drugbank_id,cas_number,name,groups,general_references,atc_codes,KEGG Drug,RxCUI,PharmGKB,PDB,Drugcentral,zinc,chembl,bindingdb,clinicaltrials,chebi,pubchem,SMILES,InChI,InChIKey
DB00001,138068-37-8,Lepirudin,approved,"['16690967', '16241940', '16244762']",B01AE02,D06880,237057,PA450195,,,,,,,,,,,
DB00002,205923-56-4,Cetuximab,approved,"['18218786', '16117976', '16428506', '29124875', '15821783', '11752352', '28653357', '20088790', '16336752']",L01XC06,D03455,318341,PA10040,,,,,,,,,,,
DB00003,143831-71-4,Dornase alfa,approved,"['8792953', '20238314', '19255515']",R05CB13,,337623,PA10318,,,,,,,,,,,
DB00004,173146-27-5,Denileukin diftitox,"['approved', 'investigational']","['17454642', '17187516']",L01XX29,,214470,PA164750594,,,,,,,,,,,
DB00005,185243-69-0,Etanercept,"['approved', 'investigational']","['10676822', '15703360', '17916444', '8387891', '27463856', '20852002']",L04AB01,D00742,214555,PA449515,,,,,,,,,,,
DB00006,128270-60-0,Bivalirudin,"['approved', 'investigational']","['11156732', '12851152', '16614733', '17381384', '16553503', '21108549', '16466327']",B01AE06,D03136,60819,PA10032,,385,,CHEMBL2103749,50248103,ANGIOX,59173,16129704,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O,"InChI=1S/C98H138N24O33/c1-5-52(4)82(96(153)122-39-15-23-70(122)92(149)114-60(30-34-79(134)135)85(142)111-59(29-33-78(132)133)86(143)116-64(43-55-24-26-56(123)27-25-55)89(146)118-67(97(154)155)40-51(2)3)119-87(144)61(31-35-80(136)137)112-84(141)58(28-32-77(130)131)113-88(145)63(42-54-18-10-7-11-19-54)117-90(147)66(45-81(138)139)110-76(129)50-107-83(140)65(44-71(100)124)109-75(128)49-106-73(126)47-104-72(125)46-105-74(127)48-108-91(148)68-21-13-38-121(68)95(152)62(20-12-36-103-98(101)102)115-93(150)69-22-14-37-120(69)94(151)57(99)41-53-16-8-6-9-17-53/h6-11,16-19,24-27,51-52,57-70,82,123H,5,12-15,20-23,28-50,99H2,1-4H3,(H2,100,124)(H,104,125)(H,105,127)(H,106,126)(H,107,140)(H,108,148)(H,109,128)(H,110,129)(H,111,142)(H,112,141)(H,113,145)(H,114,149)(H,115,150)(H,116,143)(H,117,147)(H,118,146)(H,119,144)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,154,155)(H4,101,102,103)/t52-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,82-/m0/s1",OIRCOABEOLEUMC-GEJPAHFPSA-N
DB00007,53714-56-0,Leuprolide,"['approved', 'investigational']","['1984190', '17970643', '29254389', '27826989']","['L02AE02', 'L02AE51']",D08113,42375,PA450203,,1559,,CHEMBL1201199,50369395,VIADUR,6427,657181,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1,"InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1",GFIJNRVAKGFPGQ-LIJARHBVSA-N
DB00008,198153-51-4,Peginterferon alfa-2a,"['approved', 'investigational']","['28497432', '25585348']","['L03AB11', 'L03AB61']",,120608,PA164749390,,,,,,,,,,,
DB00009,105857-23-6,Alteplase,approved,,"['B01AD02', 'S01XA13']",D02837,8410,PA164776730,,,,,,,,,,,
DB00010,86168-78-7,Sermorelin,"['withdrawn', 'approved']",,"['V04CD03', 'H01AC04']",,56188,PA164749110,,2433,,,,,,,,,
DB00011,74899-72-2,Interferon alfa-n1,"['approved', 'investigational']",,L03AB06,,202912,PA164746538,,,,,,,,,,,
DB00012,209810-58-2,Darbepoetin alfa,"['approved', 'investigational']",,B03XA02,,283838,PA164743138,,,,,,,,,,,
DB00013,9039-53-6,Urokinase,"['withdrawn', 'approved', 'investigational']","['29779246', '2931434']",B01AD04,,11055,PA451836,,,,,,,,,,,
DB00014,65807-02-5,Goserelin,approved,,L02AE03,D00573,50610,PA164747674,,1327,,CHEMBL1201247,,GOSERELIN,5523,5311128,CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,"InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1",BLCLNMBMMGCOAS-URPVMXJPSA-N
DB00015,133652-38-7,Reteplase,"['approved', 'investigational']",,B01AD07,,76895,PA164743728,,,,,,,,,,,
DB00016,11096-26-7,Erythropoietin,approved,"['18922615', '20886265', '14671225', '1752115']",B03XA01,,105694,PA10072,,,,,,,,,,,
DB00017,47931-85-1,Salmon calcitonin,"['approved', 'investigational']",,H05BA01,D00249,36118,PA448715,,2989,,,,,,,,,
DB00018,,Interferon alfa-n3,"['approved', 'investigational']",10868311,,,612937,PA164746228,,,,,,,,,,,
DB00019,208265-92-3,Pegfilgrastim,approved,"['15078138', '12010086', '27789332', '25998211', '21456630']",L03AA13,D06889,338036,PA164781387,,,,,,,,,,,
DB00020,123774-72-1,Sargramostim,"['approved', 'investigational']",,L03AA09,,69634,PA164748631,,,,,,,,,,,
DB00022,215647-85-1,Peginterferon alfa-2b,approved,"['28497432', '25585348']","['L03AB10', 'L03AB60']",,253453,PA164784024,,,,,,,,,,,
DB00023,9015-68-3,Asparaginase Escherichia coli,"['approved', 'investigational']","['5331901', '25586605', '5334543']",L01XX02,,1156,PA448492,,,,,,,,,,,
DB00024,194100-83-9,Thyrotropin alfa,"['vet_approved', 'approved']",,H01AB01,,4952,PA164746560,,,,,,,,,,,
DB00025,139076-62-3,"Antihemophilic factor, human recombinant","['approved', 'investigational']",2157,B02BD02,,1300486,PA164750168,,,,,,,,,,,
DB00026,143090-92-0,Anakinra,approved,"['11752352', '17947302']",L04AC03,D02934,72435,PA10799,,,,,,,,,,,
DB00027,1405-97-6,Gramicidin D,approved,"['10397797', '11570868', '8810522']",R02AB30,D04369,5011,PA449808,,,,CHEMBL557217,,,,45267103,CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCCO,"InChI=1S/C96H135N19O16/c1-50(2)36-71(105-79(118)48-102-93(128)80(54(9)10)103-49-117)86(121)104-58(17)84(119)113-82(56(13)14)95(130)115-83(57(15)16)96(131)114-81(55(11)12)94(129)112-78(43-62-47-101-70-33-25-21-29-66(62)70)92(127)108-74(39-53(7)8)89(124)111-77(42-61-46-100-69-32-24-20-28-65(61)69)91(126)107-73(38-52(5)6)88(123)110-76(41-60-45-99-68-31-23-19-27-64(60)68)90(125)106-72(37-51(3)4)87(122)109-75(85(120)97-34-35-116)40-59-44-98-67-30-22-18-26-63(59)67/h18-33,44-47,49-58,71-78,80-83,98-101,116H,34-43,48H2,1-17H3,(H,97,120)(H,102,128)(H,103,117)(H,104,121)(H,105,118)(H,106,125)(H,107,126)(H,108,127)(H,109,122)(H,110,123)(H,111,124)(H,112,129)(H,113,119)(H,114,131)(H,115,130)/t58-,71+,72+,73+,74+,75-,76-,77-,78-,80-,81+,82+,83-/m0/s1",NDAYQJDHGXTBJL-MWWSRJDJSA-N
DB00028,308067-58-5,Human immunoglobulin G,"['approved', 'investigational']","['20970960', '12032582', '16998749', '17911465']",,,1426680,PA164754884,,,,,,,,,,,
DB00029,81669-57-0,Anistreplase,approved,,B01AD03,,40028,PA164769075,,,,,,,,,,,
DB00030,11061-68-0,Insulin human,"['approved', 'investigational']","['14578244', '27574374', '23512415', '11118018', '18715209', '10841002']","['A10AB01', 'A10AD01', 'A10AF01', 'A10AE01', 'A10AC01']",D03230,253182,PA164744571,,,,,,,,,,,
DB00031,191588-94-0,Tenecteplase,approved,"['16488800', '16380055', '15744554', '16084152', '15650539']",B01AD11,D06070,259280,PA164776757,,,,,,,,,,,
DB00032,9002-68-0,Menotropins,approved,,"['G03GA02', 'G03GA03']",,,PA164749406,,,,,,,,,,,
DB00033,98059-61-1,Interferon gamma-1b,"['approved', 'investigational']","['11900986', '1902591', '55526', '14525967', '15978', '16375755', '12401479', '3458', '6180322', '15638726', '15361241']",,,5882,PA164746386,,,,,,,,,,,
DB00034,76543-88-9,Interferon alfa-2a,"['approved', 'investigational']",,L03AB04,,5879,PA164779048,,,,,,,,,,,
DB00035,16679-58-6,Desmopressin,approved,"['15373927', '8222299', '3893256', '18690973', '11380629']",H01BA02,D00291,3251,PA449237,,817,,CHEMBL1429,50205308,CONCENTRAID,4450,5311065,NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O,"InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1",NFLWUMRGJYTJIN-PNIOQBSNSA-N
DB00036,102786-61-8,Coagulation factor VIIa Recombinant Human,approved,"['15728810', '10584732', '2155', '16418464', '15328151']",B02BD08,D00172,253149,PA164748389,,,,,,,,,,,
DB00038,145941-26-0,Oprelvekin,"['approved', 'investigational']",,L03AC02,,1311380,PA164747991,,,,,,,,,,,
DB00039,162394-19-6,Palifermin,approved,"['19707400', '8663044', '11422746']",V03AF08,,196319,PA164744014,,,,,,,,,,,
DB00040,16941-32-5,Glucagon,approved,"['12626323', '24370975', '659632']",H04AA01,D00116,261716,PA164779052,,,,,,,,,,,
DB00041,110942-02-4,Aldesleukin,approved,,L03AC01,,70223,PA448081,,,,,,,,,,,
DB00042,93384-44-2,Botulinum toxin type B,"['approved', 'investigational']","['15887434', '15907915', '15839401', '15928517', '10534247']",M03AX01,D02735,860178,PA164747061,,,,,,,,,,,
DB00043,242138-07-4,Omalizumab,"['approved', 'investigational']","['16478695', '26288408', '18774392', '18489791', '25849503']",R03DX05,,302379,PA164752253,,,,,,,,,,,
DB00044,152923-57-4,Lutropin alfa,approved,"['18627209', '1122882', '11476792', '3972', '20161981']",G03GA07,,388084,PA164750539,,,,,,,,,,,
DB00045,,Lyme disease vaccine (recombinant OspA),"['withdrawn', 'approved']",,,,54214,PA164743058,,,,,,,,,,,
DB00046,133107-64-9,Insulin lispro,approved,"['9219705', '7958544', '17026485', '18454569', '29654514', '8314011', '1438163']","['A10AB04', 'A10AC04', 'A10AD04']",D04477,314684,PA164747059,,,,,,,,,,,
DB00047,160337-95-1,Insulin glargine,approved,"['12860485', '22617471', '30302721', '12904090', '26509843', '18715209', '16049868', '16805721', '15525480', '12324987']","['A10AE04', 'A10AE54']",D03250,274783,PA449992,,,,,,,,,,,
DB00048,9001-12-1,Collagenase clostridium histolyticum,"['approved', 'investigational']","['30792820', '21971540', '30931150', '4312', '4317', '24267421', '6282982', '26201462']","['D03BA52', 'D03BA02', 'M09AB02']",,58939,PA449107,,,,,,,,,,,
DB00049,134774-45-1,Rasburicase,"['approved', 'investigational']","['20394650', '20445229']","['V03AF07', 'M04AX01']",,283821,PA10176,,,,,,,,,,,
DB00050,120287-85-6,Cetrorelix,"['approved', 'investigational']",,H01CC02,D07665,68147,PA164764506,,583,,CHEMBL1200490,50369965,CETRORELIX ACETATE,59224,25074887,CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,"InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1",SBNPWPIBESPSIF-MHWMIDJBSA-N
DB00051,331731-18-1,Adalimumab,"['experimental', 'approved']","['16011443', '23205329', '17359217', '12884458', '28653357', '18360621', '17149453']",L04AB04,D02597,327361,PA10004,,,,,,,,,,,
DB00052,12629-01-5,Somatotropin,"['approved', 'investigational']","['29197220', '22291494', '2380341', '29025199', '17634080', '3047155']",H01AC01,,314845,PA451446,,,,,,,,,,,
DB00053,154248-97-2,Imiglucerase,approved,20301446,A16AB02,D02810,84959,PA164742934,,,,,,,,,,,
DB00054,143653-53-6,Abciximab,approved,"['12939213', '8121459']",B01AC13,D02778,83929,PA448006,,,,,,,,,,,
DB00055,98530-76-8,Drotrecogin alfa,"['withdrawn', 'approved', 'investigational']",,B01AD10,,352374,PA131548935,,,,,,,,,,,
DB00056,220578-59-6,Gemtuzumab ozogamicin,"['approved', 'investigational']","['15286091', '11410481', '12738663', '11466696']",L01XC05,,1294580,PA164749431,,,,,,,,,,,
DB00057,138955-27-8,Indium In-111 satumomab pendetide,"['withdrawn', 'experimental']","['9755434', '12845972']",V09IB02,,,PA164745371,,,,,,,,,,,
DB00058,9041-92-3,Alpha-1-proteinase inhibitor,approved,16773239,B02AB02,,535,PA10308,,,,,,,,,,,
DB00059,130167-69-0,Pegaspargase,"['approved', 'investigational']",14499708,L01XX24,,34132,PA164760860,,,,,,,,,,,
DB00060,145258-61-3,Interferon beta-1a,"['approved', 'investigational']",,L03AB07,,75917,PA450037,,,,,,,,,,,
DB00061,130167-68-9,Pegademase,approved,,L03AX04,,59768,PA450831,,,,,,,,,,,
DB00062,9048-46-8,Albumin human,approved,"['10718550', '20586704', '24333308', '12846933', '29083605']",B05AA01,,828529,PA164743293,,,,,,,,,,,
DB00063,188627-80-7,Eptifibatide,"['approved', 'investigational']",14728062,B01AC16,,75635,PA449483,,1040,,,,,,,,,
DB00065,170277-31-3,Infliximab,approved,"['10228190', '14985485', '20608753', '17655372']",L04AB02,,1790539,PA452639,,,,,,,,,,,
DB00066,146479-72-3,Follitropin,approved,18020563,"['G03GA10', 'G03GA06', 'G03GA05']",,227518,PA449693,,,,,,,,,,,
DB00067,11000-17-2,Vasopressin,approved,"['30800291', '7545469', '17122081', '25384691', '24621650', '14647484', '15555506', '29480411', '17083331']",,D00101,11149,PA451858,,,,,,,,11979316,NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O.NC1CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O,"InChI=1S/C46H65N15O12S2.C46H65N13O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25;47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53);1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)",JLTCWSBVQSZVLT-UHFFFAOYSA-N
DB00068,145155-23-3,Interferon beta-1b,approved,9890522,L03AB08,D00746,72258,PA450039,,,,,,,,,,,
DB00069,118390-30-0,Interferon alfacon-1,"['approved', 'investigational']",8836913,L03AB09,,59744,PA164749376,,,,,,,,,,,
DB00070,488712-31-8,Hyaluronidase (ovine),"['approved', 'investigational']",10493834,,,486164,PA164745713,,,,,,,,,,,
DB00071,12584-58-6,Insulin pork,approved,,"['A10AE03', 'A10AB03', 'A10AD03', 'A10AC03']",,221109,PA164781053,,,,,,,,,,,
DB00072,180288-69-1,Trastuzumab,"['approved', 'investigational']","['23474221', '24906530', '22720269', '11329054', '14528282', '14613027', '12908564', '14750129', '21632460']",L01XC03,D03257,224905,PA451743,,,,,,,,,,,
DB00073,174722-31-7,Rituximab,approved,"['9704735', '15795920', '16705086', '28653357', '20729962', '15201414']",L01XC02,,121191,PA451261,,,,,,,,,,,
DB00074,179045-86-4,Basiliximab,"['approved', 'investigational']",,L04AC02,,196102,PA164747126,,,,,,,,,,,
DB00075,140608-64-6,Muromonab,"['approved', 'investigational']",,L04AA02,D05092,42405,PA164743097,,,,,,,,,,,
DB00076,,Digoxin Immune Fab (Ovine),approved,,V03AB24,,1745257,PA164769030,,,,,,,,,,,
DB00078,206181-63-7,Ibritumomab tiuxetan,"['approved', 'investigational']",,V10XX02,,262323,PA164781375,,,,,,,,,,,
DB00080,103060-53-3,Daptomycin,"['approved', 'investigational']","['16805723', '16914701', '1667253', '15540967', '27288182', '15898002', '15535984', '32565355', '1687346', '32687352', '28142234', '11020247', '2168145', '2821889', '12654665', '32526177', '1318678', '29059358', '32193379', '1666494']",J01XX09,D01080,22299,PA164768820,,783,,CHEMBL4744444,,,,101589918,CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)C2=CC=CC=C2N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)[C@H](C)CC(O)=O,"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45-,46+,47+,48+,49+,50-,60+,61+/m1/s1",DOAKLVKFURWEDJ-QCMAZARJSA-N
DB00081,208921-02-2,Tositumomab,"['approved', 'investigational']",,V10XA53,,263010,PA164748364,,,,,,,,,,,
DB00082,218620-50-9,Pegvisomant,approved,,H01AX01,,278739,PA164749630,,,,,,,,,,,
DB00083,93384-43-1,Botulinum toxin type A,"['approved', 'investigational']","['20300354', '15887434', '15907915', '15839401', '32491319', '16782822', '26157630', '15928517', '31114283', '15265242', '26213970', '23515199', '20418969', '10534247']",M03AX01,D00783,1000104,PA164754825,,,,,,,,,,,
DB00085,53608-75-6,Pancrelipase,"['approved', 'investigational']","['22936895', '20510825', '21086085']",A09AA02,D05349,235379,PA448428,,,,,,,,,,,
DB00086,9002-01-1,Streptokinase,"['approved', 'investigational']",,"['B01AD01', 'B06AA55']",,10106,PA164754919,,,,,,,,,,,
DB00087,216503-57-0,Alemtuzumab,"['approved', 'investigational']","['6349718', '3127726']",L04AA34,,117055,PA164783958,,,,,,,,,,,
DB00088,143003-46-7,Alglucerase,"['approved', 'investigational']",19265748,A16AB01,,46049,PA164748093,,,,,,,,,,,
DB00089,145464-28-4,Capromab pendetide,approved,,V09IB04,,136300,PA164745489,,,,,,,,,,,
DB00090,210589-09-6,Laronidase,approved,"['19117887', '18251718']",A16AB05,,392509,PA164776670,,,,,,,,,,,
DB00091,59865-13-3,Cyclosporine,"['vet_approved', 'approved', 'investigational']","['22323881', '2060139', '1502562', '23922006', '15041303', '11472356', '7545467', '28315447', '8196726', '3155592', '29319493', '24682697', '27747732', '24300231', '9458024', '7691501']","['L04AD01', 'S01XA18']",D00184,3008,PA449167,,760,,CHEMBL160,50022815,GENGRAF,4031,5284373,CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1",PMATZTZNYRCHOR-CGLBZJNRSA-N
DB00092,222535-22-0,Alefacept,"['withdrawn', 'approved', 'investigational']","['16673801', '16713481', '16865867']",L04AA15,,299635,PA164748040,,,,,,,,,,,
DB00093,56-59-7,Felypressin,experimental,17177590,,,4319,PA164744374,,4910,,,,,,,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,"InChI=1S/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",SFKQVVDKFKYTNA-DZCXQCEKSA-N
DB00094,97048-13-0,Urofollitropin,"['vet_approved', 'approved']",18020563,G03GA04,,134404,PA451835,,,,,,,,,,,
DB00095,214745-43-4,Efalizumab,"['approved', 'investigational']","['8943405', '17053736']",L04AA21,,356988,PA164748817,,,,,,,,,,,
DB00097,177073-44-8,Choriogonadotropin alfa,approved,"['10636378', '12928375']",G03GA08,,283550,PA164783947,,,,,,,,,,,
DB00098,308067-60-9,Antithymocyte immunoglobulin (rabbit),approved,,L04AA04,,107044,PA164743704,,,,,,,,,,,
DB00099,121181-53-1,Filgrastim,approved,"['11677930', '20881223', '18400509', '24237790']",L03AA02,D03235,1433764,PA449626,,,,,,,,,,,
DB00100,181054-95-5,Coagulation Factor IX (Recombinant),"['approved', 'investigational']","['12997790', '6959130']",,,1300488,PA164744952,,,,,,,,,,,
DB00102,165101-51-9,Becaplermin,"['approved', 'investigational']",,"['D03AX06', 'A01AD08']",,115238,PA164749511,,,,,,,,,,,
DB00103,,Agalsidase beta,"['approved', 'investigational']","['25010055', '22768187', '30775256', '21698655', '28510034']",A16AB04,,338817,PA164746527,,,,,,,,,,,
DB00104,83150-76-9,Octreotide,"['approved', 'investigational']","['28091879', '1976930', '2689136', '12874677']",H01CB02,D00442,7617,PA450678,,1980,,,,,,,[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H](N)CC1=CC=CC=C1)[C@@H](C)O,"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1",DEQANNDTNATYII-OULOTJBUSA-N
DB00105,98530-12-2,Interferon alfa-2b,approved,8994971,L03AB05,,5880,PA164783990,,,,,,,,,,,
DB00106,183552-38-7,Abarelix,"['withdrawn', 'approved', 'investigational']",,L02BX01,D02738,301739,PA164754915,,35,,CHEMBL1252,50102442,R-3827,337298,16131215,CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,"InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1",AIWRTTMUVOZGPW-HSPKUQOVSA-N
DB00107,50-56-6,Oxytocin,"['vet_approved', 'approved']","['15931222', '11134819', '32912963', '14101450', '3782434', '24888645', '29939625', '15316117', '11274341', '32959027', '9065134', '11753505', '5662967', '28867943', '24676493', '27463109', '27713231', '16249339', '31399062', '30253045', '12093924']","['G02AC01', 'H01BB02']",D00089,7824,PA450760,,2042,,,,,,,,,
DB00108,189261-10-7,Natalizumab,"['approved', 'investigational']",12510039,L04AA23,,354770,PA164747191,,,,,,,,,,,
DB00109,159519-65-0,Enfuvirtide,"['approved', 'investigational']",15231762,J05AX07,,139896,PA164744517,,1010,,,,,,,,,
DB00110,188039-54-5,Palivizumab,"['approved', 'investigational']",,J06BB16,,194279,PA164748781,,,,,,,,,,,
DB00111,152923-56-3,Daclizumab,"['withdrawn', 'investigational']",,L04AC01,D03639,190353,PA164764446,,,,,,,,,,,
DB00112,216974-75-3,Bevacizumab,"['approved', 'investigational']","['11970755', '23419196', '17409907', '28801849', '28653357', '18205003', '25560066', '30030240', '20608753', '31474863', '15338755', '20688807', '21653826', '23208836', '26131438', '15057295', '29362402', '28660302', '25568148', '27329360', '29798953', '28056756', '29877608', '20363017']",L01XC07,,253337,PA130232992,,,,,,,,,,,
DB00113,154361-49-6,Technetium Tc-99m arcitumomab,experimental,,V09IA06,,230435,PA164746540,,,,,,,,,,,
DB00114,54-47-7,Pyridoxal phosphate,"['approved', 'nutraceutical', 'investigational']",,A11HA06,D00006,9004,PA164749650,PLP,3506,ZINC000001532514,CHEMBL82202,50118216,PYRIDOXAL 5-PHOSPHATE,18405,1051,CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O,"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)",NGVDGCNFYWLIFO-UHFFFAOYSA-N
DB00115,68-19-9,Cyanocobalamin,"['approved', 'nutraceutical']","['8710919', '11863489', '10742986', '10448521', '23539619', '28137297', '12390080', '10466189', '8534956', '16531614', '24455309', '3295013', '14616423', '22254022', '16760376', '16531613']","['B03BA51', 'B03BA01', 'B03AE01']",D00166,11248,PA451892,CNC,,,,,,17439,,C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",RMRCNWBMXRMIRW-WZHZPDAFSA-L
DB00116,135-16-0,Tetrahydrofolic acid,nutraceutical,,,,,PA164745110,,,,CHEMBL2021342,,,20506,135444742,NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1",MSTNYGQPCMXVAQ-KIYNQFGBSA-N
DB00117,71-00-1,Histidine,"['nutraceutical', 'investigational']",,,D00032,5340,PA449882,HIS,1377,ZINC000006661227,CHEMBL17962,7953,L-HISTIDINE,15971,6971009,N[C@@H](CC1=CNC=N1)C(O)=O,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",HNDVDQJCIGZPNO-YFKPBYRVSA-N
DB00118,29908-03-0,Ademetionine,"['approved', 'nutraceutical', 'investigational']","['10720211', '16766004', '8647346', '10762063', '16545107']",A16AA02,,9504,PA164754994,SAM,2414,,CHEMBL1088977,28422,TRANSMETIL,67040,34755,C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1",MEFKEPWMEQBLKI-AIRLBKTGSA-N
DB00119,127-17-3,Pyruvic acid,"['approved', 'nutraceutical', 'investigational']",,,,35161,PA164778686,PYR,,ZINC000001532517,CHEMBL1162144,19473,,32816,1060,CC(=O)C(O)=O,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)",LCTONWCANYUPML-UHFFFAOYSA-N
DB00120,63-91-2,Phenylalanine,"['approved', 'nutraceutical', 'investigational']",,,D00021,8156,PA450931,PHE,2144,ZINC000000105196,CHEMBL301523,18073,PHENYLALANINE,17295,6925665,N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1",COLNVLDHVKWLRT-QMMMGPOBSA-N
DB00121,58-85-5,Biotin,"['approved', 'nutraceutical', 'investigational']",15690449,A11HA05,D00029,1588,PA448625,BTN,373,ZINC000035024346,CHEMBL857,12,MD-1003,15956,171548,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1",YBJHBAHKTGYVGT-ZKWXMUAHSA-N
DB00122,62-49-7,Choline,"['approved', 'nutraceutical']",,,D07690,2449,PA448976,CHT,3097,ZINC000003079337,CHEMBL920,50026220,CHOLINE,15354,305,C[N+](C)(C)CCO,"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",OEYIOHPDSNJKLS-UHFFFAOYSA-N
DB00123,56-87-1,Lysine,"['approved', 'nutraceutical']",640102,"['B05XB03', 'V03AF11']",D02304,6536,PA450280,LYS,1622,ZINC000001532522,CHEMBL8085,217367,LYSINE,133538,71774817,NCCCC[C@H](N)C(O)=O,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",KDXKERNSBIXSRK-YFKPBYRVSA-N
DB00125,74-79-3,Arginine,"['nutraceutical', 'investigational']","['15465778', '16391217', '2903866']","['V03AF11', 'B05XB01']",D02982,1091,PA448478,ARG,1549,ZINC000001532525,CHEMBL1485,21959,L-ARGININE,16467,28782,N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",ODKSFYDXXFIFQN-BYPYZUCNSA-N
DB00126,50-81-7,Ascorbic acid,"['approved', 'nutraceutical']","['5477017', '8144521', '3015170', '12569111', '14642847', '11458272']","['G01AD03', 'S01XA15', 'A11GB01', 'A11GA01']",D00018,1151,PA451898,ASC,4072,ZINC000100006770,CHEMBL196,,ASCORBIC ACID,29073,54670067,[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",CIWBSHSKHKDKBQ-JLAZNSOCSA-N
DB00127,71-44-3,Spermine,"['experimental', 'nutraceutical']",,,,1483263,PA164781199,SPM,,ZINC000001532734,CHEMBL23194,79403,SPERMINE,15746,1103,NCCCNCCCCNCCCN,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",PFNFFQXMRSDOHW-UHFFFAOYSA-N
DB00128,56-84-8,Aspartic acid,"['approved', 'nutraceutical']",,,D00013,1169,PA448494,IAS,1550,ZINC000000895032,CHEMBL274323,18125,L-ASPARTIC ACID,17053,5960,N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",CKLJMWTZIZZHCS-REOHCLBHSA-N
DB00129,70-26-8,Ornithine,"['approved', 'nutraceutical']",,A05BA06,,7704,PA164783814,ORN,3401,ZINC000001532530,CHEMBL446143,50487430,ORNITHINE PHENYLACETATE,15729,6262,NCCC[C@H](N)C(O)=O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",AHLPHDHHMVZTML-BYPYZUCNSA-N
DB00130,56-85-9,L-Glutamine,"['approved', 'nutraceutical', 'investigational']","['9488531', '11408280', '10483898', '1903318']",A16AA03,D00015,4885,PA10090,GLN,1311,ZINC000001532526,CHEMBL930,18121,ENDARI,58359,5961,N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",ZDXPYRJPNDTMRX-VKHMYHEASA-N
DB00131,61-19-8,Adenosine phosphate,"['approved', 'nutraceutical', 'investigational']",,,D02769,309,PA164744376,AMP,92,ZINC000003860156,CHEMBL752,18137,5'-ADENYLIC ACID,16027,6083,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",UDMBCSSLTHHNCD-KQYNXXCUSA-N
DB00132,463-40-1,alpha-Linolenic acid,"['approved', 'nutraceutical', 'investigational']","['10617967', '12438303', '10775263', '11157315', '15051847']",,,52071,PA449384,LNL,4618,ZINC000003802189,CHEMBL8739,50240347,,27432,5280934,CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",DTOSIQBPPRVQHS-PDBXOOCHSA-N
DB00133,56-45-1,Serine,"['nutraceutical', 'investigational']",,,D00016,9671,PA451330,SER,4127,ZINC000000895034,CHEMBL11298,50357212,SERINE,33384,5951,N[C@@H](CO)C(O)=O,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",MTCFGRXMJLQNBG-REOHCLBHSA-N
DB00134,63-68-3,Methionine,"['approved', 'nutraceutical']",,V03AB26,D00019,6837,PA450423,MET,3347,ZINC000001532529,CHEMBL42336,50142500,L-METHIONINE,16643,6992087,CSCC[C@H](N)C(O)=O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",FFEARJCKVFRZRR-BYPYZUCNSA-N
DB00135,60-18-4,Tyrosine,"['approved', 'nutraceutical', 'investigational']","['17046811', '16221230', '16298866']",,D00022,10962,PA451822,TYR,2786,ZINC000000266964,CHEMBL925,18129,TYROSINE,17895,6942100,N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",OUYCCCASQSFEME-QMMMGPOBSA-N
DB00136,32222-06-3,Calcitriol,"['approved', 'nutraceutical']","['12528991', '26276877', '23713873', '17396166', '28429545', '18844841', '16278401', '7827399']","['D05AX03', 'A11CC04']",D00129,1894,PA448717,VDX,466,ZINC000100015048,CHEMBL846,50200182,RO 21-5535,17823,5280453,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",GMRQFYUYWCNGIN-NKMMMXOESA-N
DB00137,127-40-2,Lutein,"['approved', 'nutraceutical', 'investigational']","['20830634', '20355006']",,,11359,PA164748318,LUT,4145,ZINC000008221225,CHEMBL173929,,XANTHOPHYLL,28838,5281243,C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1",KBPHJBAIARWVSC-RGZFRNHPSA-N
DB00138,56-89-3,Cystine,"['approved', 'nutraceutical']",,,D03636,3036,PA449176,,4130,ZINC000001532673,CHEMBL590540,,L-CYSTINE,16283,6992103,N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1",LEVWYRKDKASIDU-IMJSIDKUSA-N
DB00139,110-15-6,Succinic acid,"['approved', 'nutraceutical']",,,,37255,PA164747739,SIN,2487,ZINC000000895030,CHEMBL576,26121,SUCCINIC ACID,15741,1110,OC(=O)CCC(O)=O,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",KDYFGRWQOYBRFD-UHFFFAOYSA-N
DB00140,83-88-5,Riboflavin,"['vet_approved', 'approved', 'nutraceutical', 'investigational']",8604671,"['A11HA04', 'S01XA26']",D00050,9346,PA451242,RBF,2834,ZINC000002036848,CHEMBL1534,50362895,RIBOFLAVIN,17015,493570,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",AUNGANRZJHBGPY-SCRDCRAPSA-N
DB00141,7512-17-6,N-Acetylglucosamine,"['approved', 'nutraceutical', 'investigational']",,,,1362871,PA164752287,NAG,4615,ZINC000002077807,CHEMBL4303483,,,17411,1738118,[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1",MBLBDJOUHNCFQT-LXGUWJNJSA-N
DB00142,56-86-0,Glutamic acid,"['approved', 'nutraceutical']","['10736365', '7901400', '17202478', '10736373', '15939876']",A09AB01,D00007,25916,PA449776,GGL,1310,ZINC000001482113,CHEMBL575060,17657,GLUTAMIC ACID,16015,44272391,N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",WHUUTDBJXJRKMK-VKHMYHEASA-N
DB00143,70-18-8,Glutathione,"['approved', 'nutraceutical', 'investigational']","['15955607', '8207209', '16427183', '14988435', '1362956']",V03AB32,D00014,4890,PA449780,GSH,1312,ZINC000003830891,CHEMBL1543,50422268,L-GLUTATHIONE REDUCED,16856,124886,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",RWSXRVCMGQZWBV-WDSKDSINSA-N
DB00144,1446756-47-3,Phosphatidyl serine,"['nutraceutical', 'investigational']",,,,89959,PA164768860,P5S,,ZINC000085588270,CHEMBL4297669,,PHOSPHATIDYL SERINE,84519,9547096,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1",TZCPCKNHXULUIY-RGULYWFUSA-N
DB00145,56-40-6,Glycine,"['vet_approved', 'approved', 'nutraceutical']",,B05CX03,D00011,4919,PA449789,GLY,1319,ZINC000004658552,CHEMBL773,18133,GLYCINE,57305,750,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N
DB00146,19356-17-3,Calcifediol,"['approved', 'nutraceutical']",,A11CC06,,1855064,PA164745614,VDY,464,ZINC000004474414,CHEMBL1040,50521013,CALCIFEDIOL,17933,5283731,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-DTOXIADCSA-N
DB00147,66-72-8,Pyridoxal,"['experimental', 'nutraceutical']",,,,9002,PA164749166,PXL,,ZINC000000120249,CHEMBL102970,50366979,PYRIDOXAL,17310,1050,CC1=NC=C(CO)C(C=O)=C1O,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",RADKZDMFGJYCBB-UHFFFAOYSA-N
DB00148,57-00-1,Creatine,"['approved', 'nutraceutical', 'investigational']","['11600695', '10683092', '14669930', '12974658', '8828669']",,,2907,PA164778930,CRN,4661,ZINC000003861770,CHEMBL283800,50357229,CREATINE,57947,586,CN(CC(O)=O)C(N)=N,"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)",CVSVTCORWBXHQV-UHFFFAOYSA-N
DB00149,61-90-5,Leucine,"['nutraceutical', 'investigational']",,,D00030,6308,PA450197,LEU,1557,ZINC000003645145,CHEMBL291962,50219348,L-LEUCINE,15603,7045798,CC(C)C[C@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",ROHFNLRQFUQHCH-YFKPBYRVSA-N
DB00150,73-22-3,Tryptophan,"['withdrawn', 'approved', 'nutraceutical']",,N06AX02,D00020,10898,PA10323,TRP,2780,ZINC000000083315,CHEMBL54976,21974,L-TRYPTOPHAN,16828,6305,N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",QIVBCDIJIAJPQS-VIFPVBQESA-N
DB00151,52-90-4,Cysteine,"['approved', 'nutraceutical']","['3298579', '9636038']",,D00026,3024,PA449173,CYS,769,ZINC000000895042,CHEMBL863,50109609,L-CYSTEINE,35235,6419722,N[C@@H](CS)C(O)=O,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",XUJNEKJLAYXESH-REOHCLBHSA-N
DB00152,70-16-6,Thiamine,"['vet_approved', 'approved', 'nutraceutical', 'investigational']","['606152', '16550223', '603941', '12195231', '249270']",A11DA01,D08580,10454,PA451652,VIB,,ZINC000000049153,CHEMBL1547,50373877,THIAMINE CHLORIDE HYDROCHLORIDE,18385,1130,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",JZRWCGZRTZMZEH-UHFFFAOYSA-N
DB00153,50-14-6,Ergocalciferol,"['approved', 'nutraceutical']","['20662333', '27940098', '23735861', '24719588', '29080648']",A11CC01,D00187,4018,PA449484,D2V,2838,ZINC000004629876,CHEMBL1536,50247883,OSTELIN,28934,5280793,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1",MECHNRXZTMCUDQ-RKHKHRCZSA-N
DB00154,1783-84-2,Dihomo-gamma-linolenic acid,"['nutraceutical', 'investigational']",,,,,PA164743249,LAX,,ZINC000004521470,CHEMBL465183,50269534,DS-107G,53486,5280581,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-",HOBAELRKJCKHQD-QNEBEIHSSA-N
DB00155,372-75-8,Citrulline,"['nutraceutical', 'investigational']",,,D07706,2567,PA164747225,CIR,3103,ZINC000001532614,CHEMBL444814,92903,CITRULLINE MALATE,16349,6992098,N[C@@H](CCCNC(N)=O)C(O)=O,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",RHGKLRLOHDJJDR-BYPYZUCNSA-N
DB00156,72-19-5,Threonine,"['approved', 'nutraceutical']",,,D00041,10524,PA451673,THR,4254,ZINC000000895103,CHEMBL291747,,THREONINE,16857,6288,C[C@@H](O)[C@H](N)C(O)=O,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1",AYFVYJQAPQTCCC-GBXIJSLDSA-N
DB00157,58-68-4,NADH,"['approved', 'nutraceutical']","['17465726', '17295611', '218616', '12648681', '17161604']",,,7222,PA164755085,NAI,,ZINC000008215403,CHEMBL1234616,,,16908,439153,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",BOPGDPNILDQYTO-NNYOXOHSSA-N
DB00158,59-30-3,Folic acid,"['vet_approved', 'approved', 'nutraceutical']","['15309159', '8235383', '7738698', '8005024', '21595178', '9683174', '10138938', '9420019']","['B03AE01', 'B03BB51', 'V04CX02', 'B03BB01', 'B03AE02']",D00070,4511,PA449692,FOL,1231,ZINC000008577218,CHEMBL1622,50237629,FOLACIN,27470,135398658,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1",OVBPIULPVIDEAO-LBPRGKRZSA-N
DB00159,10417-94-4,Icosapent,"['approved', 'nutraceutical']",21683321,,D08061,90,PA164746077,EPA,3174,ZINC000004474603,CHEMBL460026,50242349,ICOSAPENT,28364,446284,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",JAZBEHYOTPTENJ-JLNKQSITSA-N
DB00160,56-41-7,Alanine,nutraceutical,,,D00012,426,PA448055,ALA,4255,ZINC000004658553,CHEMBL279597,50000099,,57972,5950,C[C@H](N)C(O)=O,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1",QNAYBMKLOCPYGJ-REOHCLBHSA-N
DB00161,72-18-4,Valine,"['approved', 'nutraceutical']",,,D00039,11115,PA451843,VAL,4128,ZINC000000895099,CHEMBL43068,50463208,VALINE,16414,6287,CC(C)[C@H](N)C(O)=O,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",KZSNJWFQEVHDMF-BYPYZUCNSA-N
DB00162,68-26-8,Vitamin A,"['vet_approved', 'approved', 'nutraceutical']","['16513513', '30422511', '16469975']","['V04CB01', 'D10AD02', 'S01XA02', 'A11CA01', 'R01AX02']",D00069,11246,PA451884,RTL,2831,ZINC000003831417,CHEMBL986,50092056,VITAMIN A,17336,445354,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",FPIPGXGPPPQFEQ-OVSJKPMPSA-N
DB00163,59-02-9,Vitamin E,"['vet_approved', 'approved', 'nutraceutical']","['11579997', '19133328', '28262916', '16641396', '29165370', '15537682', '12840655', '15817846', '2181082', '20166147', '10385606', '6646880', '26706242', '27493840']",,,11256,PA451900,VIV,4280,ZINC000004095858,CHEMBL47,50458513,,18145,14985,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",GVJHHUAWPYXKBD-IEOSBIPESA-N
DB00165,65-23-6,Pyridoxine,"['vet_approved', 'approved', 'nutraceutical', 'investigational']","['16157873', '3541289', '17224143']","['A11HA02', 'J04AM08']",,42954,PA451897,UEG,2836,ZINC000000049154,CHEMBL1364,50103505,PYRIDOXINE,16709,1054,CC1=C(O)C(CO)=C(CO)C=N1,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",LXNHXLLTXMVWPM-UHFFFAOYSA-N
DB00166,1200-22-2,Lipoic acid,"['approved', 'nutraceutical', 'investigational']","['14854913', '10966480']",A16AX01,D00086,6417,PA164776929,LPA,,ZINC000001544807,CHEMBL134342,50106731,,30314,6112,OC(=O)CCCC[C@@H]1CCSS1,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1",AGBQKNBQESQNJD-SSDOTTSWSA-N
DB00167,73-32-5,Isoleucine,"['nutraceutical', 'investigational']",,,D00065,6033,PA164750430,ILE,4129,ZINC000003581355,CHEMBL1233584,18140,L-ISOLEUCINE,58045,7043901,CC[C@H](C)[C@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",AGPKZVBTJJNPAG-WHFBIAKZSA-N
DB00168,22839-47-0,Aspartame,"['nutraceutical', 'investigational']",,,D02381,1311524,PA448493,PME,,ZINC000001532132,CHEMBL171679,50240005,SC-18862,2877,134601,COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O,"InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1",IAOZJIPTCAWIRG-QWRGUYRKSA-N
DB00169,67-97-0,Cholecalciferol,"['approved', 'nutraceutical']","['22936122', '15531486', '24915331', '19803923', '15585789', '24885631', '28346348']","['A11CC05', 'M05BB05', 'M05BB09', 'M05BB07', 'A11CC55', 'M05BB03', 'M05BX53', 'M05BB08', 'M05BB04']",D00188,1244014,PA164748138,VD3,2840,ZINC000004474460,CHEMBL1042,50030475,DELSTEROL,28940,5280795,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1",QYSXJUFSXHHAJI-YRZJJWOYSA-N
DB00170,58-27-5,Menadione,"['approved', 'nutraceutical']",,B02BA02,D02335,6728,PA450358,VK3,1683,ZINC000000001677,CHEMBL590,24778,MENADIONE,28869,4055,CC1=CC(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",MJVAVZPDRWSRRC-UHFFFAOYSA-N
DB00171,56-65-5,ATP,"['nutraceutical', 'investigational']","['15255886', '11772', '3537318', '1645933', '3528161']",,D08646,318,PA164743471,ATP,91,ZINC000004261765,CHEMBL14249,2,ADENOSINE TRIPHOSPHATE,15422,5957,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",ZKHQWZAMYRWXGA-KQYNXXCUSA-N
DB00172,147-85-3,Proline,nutraceutical,,,D00035,8737,PA451125,PRO,4125,ZINC000000895360,CHEMBL54922,50000100,PROLINE,60039,145742,OC(=O)[C@@H]1CCCN1,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",ONIBWKKTOPOVIA-BYPYZUCNSA-N
DB00173,73-24-5,Adenine,"['approved', 'nutraceutical']",,,D00034,290,PA448048,ADE,89,ZINC000000000882,CHEMBL226345,50228485,ADENINE,16708,190,NC1=C2NC=NC2=NC=N1,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",GFFGJBXGBJISGV-UHFFFAOYSA-N
DB00174,70-47-3,Asparagine,"['approved', 'nutraceutical', 'investigational']",,,,1157,PA164776968,41Q,4126,ZINC000001532556,CHEMBL58832,181137,ASPARAGINE,58048,6267,N[C@@H](CC(N)=O)C(O)=O,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",DCXYFEDJOCDNAF-REOHCLBHSA-N
DB00175,81093-37-0,Pravastatin,approved,"['28831316', '11192473', '28213601', '2106337', '29067253', '28613530', '25591572', '17516697', '11298482']","['C10BX02', 'C10AA03', 'C10BA03']",D08410,42463,PA451089,,2239,ZINC000003798763,CHEMBL1144,20688,PRAVASTATIN SODIUM,63618,54687,[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",TUZYXOIXSAXUGO-PZAWKZKUSA-N
DB00176,54739-18-3,Fluvoxamine,"['approved', 'investigational']","['23338224', '18568110', '16316311']",N06AB08,,42355,PA449690,FVX,1230,ZINC000003872605,CHEMBL814,50028091,N06AB08,5138,5324346,COCCCC\C(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+",CJOFXWAVKWHTFT-XSFVSMFZSA-N
DB00177,137862-53-4,Valsartan,"['approved', 'investigational']","['21142805', '28449828', '28093841', '29111106', '10449890', '12126767', '14610160', '15991938', '22538956', '24195695', '15520426', '11565518', '16192110', '23256914', '18378520', '19911855']","['C09DB01', 'C10BX10', 'C09DA03', 'C09DX05', 'C09DB08', 'C09DX01', 'C09CA03', 'C09DX02', 'C09DX04']",D00400,69749,PA451848,,2806,ZINC000003875259,CHEMBL1069,50049186,CGP 48933,9927,60846,CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O,"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1",ACWBQPMHZXGDFX-QFIPXVFZSA-N
DB00178,87333-19-5,Ramipril,approved,"['9510492', '23747952', '8137599', '10485736']","['C09BX03', 'C10BX06', 'C09BB05', 'C10BX04', 'C09BB07', 'C09AA05', 'C10BX17', 'C09BA05']",D00421,35296,PA451223,,2356,ZINC000003798757,CHEMBL1168,50084681,HOE 498,8774,5362129,[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC,"InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1",HDACQVRGBOVJII-JBDAPHQKSA-N
DB00179,27686-84-6,Masoprocol,"['approved', 'investigational']",,L01XX10,D04862,227239,PA164746493,,1637,ZINC000000012342,CHEMBL313972,22372,MESO-NDGA,73468,71398,C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+",HCZKYJDFEPMADG-TXEJJXNPSA-N
DB00180,3385-03-3,Flunisolide,"['approved', 'investigational']",,"['R03BA03', 'R01AD04']",,1546428,PA449661,,1201,ZINC000004097305,CHEMBL1512,50248007,FLUNISOLIDE,5106,82153,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",XSFJVAJPIHIPKU-XWCQMRHXSA-N
DB00181,1134-47-0,Baclofen,approved,"['30023142', '15350152', '22559224', '30459646', '28822350', '12629530', '11168554', '12692303', '7758556', '18225966', '16182939', '23869179', '23450582']",M03BX01,D00241,1292,PA448533,,282,,CHEMBL701,24182,LIORESAL,2972,2284,NCC(CC(O)=O)C1=CC=C(Cl)C=C1,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)",KPYSYYIEGFHWSV-UHFFFAOYSA-N
DB00182,300-62-9,Amphetamine,"['illicit', 'approved', 'investigational']","['20997404', '14871155', '10767057', '19199083', '20780662', '4564954', '24725022', '17020775', '28179647', '23539642', '19103239']",N06BA01,D07445,725,PA448408,,195,,CHEMBL405,50005246,BENZEDRINE,132233,3007,CC(N)CC1=CC=CC=C1,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",KWTSXDURSIMDCE-UHFFFAOYSA-N
DB00183,5534-95-2,Pentagastrin,approved,20535014,V04CG04,D01631,7993,PA450849,,2088,ZINC000008214644,CHEMBL1328,50024321,PENTAGASTRIN,31974,9853654,CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1",NEYNJQRKHLUJRU-DZUOILHNSA-N
DB00184,54-11-5,Nicotine,approved,"['12084420', '7864277', '17129706', '15738502']",N07BA01,D03365,31765,PA450626,NCT,1920,ZINC000000391812,CHEMBL3,82070,PROSTEP,17688,89594,CN1CCC[C@H]1C1=CN=CC=C1,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1",SNICXCGAKADSCV-JTQLQIEISA-N
DB00185,107233-08-9,Cevimeline,approved,,N07AX03,D00661,44281,PA164754754,,584,,,,,3568,25137844,CC1O[C@@]2(CS1)CN1CCC2CC1,"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8?,10-/m1/s1",WUTYZMFRCNBCHQ-LHIURRSHSA-N
DB00186,846-49-1,Lorazepam,approved,"['18384456', '7439058', '3611398', '238548', '7388368', '6144459', '17989424', '8625666', '2450203', '20213833']","['N05BA56', 'N05BA06']",D00365,6470,PA450267,,1606,,CHEMBL580,50292627,LORAZEPAM,6539,3958,OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC-UHFFFAOYSA-N
DB00187,81147-92-4,Esmolol,approved,,C07AB09,D07916,49737,PA449500,,1054,,CHEMBL768,50404796,ESMOLOL,88206,59768,COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1,"InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3",AQNDDEOPVVGCPG-UHFFFAOYSA-N
DB00188,179324-69-7,Bortezomib,"['approved', 'investigational']","['14695130', '31731563', '21247388', '15688598', '15846363', '10363983']",L01XX32,D03150,358258,PA10252,BO2,391,ZINC000169746649,CHEMBL325041,50069989,VELCADE,52717,387447,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O,"InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1",GXJABQQUPOEUTA-RDJZCZTQSA-N
DB00189,113-18-8,Ethchlorvynol,"['withdrawn', 'illicit', 'approved']",,N05CM08,D00704,4118,PA164746383,,1078,,CHEMBL591,,,,5281077,CCC(O)(\C=C\Cl)C#C,"InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+",ZEHYJZXQEQOSON-AATRIKPKSA-N
DB00190,28860-95-9,Carbidopa,approved,"['804550', '12942590', '2685649', '28236251', '22549097', '4150141', '11106255']",,D00558,2019,PA448794,142,496,ZINC000019168887,CHEMBL1201236,50418773,MK-486,39585,34359,C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O,"InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1",TZFNLOMSOLWIDK-JTQLQIEISA-N
DB00191,122-09-8,Phentermine,"['illicit', 'approved']","['27773937', '23738843', '12788841', '29489234', '24457398', '29244650', '4415200']",A08AA01,D05458,221138,PA164748099,,2140,ZINC000008403947,CHEMBL1574,50246598,PHENTERMINE HYDROCHLORIDE,8080,4771,CC(C)(N)CC1=CC=CC=C1,"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3",DHHVAGZRUROJKS-UHFFFAOYSA-N
DB00192,74517-78-5,Indecainide,approved,2225716,,,,PA164754881,,1434,ZINC000001855421,CHEMBL1201242,,,135314,52195,CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)",UCEWGESNIULAGX-UHFFFAOYSA-N
DB00193,27203-92-5,Tramadol,"['approved', 'investigational']","['30676832', '25636495', '16949748', '12855342', '22623016', '28953949', '9190323', '28520365', '12010769', '16497429', '9633738', '26218943', '10959067', '24640604', '15845694', '29752906', '28403198', '9190321', '15509185', '31004280', '23872384', '18499628', '8229760', '29555325', '25776506', '28510996']","['N02AJ13', 'N02AJ14', 'N02AX02']",D08623,10689,PA451735,,2711,,CHEMBL1237044,,CONTRAMAL,75722,5523,COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3",TVYLLZQTGLZFBW-UHFFFAOYSA-N
DB00194,24356-66-9,Vidarabine,"['approved', 'investigational']",,"['J05AB03', 'S01AD06']",D00406,11194,PA451876,RAB,,ZINC000000970363,CHEMBL1090,50144936,ARA-A,45327,21704,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1",OIRDTQYFTABQOQ-UHTZMRCNSA-N
DB00195,63659-18-7,Betaxolol,"['approved', 'investigational']",20418154,"['S01ED52', 'S01ED02', 'C07AB05']",,1520,PA448611,,356,,CHEMBL423,50405521,ALO-140102,3082,2369,CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3",NWIUTZDMDHAVTP-UHFFFAOYSA-N
DB00196,86386-73-4,Fluconazole,"['approved', 'investigational']","['21803962', '18476045', '1680653', '18360572', '10515900', '18366001', '16989930', '20498325', '28656554', '15215096', '25451046', '9141655', '29279242', '8448970', '20002501', '9738036', '26465371', '28814889', '19470512', '16406388', '29377368', '26495107', '25843556', '2547410']","['J01RA07', 'J02AC01', 'D01AC15']",D00322,4450,PA449653,TPF,1187,ZINC000000004009,CHEMBL106,25817,DIFLUCAN,46081,3365,OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2",RFHAOTPXVQNOHP-UHFFFAOYSA-N
DB00197,97322-87-7,Troglitazone,"['withdrawn', 'approved', 'investigational']",11443197,A10BG01,D00395,72610,PA451799,,2767,,CHEMBL408,50088494,TROGLITAZONE,9753,5591,CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O,"InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)",GXPHKUHSUJUWKP-UHFFFAOYSA-N
DB00198,196618-13-0,Oseltamivir,approved,"['28607038', '16371632', '15709056', '25550133', '19026027', '15337401', '12791735', '23565231', '22843781', '22997224', '23054689', '22371849', '24718923', '15702046']",J05AH02,D00900,260101,PA450721,,2001,ZINC000003929508,CHEMBL1229,5025,GS-4104,7798,65028,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,"InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1",VSZGPKBBMSAYNT-RRFJBIMHSA-N
DB00199,114-07-8,Erythromycin,"['vet_approved', 'approved', 'investigational']","['22083477', '4714113', '12000992', '21451505', '2656049', '20090676', '12789122', '8540733', '7429008', '17585116', '28146011', '3606934', '3182434', '8851453', '15898434', '11294369', '7306427', '28664582', '915023']","['S01AA17', 'D10AF52', 'D10AF02', 'J01FA01']",D00140,4053,PA449493,ERY,1048,ZINC000085534336,CHEMBL532,50344942,STATICIN,42355,12560,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",ULGZDMOVFRHVEP-RWJQBGPGSA-N
DB00200,13422-51-0,Hydroxocobalamin,approved,14585166,"['B03BA03', 'B03BA53', 'V03AB33']",D01027,5514,PA164768689,,,,,,,27786,44475014,[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H],"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",YOZNUFWCRFCGIH-WZHZPDAFSA-K
DB00201,58-08-2,Caffeine,approved,"['28589122', '24761278', '29067618', '26074744', '12204386', '30574005', '1356551', '1544897', '27100333', '22113078', '16402111']","['N06BC01', 'V04CG30', 'R03DA20']",D00528,1886,PA448710,CFF,463,ZINC000000001084,CHEMBL113,10849,PEYONA,27732,2519,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",RYYVLZVUVIJVGH-UHFFFAOYSA-N
DB00202,306-40-1,Succinylcholine,approved,"['9209610', '29763160', '14564614', '8122251', '26398623', '16571955', '16571968']",M03AB01,,10154,PA451522,SCK,2489,ZINC000001530820,CHEMBL703,50061568,SUXAMETHONIUM CHLORIDE,45652,5314,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,"InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2",AXOIZCJOOAYSMI-UHFFFAOYSA-N
DB00203,139755-83-2,Sildenafil,"['approved', 'investigational']","['28235796', '9935041', '16275885', '8858389', '11879254', '28741090', '30301707']","['G04BE03', 'G01AE10']",D08514,136411,PA451346,VIA,2441,ZINC000019796168,CHEMBL192,14390,HIP0908,9139,135398744,CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1,"InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)",BNRNXUUZRGQAQC-UHFFFAOYSA-N
DB00204,115256-11-6,Dofetilide,"['approved', 'investigational']","['10907968', '10486417', '12845335']",C01BD04,D00647,49247,PA449389,,942,ZINC000000596731,CHEMBL473,50031720,TIKOSYN,4681,71329,CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1,"InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3",IXTMWRCNAAVVAI-UHFFFAOYSA-N
DB00205,58-14-0,Pyrimethamine,"['vet_approved', 'approved', 'investigational']","['14711307', '15155209']","['P01BD01', 'P01BF04', 'P01BD51']",D00488,9010,PA451193,CP6,2332,ZINC000000057464,CHEMBL36,18512,PYRIMETHAMINE,8673,4993,CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1,"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)",WKSAUQYGYAYLPV-UHFFFAOYSA-N
DB00206,50-55-5,Reserpine,"['approved', 'investigational']","['3592424', '12748199', '4862069', '2046107', '490882']","['C02LA01', 'C02AA52', 'C02LA51', 'C02AA02', 'C02LA71']",D00197,9260,PA451236,,2370,ZINC000003938746,CHEMBL772,50017712,RESERPINE,28487,5770,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1",QEVHRUUCFGRFIF-MDEJGZGSSA-N
DB00207,83905-01-5,Azithromycin,approved,"['32205204', '8540733', '1280567', '8539072', '28146011', '17051490', '26648627', '12000992', '28664582']","['S01AA26', 'J01RA07', 'J01FA10']",,1299904,PA448519,ZIT,276,ZINC000085537026,CHEMBL529,50373918,XZ-450,2955,447043,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",MQTOSJVFKKJCRP-BICOPXKESA-N
DB00208,55142-85-3,Ticlopidine,approved,,B01AC05,D08594,10594,PA451686,TIC,2657,ZINC000019594599,CHEMBL833,85509,TICLID,9588,5472,ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2,"InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2",PHWBOXQYWZNQIN-UHFFFAOYSA-N
DB00209,47608-32-2,Trospium,approved,,"['A03DA06', 'G04BD09']",D01103,236778,PA164748976,,,ZINC000100016084,CHEMBL1888176,,SPASMEX,145791,,[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1,"InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23+",OYYDSUSKLWTMMQ-JKHIJQBDSA-N
DB00210,106685-40-9,Adapalene,approved,"['9990418', '26947815', '26069148', '19181031', '9703119', '30281982', '19929446']","['D10AD03', 'D10AD53']",D01112,60223,PA448047,,87,ZINC000003784182,CHEMBL1265,50048280,CD 271,31174,60164,COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2,"InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)",LZCDAPDGXCYOEH-UHFFFAOYSA-N
DB00211,42794-76-3,Midodrine,approved,"['16597710', '6165144']",C01CA17,D08220,6963,PA164749381,,1803,,CHEMBL1201212,,PRO-AMATINE,6933,4195,COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1,"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)",PTKSEFOSCHHMPD-UHFFFAOYSA-N
DB00212,126222-34-2,Remikiren,experimental,"['8498974', '8730917']",C09XA01,,,PA164774779,REM,4696,ZINC000004217406,CHEMBL31601,50077669,,8803,6324659,CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1,"InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1",UXIGZRQVLGFTOU-VQXQMPIVSA-N
DB00213,102625-70-7,Pantoprazole,approved,"['18433349', '29657605', '27102658', '27840364', '28588208', '29658189', '21694841', '8793599', '23350044', '30980783', '23825361', '15498502', '11117653', '12973369', '19362552']","['A02BD04', 'A02BD11', 'A02BC02']",D05353,40790,PA450774,,2054,,CHEMBL1502,50241342,PANTOLOC,7915,4679,COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1,"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)",IQPSEEYGBUAQFF-UHFFFAOYSA-N
DB00214,56211-40-6,Torasemide,approved,"['19034320', '3370063', '9474471', '11718311', '25728721', '23877845', '7705212']","['G01AE10', 'C03CA04']",D00382,38413,PA451733,,2708,ZINC000000005823,CHEMBL1148,64107,TORASEMIDE,9637,51371498,CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1,"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)",NGBFQHCMQULJNZ-UHFFFAOYSA-N
DB00215,59729-33-8,Citalopram,approved,"['12494286', '1424428', '9571301', '23018033', '10863887', '21546862', '9466233', '8732438', '11206593', '16430968', '12934982', '10863884', '8104273']",N06AB04,D07704,2556,PA449015,,663,,CHEMBL549,25870,CITALOPRAM,77397,2771,CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3",WSEQXVZVJXJVFP-UHFFFAOYSA-N
DB00216,143322-58-1,Eletriptan,"['approved', 'investigational']",,N02CC06,D07887,231049,PA134687947,,995,ZINC000003823475,CHEMBL1510,50103594,RELPAX,50922,77993,CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2,"InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1",PWVXXGRKLHYWKM-LJQANCHMSA-N
DB00217,55-73-2,Bethanidine,approved,,C02CC01,D01603,1523,PA164743235,,359,ZINC000002041046,CHEMBL1201260,,,37937,2368,CN\C(NCC1=CC=CC=C1)=N/C,"InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)",NIVZHWNOUVJHKV-UHFFFAOYSA-N
DB00218,151096-09-2,Moxifloxacin,"['approved', 'investigational']",14614666,"['S01AE07', 'J01MA14']",D08237,139462,PA450555,MFX,1854,ZINC000003826253,CHEMBL32,50366824,MOXIFLOXACIN HYDROCHLORIDE,63611,152946,[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1",FABPRXSRWADJSP-MEDUHNTESA-N
DB00219,14214-84-7,Oxyphenonium,approved,,"['A03AB53', 'A03AB03']",,7818,PA164752252,,2039,,CHEMBL1201286,,OXYPHENONIUM BROMIDE,94329,5749,CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1",GFRUPHOKLBPHTQ-UHFFFAOYSA-N
DB00220,159989-64-7,Nelfinavir,approved,9397180,J05AE04,D08259,134527,PA450606,1UN,1893,ZINC000003833846,CHEMBL584,50061306,VIRACEPT,7496,64143,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C,"InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1",QAGYKUNXZHXKMR-HKWSIXNMSA-N
DB00221,79490-84-9,Isoetharine,approved,1928879,,D04625,6023,PA450103,,,,CHEMBL1201213,52083,BETA-2,6005,3762,CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1,"InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3",HUYWAWARQUIQLE-UHFFFAOYSA-N
DB00222,93479-97-1,Glimepiride,approved,"['12852703', '16249427', '17603225', '12369756', '15978902', '26322096', '23028231']","['A10BD06', 'A10BB12', 'A10BD04']",D00593,25789,PA449761,,1300,ZINC000100070954,CHEMBL1481,50237590,AMARYL,5383,,CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O,"InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-",WIGIZIANZCJQQY-RUCARUNLSA-N
DB00223,2557-49-5,Diflorasone,approved,,D07AC10,D07827,91311,PA164749408,,,ZINC000005752191,,,,59750,71415,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",WXURHACBFYSXBI-XHIJKXOTSA-N
DB00224,150378-17-9,Indinavir,approved,,J05AE02,,114289,PA449977,MK1,1437,ZINC000022448696,CHEMBL115,517,"L-735,524",44032,5362440,CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12,"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1",CBVCZFGXHXORBI-PXQQMZJSSA-N
DB00225,131410-48-5,Gadodiamide,"['approved', 'investigational']",,V08CA03,,41144,PA164784027,,,,,,,37333,153921,[Gd+3].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O,"InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3",HZHFFEYYPYZMNU-UHFFFAOYSA-K
DB00226,40580-59-4,Guanadrel,approved,,,D08029,26296,PA164745308,,1339,,CHEMBL1037,,,5555,38521,NC(N)=NCC1COC2(CCCCC2)O1,"InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)",HPBNRIOWIXYZFK-UHFFFAOYSA-N
DB00227,75330-75-5,Lovastatin,"['approved', 'investigational']","['22085316', '30969322', '11385505', '26983896', '10931838', '7942524', '15531285', '9929499', '20847985', '12114036', '26020121', '5539274', '6933445', '30250148', '2906589', '18563955', '18381445', '22607822', '7890038', '10503952', '22992668', '18997196', '7968073', '23440795', '23047648', '25415541', '3069436', '17620856', '28102516', '9160173', '9841303', '15822172', '12015788', '15007110', '27712954', '12860216', '16287954', '27967318']","['C10AA02', 'C10BA01']",D00359,6472,PA450272,803,1612,ZINC000003812841,CHEMBL503,34168,LOVASTATIN,40303,53232,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC,"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1",PCZOHLXUXFIOCF-BXMDZJJMSA-N
DB00228,13838-16-9,Enflurane,"['vet_approved', 'approved', 'investigational']","['3555939', '16973644', '1850580', '8989020', '25807016', '8053596', '10683198', '7741301', '2584946', '31643793', '8162670', '4440435', '2657350', '6869859', '19762755']",N01AB04,D00543,3920,PA449461,,1009,,CHEMBL1257,,ENFLURANE,4792,3226,FC(F)OC(F)(F)C(F)Cl,"InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H",JPGQOUSTVILISH-UHFFFAOYSA-N
DB00229,61622-34-2,Cefotiam,"['approved', 'investigational']","['8829507', '12642969', '11245321']",J01DC07,D07648,2188,PA164749298,,548,ZINC000003830445,CHEMBL1296,50485561,SCE 963,355510,43708,[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O,"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1",QYQDKDWGWDOFFU-IUODEOHRSA-N
DB00230,148553-50-8,Pregabalin,"['approved', 'investigational']","['20444880', '28513426', '16050051', '25984138', '29261857', '20373065', '30374619', '15769862', '12638396', '23463484', '25083261', '28988943', '27994441', '20087482', '9283683', '21651903', '21320112', '27642577', '15315511', '18042886']",N03AX16,D02716,187832,PA164754814,,2255,ZINC000000005152,CHEMBL1059,50164279,PD-144723,64356,25271887,CC(C)C[C@H](CN)CC(O)=O,"InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1",AYXYPKUFHZROOJ-ZETCQYMHSA-N
DB00231,846-50-4,Temazepam,"['approved', 'investigational']","['16018329', '7557666', '2867675', '22707017', '18375', '4311716', '6112127', '8474963', '6118950', '2883820', '2570451']",N05CD07,D00370,10355,PA451608,,2585,,CHEMBL967,50408032,WY-3917,9435,5391,CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1,"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3",SEQDDYPDSLOBDC-UHFFFAOYSA-N
DB00232,135-07-9,Methyclothiazide,withdrawn,,"['C03AA08', 'C03AB08']",D00656,6860,PA164748094,,1759,,CHEMBL1577,,METHYCLOTHIAZIDE,6847,4121,CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,"InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)",CESYKOGBSMNBPD-UHFFFAOYSA-N
DB00233,65-49-6,Aminosalicylic acid,approved,,"['J04AA03', 'J04AA02', 'J04AA01']",D00162,7833,PA448382,BHA,2050,ZINC000000000922,CHEMBL1169,48319,P-AMINOSALICYLIC ACID,27565,4649,NC1=CC(O)=C(C=C1)C(O)=O,"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)",WUBBRNOQWQTFEX-UHFFFAOYSA-N
DB00234,71620-89-8,Reboxetine,"['experimental', 'approved']","['10534319', '11249515', '7579027', '11192474']",N06AX18,,60842,PA144614921,41X,2361,ZINC000003996032,CHEMBL383921,388642,,135342,127151,[H][C@@]1(CNCCO1)[C@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1",CBQGYUDMJHNJBX-RTBURBONSA-N
DB00235,78415-72-2,Milrinone,approved,"['30543176', '8659556', '2680495', '6177950', '12181427', '26756631', '29045285']",C01CE02,D00417,52769,PA164749171,MIL,1809,ZINC000009224016,CHEMBL189,15296,MILRINONE LACTATE,50693,4197,CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1,"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)",PZRHRDRVRGEVNW-UHFFFAOYSA-N
DB00236,54-91-1,Pipobroman,approved,,L01AX02,D00467,8347,PA164747673,,2192,ZINC000001530753,CHEMBL1585,,PIPOBROMAN,8242,4842,BrCCC(=O)N1CCN(CC1)C(=O)CCBr,InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2,NJBFOOCLYDNZJN-UHFFFAOYSA-N
DB00237,125-40-6,Butabarbital,"['illicit', 'approved']","['12826989', '13272177', '8719918', '11264449', '18103391', '10703988', '13175102', '3600612', '18793656', '18568113', '6834253']",N05CB01,D03180,477631,PA164743463,,439,,CHEMBL449,,UNICELLES,3228,2479,CCC(C)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)",ZRIHAIZYIMGOAB-UHFFFAOYSA-N
DB00238,129618-40-2,Nevirapine,approved,,"['J05AR07', 'J05AG01', 'J05AR05']",D00435,53654,PA450616,NVP,1904,ZINC000000004778,CHEMBL57,1434,VIRAMUNE,63613,4463,CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1,"InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)",NQDJXKOVJZTUJA-UHFFFAOYSA-N
DB00239,64211-45-6,Oxiconazole,approved,"['3069196', '18468760']","['G01AF17', 'G01AF20', 'D01AC11']",D08313,32638,PA164754742,,3408,ZINC000003873295,CHEMBL1262,50051844,OXICONAZOLE NITRATE,7825,5353853,ClC1=CC(Cl)=C(CO\N=C(/CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1,"InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+",QRJJEGAJXVEBNE-HKOYGPOVSA-N
DB00240,67452-97-5,Alclometasone,approved,24451000,"['D07AB10', 'S01BA10']",D07116,108088,PA164747650,,,ZINC000030691420,CHEMBL1201361,,,53776,5311000,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29ClO5/c1-11-6-14-18-15(23)8-12-7-13(25)4-5-20(12,2)19(18)16(26)9-21(14,3)22(11,28)17(27)10-24/h4-5,7,11,14-16,18-19,24,26,28H,6,8-10H2,1-3H3/t11-,14+,15-,16+,18-,19+,20+,21+,22+/m1/s1",FJXOGVLKCZQRDN-PHCHRAKRSA-N
DB00241,77-26-9,Butalbital,"['illicit', 'approved']","['29124988', '6105059', '23011802', '11903523', '3244271', '27378845', '12173787']",N05CB01,D03182,19860,PA448695,,441,ZINC000003830347,CHEMBL454,,BUTALBITAL,102524,2481,CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",UZVHFVZFNXBMQJ-UHFFFAOYSA-N
DB00242,4291-63-8,Cladribine,"['approved', 'investigational']","['20634380', '20689698', '19463072', '19715446', '1261088', '19576186', '17852710']","['L04AA40', 'L01BB04']",D01370,44157,PA449027,CL9,667,ZINC000003798064,CHEMBL1619,38920,CLADRIBINE,567361,20279,NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1,"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1",PTOAARAWEBMLNO-KVQBGUIXSA-N
DB00243,95635-55-5,Ranolazine,"['approved', 'investigational']","['30963332', '26697176', '29939605', '28082152', '25028555', '26459200', '21224931', '16717165', '29666676', '18221101', '16640453', '26979079', '16787254']",C01EB18,,35829,PA164746007,,2359,,CHEMBL1404,50173335,RANEXA,87690,56959,COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1,"InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)",XKLMZUWKNUAPSZ-UHFFFAOYSA-N
DB00244,89-57-6,Mesalazine,approved,"['24369317', '24005861']",A07EC02,D00377,52582,PA450384,,1710,ZINC000000001688,CHEMBL704,60918,APRISO,6775,4075,NC1=CC(C(O)=O)=C(O)C=C1,"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)",KBOPZPXVLCULAV-UHFFFAOYSA-N
DB00245,86-13-5,Benzatropine,approved,"['1359485', '10952768', '12966155', '11978145', '17897630', '25548026']",N04AC01,D07511,1424,PA448591,CXQ,333,ZINC000100036536,CHEMBL1201203,50366775,BENZATROPINE MESILATE,3048,,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C,"InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+",GIJXKZJWITVLHI-PMOLBWCYSA-N
DB00246,146939-27-7,Ziprasidone,approved,"['11513838', '12826984', '10771453', '9224781', '28883731', '18568067', '31400341', '28846230', '23861634', '28344764', '14728084']",N05AE04,D08687,115698,PA451974,,2865,ZINC000000538550,CHEMBL708,50048803,GEODON,10119,60854,ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1,"InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)",MVWVFYHBGMAFLY-UHFFFAOYSA-N
DB00247,361-37-5,Methysergide,approved,,N02CA04,D02357,6911,PA164743265,,1775,,CHEMBL485253,50469883,,584020,6540428,[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO,"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15?,19-/m1/s1",KPJZHOPZRAFDTN-NQUBZZJWSA-N
DB00248,81409-90-7,Cabergoline,approved,"['15341508', '12721865', '8951172', '15330687']","['N04BC06', 'G02CB03']",D00987,47579,PA448708,,460,ZINC000003800008,CHEMBL1201087,50426497,CABASER,3286,54746,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC,"InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1",KORNTPPJEAJQIU-KJXAQDMKSA-N
DB00249,54-42-2,Idoxuridine,"['approved', 'investigational']","['10209337', '15458233', '10392098']","['S01AD01', 'J05AB02', 'D06BB01']",D00342,5653,PA164781019,ID2,1417,ZINC000003834173,CHEMBL788,50370388,STOXIL,147675,5905,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O,"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",XQFRJNBWHJMXHO-RRKCRQDMSA-N
DB00250,80-08-0,Dapsone,"['approved', 'investigational']",,"['D10AX05', 'J04BA02']",D00592,3108,PA449211,,782,ZINC000000006310,CHEMBL1043,50029764,DIAPHENYLSULFONE,4325,2955,NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK-UHFFFAOYSA-N
DB00251,67915-31-5,Terconazole,approved,"['2696620', '2677365']",G01AG02,D00888,37806,PA164768834,,2599,ZINC000000897382,CHEMBL1410669,31769,,82981,480953,CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1",BLSQLHNBWJLIBQ-OZXSUGGESA-N
DB00252,57-41-0,Phenytoin,"['vet_approved', 'approved']","['29636628', '28349209', '31855364', '29494051', '28748348', '19693326', '2178849', '23531742', '17630042', '16359177', '22569204', '12489978', '383353']","['N03AB02', 'N03AB52']",D00512,8183,PA450947,,2152,ZINC000002510358,CHEMBL16,50003655,EPAMIN,8107,1775,O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",CXOFVDLJLONNDW-UHFFFAOYSA-N
DB00253,2668-66-8,Medrysone,approved,,S01BA08,D02289,29439,PA450346,,1662,ZINC000003977945,CHEMBL1201173,,MEDRYSONE,34829,247839,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C,"InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1",GZENKSODFLBBHQ-ILSZZQPISA-N
DB00254,564-25-0,Doxycycline,"['vet_approved', 'approved', 'investigational']","['21436975', '20736336', '10405705', '11381101', '12218915', '15964448', '15755955', '27246781', '24497223', '16940111', '15916224', '24284484', '12684759']","['A01AB22', 'J01AA20', 'J01AA02']",D07876,1545992,PA449415,DXT,961,ZINC000016052277,CHEMBL1433,,DORYX,50845,,[H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1",JBIWCJUYHHGXTC-AKNGSSGZSA-N
DB00255,56-53-1,Diethylstilbestrol,"['approved', 'investigational']","['7001242', '6436700', '5549830', '13104505', '5171004']","['L02AA04', 'G03CB02', 'L02AA01', 'G03CC05']",D00577,3390,PA449307,DES,875,ZINC000000001290,CHEMBL411,20625,STILBETIN,41922,448537,CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",RGLYKWWBQGJZGM-ISLYRVAYSA-N
DB00256,992-21-2,Lymecycline,"['approved', 'investigational']","['6487493', '12609781', '11381101', '12695127', '27246781', '19399726', '16816396']","['J01AA20', 'J01AA04']",D06884,6513,PA164747190,,1619,ZINC000053682936,CHEMBL2103929,,TETRALYSAL,59040,,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C,"InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1",AHEVKYYGXVEWNO-UEPZRUIBSA-N
DB00257,23593-75-1,Clotrimazole,"['vet_approved', 'approved']","['24863842', '26819835', '21725708', '4025444']","['D01AC01', 'A01AB18', 'G01AF20', 'G01AF02']",D00282,2623,PA449057,CL6,719,ZINC000003807804,CHEMBL104,31774,GYNE-LOTRIMIN,3764,2812,ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",VNFPBHJOKIVQEB-UHFFFAOYSA-N
DB00258,62-54-4,Calcium acetate,"['approved', 'investigational']",,"['V03AE07', 'V03AE04', 'A11GB01']",D00931,214342,PA164746897,,,,CHEMBL1200800,,PHOSLYRA,3310,517040,[Ca++].CC([O-])=O.CC([O-])=O,"InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",VSGNNIFQASZAOI-UHFFFAOYSA-L
DB00259,63-74-1,Sulfanilamide,approved,16997145,"['D06BA05', 'J01EB06', 'G01AE10']",D08543,10184,PA451545,SAN,2521,ZINC000000002101,CHEMBL21,10857,SULFANILAMIDE,45373,5333,NC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",FDDDEECHVMSUSB-UHFFFAOYSA-N
DB00260,68-41-7,Cycloserine,approved,,J04AB01,,3007,PA164764600,4AX,759,ZINC000034676245,CHEMBL771,50103516,CYCLOSERINE,40009,6234,N[C@@H]1CONC1=O,"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1",DYDCUQKUCUHJBH-UWTATZPHSA-N
DB00261,68475-42-3,Anagrelide,approved,"['15531452', '16810615', '16000354', '25604267', '31598394', '17091608', '30919941', '30530703']",L01XX35,D07455,596724,PA164742986,J33,209,ZINC000003871541,CHEMBL760,50000334,ANAGRELIDE,142290,135409400,ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl,"InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)",OTBXOEAOVRKTNQ-UHFFFAOYSA-N
DB00262,154-93-8,Carmustine,"['approved', 'investigational']",,L01AD01,D00254,2105,PA448810,,512,ZINC000003830387,CHEMBL513,50015950,SRI-1720,3423,2578,ClCCNC(=O)N(CCCl)N=O,"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)",DLGOEMSEDOSKAD-UHFFFAOYSA-N
DB00263,127-69-5,Sulfisoxazole,"['vet_approved', 'approved']",,"['J01EB05', 'G01AE10', 'S01AB02']",D00450,10207,PA164748964,,2529,ZINC000096006009,CHEMBL453,50034452,SULFISOXAZOLE,102484,5344,CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C,"InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3",NHUHCSRWZMLRLA-UHFFFAOYSA-N
DB00264,51384-51-1,Metoprolol,"['approved', 'investigational']","['30248178', '7333059', '26252585', '30422518']","['C07FX03', 'C07CB02', 'C07FX05', 'C07FB13', 'C07AB02', 'C07BB02', 'C07BB52', 'C07FB02']",D02358,6918,PA450480,,1786,,CHEMBL13,25756,METOPROLOL SUCCINATE,6904,4171,COCCC1=CC=C(OCC(O)CNC(C)C)C=C1,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",IUBSYMUCCVWXPE-UHFFFAOYSA-N
DB00265,483-63-6,Crotamiton,approved,12667233,,D01381,21766,PA164745460,,744,,CHEMBL3183440,,,31439,2883,CCN(C(=O)C=CC)C1=CC=CC=C1C,"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+",DNTGGZPQPQTDQF-XBXARRHUSA-N
DB00266,66-76-2,Dicoumarol,approved,"['14500388', '15639223', '12880296', '15511084']",B01AA01,D03798,1598,PA449298,,867,ZINC000003869855,CHEMBL1466,35525,,4513,54676038,OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2,"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2",DOBMPNYZJYQDGZ-UHFFFAOYSA-N
DB00267,65085-01-0,Cefmenoxime,approved,"['7816419', '6941742', '7637194', '8193431']",J01DD05,D01739,,PA164750569,,538,ZINC000003830413,CHEMBL1201224,,,55490,9570757,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1",HJJDBAOLQAWBMH-YCRCPZNHSA-N
DB00268,91374-21-9,Ropinirole,"['approved', 'investigational']","['19503779', '19412490', '11069211', '10929932', '19557097']",N04BC04,D08489,72302,PA164749035,,2402,ZINC000000002041,CHEMBL589,50020680,REQUIP,8888,5095,CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1,"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)",UHSKFQJFRQCDBE-UHFFFAOYSA-N
DB00269,569-57-3,Chlorotrianisene,"['withdrawn', 'investigational']",,G03CA06,D00269,2397,PA164768822,,610,ZINC000001530598,CHEMBL1200761,,CHLOROTRIANISENE,3641,11289,COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1,"InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3",BFPSDSIWYFKGBC-UHFFFAOYSA-N
DB00270,75695-93-1,Isradipine,"['approved', 'investigational']","['15858400', '15512286', '16751108', '15850499']",C08CA03,D00349,33910,PA450131,,1511,,CHEMBL1648,50436176,DYNACIRC,6073,3784,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C,"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3",HMJIYCCIJYRONP-UHFFFAOYSA-N
DB00271,117-96-4,Diatrizoate,"['vet_approved', 'approved']",,V08AA01,D01013,1546223,PA449281,,851,ZINC000004097476,CHEMBL1201220,62875,,53691,2140,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",YVPYQUNUQOZFHG-UHFFFAOYSA-N
DB00272,105-20-4,Betazole,approved,,V04CG02,,,PA164784036,,357,ZINC000000001028,CHEMBL1201323,,,59170,7741,NCCC1=CC=NN1,"InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)",JXDFEQONERDKSS-UHFFFAOYSA-N
DB00273,97240-79-4,Topiramate,approved,"['10768298', '10768292', '15771438', '8902921', '10768303', '15845141', '19514879', '16250251', '28579749', '16503717', '25101297', '20169042', '28004305', '17826101', '19860705']",N03AX11,D00537,38404,PA451728,TOR,2706,ZINC000095616603,CHEMBL220492,10887,USL255,63631,5284627,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2,"InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1",KJADKKWYZYXHBB-XBWDGYHZSA-N
DB00274,56796-20-4,Cefmetazole,"['approved', 'investigational']",,J01DC09,D00910,2182,PA164746819,4KO,539,ZINC000003830417,CHEMBL1201195,50350471,CEFMETAZOLE SODIUM,3489,42008,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O,"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1",SNBUBQHDYVFSQF-HIFRSBDPSA-N
DB00275,144689-24-7,Olmesartan,"['approved', 'investigational']","['11967728', '28449828', '24649063', '29111106', '14610160', '11565518', '17323586', '22538956', '15520426', '29683146', '30683835', '21388309', '23256914', '18378520', '19911855', '23732715']","['C09CA08', 'C09DA08', 'C09DB02', 'C09DX03']",D01204,321064,PA164742950,OLM,,ZINC000000538621,CHEMBL1516,50241364,RNH-6270,48416,158781,CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(O)=O)C(C)(C)O,"InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)",VTRAEEWXHOVJFV-UHFFFAOYSA-N
DB00276,51264-14-3,Amsacrine,"['approved', 'investigational']",,L01XX01,D02321,739,PA10309,ASW,203,ZINC000003812923,CHEMBL43,87351,CI-880,2687,2179,COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1,"InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)",XCPGHVQEEXUHNC-UHFFFAOYSA-N
DB00277,58-55-9,Theophylline,approved,,"['R03DA74', 'R03DB04', 'R03DA04', 'R03DA20', 'R03DA54']",D00371,10438,PA451647,TEP,2620,ZINC000018043251,CHEMBL190,10847,THEOPHYLLINE MONOHYDRATE,28177,2153,CN1C2=C(NC=N2)C(=O)N(C)C1=O,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",ZFXYFBGIUFBOJW-UHFFFAOYSA-N
DB00278,74863-84-6,Argatroban,"['approved', 'investigational']",16148288,B01AE03,,15202,PA164745516,,239,,CHEMBL1166,50038001,MD-805,94385,92722,C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C1=CC=CC2=C1NCC(C)C2,"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1",KXNPVXPOPUZYGB-IOVMHBDKSA-N
DB00279,6893-02-3,Liothyronine,"['vet_approved', 'approved']",24977379,"['H03AA03', 'H03AA02']",,10814,PA164778866,T3,1585,ZINC000003830999,CHEMBL1544,18860,TRIOSTAT,18258,7048703,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1",AUYYCJSJGJYCDS-LBPRGKRZSA-N
DB00280,3737-09-5,Disopyramide,approved,,C01BA03,D00303,3541,PA449373,,926,,CHEMBL517,50028893,RYTHMODAN,4657,3114,CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C,"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)",UVTNFZQICZKOEM-UHFFFAOYSA-N
DB00281,137-58-6,Lidocaine,"['vet_approved', 'approved']","['17067740', '28408390', '4694036', '15099246', '17443559']","['D04AB01', 'N01BB52', 'N01BB02', 'C05AD01', 'S02DA01', 'C01BB01', 'S01HA07', 'R02AD02']",D00358,6387,PA450226,LQZ,1579,ZINC000000020237,CHEMBL79,50017662,LIDODERM,6456,3676,CCN(CC)CC(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NNJVILVZKWQKPM-UHFFFAOYSA-N
DB00282,40391-99-9,Pamidronic acid,approved,"['30650219', '9115053', '9145236', '16298452', '16369966', '18214569', '23044853', '6104199', '19101859']",M05BA03,D07281,11473,PA450767,210,2048,ZINC000003812862,CHEMBL834,12581,PAMIDRONIC ACID,7903,4674,NCCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)",WRUUGTRCQOWXEG-UHFFFAOYSA-N
DB00283,15686-51-8,Clemastine,"['approved', 'investigational']","['1266718', '8930778']","['R06AA04', 'R06AA54', 'D04AA14']",D03535,2578,PA164776997,,671,ZINC000000402830,CHEMBL1626,94606,HS-592,3738,26987,CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1",YNNUSGIPVFPVBX-NHCUHLMSSA-N
DB00284,56180-94-0,Acarbose,"['approved', 'investigational']","['29630266', '26246763', '3286212', '8893066', '9429368']","['A10BF01', 'A10BD17']",D00216,16681,PA448010,,39,ZINC000096309558,,,,,9811704,[H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1S/C25H43NO18/c1-7-13(26-9-2-8(3-27)14(33)18(37)15(9)34)17(36)20(39)24(41-7)44-23-12(6-30)42-25(21(40)19(23)38)43-22(11(32)5-29)16(35)10(31)4-28/h2,4,7,9-27,29-40H,3,5-6H2,1H3/t7-,9+,10+,11-,12-,13-,14-,15+,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-/m1/s1",CEMXHAPUFJOOSV-XGWNLRGSSA-N
DB00285,93413-69-5,Venlafaxine,approved,"['26298465', '11750180', '16974189', '15367045', '30838456', '24944075', '25081580', '22992668', '15705120', '27486148', '22683887', '9818630', '19515014', '11098413', '15288411', '17464733']",N06AX16,D08670,39786,PA451866,,2813,,CHEMBL637,82071,VENLAFAXINE HYDROCHLORIDE,9943,5656,COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",PNVNVHUZROJLTJ-UHFFFAOYSA-N
DB00286,12126-59-9,Conjugated estrogens,approved,"['24715748', '9421201', '17443713', '28798519', '16112947', '5822587']","['G03CA57', 'G03CC07']",D04070,4099,PA164754789,,,,,,,,,,,
DB00287,157283-68-6,Travoprost,approved,"['18983226', '19929706', '19038618', '18452763', '9038626']",S01EE04,D01964,283809,PA164781371,,2716,ZINC000004474682,CHEMBL1200799,50248302,AL-6221,746859,5282226,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1",MKPLKVHSHYCHOC-AHTXBMBWSA-N
DB00288,51022-69-6,Amcinonide,approved,,D07AC11,D01387,17652,PA164746074,,150,ZINC000003977777,CHEMBL1200732,,,31199,443958,[H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1",ILKJAFIWWBXGDU-MOGDOJJUSA-N
DB00289,83015-26-3,Atomoxetine,approved,"['26859445', '28965364', '12108801', '12431845', '30633928', '21550021', '27721971', '20423340', '23933039', '24732041']",N06BA09,D07473,38400,PA134688071,,256,ZINC000001842633,CHEMBL641,50366567,ATOMOXETINE HYDROCHLORIDE,127342,54841,CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1",VHGCDTVCOLNTBX-QGZVFWFLSA-N
DB00290,11056-06-7,Bleomycin,"['approved', 'investigational']",11749501,L01DC01,,1622,PA448645,BLM,,,,,,,5360373,[H][C@](C)(NC(=O)[C@@]([H])(NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C)[C@@]([H])(C)O,"InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1",OYVAGSVQBOHSSS-WXFSZRTFSA-O
DB00291,305-03-3,Chlorambucil,approved,"['11114313', '20033051', '19160296']",L01AA02,D00266,2346,PA448926,CBL,588,ZINC000000001115,CHEMBL515,50003677,NSC-3088,28830,2708,OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl,"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)",JCKYGMPEJWAADB-UHFFFAOYSA-N
DB00292,33125-97-2,Etomidate,approved,,N01AX07,D00548,4177,PA164743987,V8D,1109,ZINC000000001408,CHEMBL681,50125935,ETOMIDATE,4910,667484,CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1",NPUKDXXFDDZOKR-LLVKDONJSA-N
DB00293,112887-68-0,Raltitrexed,"['approved', 'investigational']",,L01BA03,D01064,196239,PA131625240,D16,2353,ZINC000003832372,CHEMBL225071,18795,ZD-1694,5847,135400182,CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1",IVTVGDXNLFLDRM-HNNXBMFYSA-N
DB00294,54048-10-1,Etonogestrel,"['approved', 'investigational']","['18728840', '26241255', '9883383']",G03AC08,,14584,PA164771231,,1110,ZINC000011680067,CHEMBL1531,50423516,ORG-3236,50777,6917715,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",GCKFUYQCUCGESZ-BPIQYHPVSA-N
DB00295,57-27-2,Morphine,"['approved', 'investigational']","['10718775', '27626479', '15907650', '17370507', '25444409', '2245160', '27506251', '24985077', '2057987']","['N02AA01', 'N02AG01', 'A07DA52', 'N02AA51']",D08233,7052,PA450550,MOI,1845,ZINC000003812983,CHEMBL70,50000092,ASTRAMORPH,17303,5288826,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",BQJCRHHNABKAKU-KBQPJGBKSA-N
DB00296,84057-95-4,Ropivacaine,approved,"['16810015', '16430560', '12772136']",N01BB09,,35780,PA451271,,2403,ZINC000000897002,CHEMBL1077896,50239375,TLC590,8890,175805,CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1",ZKMNUMMKYBVTFN-HNNXBMFYSA-N
DB00297,38396-39-3,Bupivacaine,"['approved', 'investigational']","['16810015', '16430560']","['N01BB51', 'N01BB01']",,1815,PA135057240,,432,,CHEMBL1098,50350790,LIQ865,77431,2474,CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)",LEBVLXFERQHONN-UHFFFAOYSA-N
DB00298,72822-12-9,Dapiprazole,approved,,S01EX02,D07775,22298,PA164749109,,781,ZINC000000001246,CHEMBL1201216,,,51066,3033538,CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1,"InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3",RFWZESUMWJKKRN-UHFFFAOYSA-N
DB00299,39809-25-1,Penciclovir,approved,,"['J05AB13', 'D06BB06']",D05407,59839,PA450839,PE2,2079,ZINC000000001899,CHEMBL1540,50210804,PENCICLOVIR SODIUM,7956,135398748,NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2,"InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)",JNTOCHDNEULJHD-UHFFFAOYSA-N
DB00300,201341-05-1,Tenofovir disoproxil,"['approved', 'investigational']","['24169122', '22808148', '23278367', '22951630', '11562951', '22943210', '11569959', '16801428', '11813460', '29641561', '11777298']","['J05AR27', 'J05AR06', 'J05AR03', 'J05AR09', 'J05AF07', 'J05AR12', 'J05AR24', 'J05AR11', 'J05AR08']",,300195,PA10204,,2593,ZINC000003929022,CHEMBL1538,,GS-4331,63717,5481350,[H][C@@](C)(CN1C=NC2=C(N)N=CN=C12)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,"InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1",JFVZFKDSXNQEJW-CQSZACIVSA-N
DB00301,5250-39-5,Flucloxacillin,"['approved', 'investigational']",,"['J01CF05', 'J01CR50']",D04196,4448,PA164781042,,1183,ZINC000004102187,CHEMBL222645,50370590,FLOXACILLIN,5098,21319,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1F)C(O)=O,"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",UIOFUWFRIANQPC-JKIFEVAISA-N
DB00302,1197-18-8,Tranexamic acid,approved,"['15730382', '25797505', '11907171']",B02AA02,D01136,10691,PA164750514,AMH,2713,ZINC000100071256,CHEMBL877,50428067,TRANS AMCHA,48669,,NC[C@H]1CC[C@@H](CC1)C(O)=O,"InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-",GYDJEQRTZSCIOI-LJGSYFOKSA-N
DB00303,153832-46-3,Ertapenem,"['approved', 'investigational']",15150180,J01DH03,D07908,325642,PA164777032,,1046,ZINC000003918453,CHEMBL1359,,MK-0826,404903,150610,[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,"InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1",JUZNIMUFDBIJCM-ANEDZVCMSA-N
DB00304,54024-22-5,Desogestrel,approved,"['15006321', '21287884', '18854070', '30000422', '28344968', '8447355', '8924815']","['G03AA09', 'G03FB10', 'G03AC09', 'G03AB05']",D02367,22656,PA449238,,818,ZINC000004097416,CHEMBL1533,50423510,CERAZETTE,4453,40973,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],"InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",RPLCPCMSCLEKRS-BPIQYHPVSA-N
DB00305,50-07-7,Mitomycin,approved,9383461,L01DC03,D00208,632,PA450524,,1819,ZINC000030726187,CHEMBL105,50428658,UGN-101,27504,5746,[H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(N)=C(C)C4=O,"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1",NWIBSHFKIJFRCO-WUDYKRTCSA-N
DB00306,115-44-6,Talbutal,"['illicit', 'approved']",,N05CA07,D06887,89810,PA164779051,,2556,,CHEMBL1200802,,,134923,8275,CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",BJVVMKUXKQHWJK-UHFFFAOYSA-N
DB00307,153559-49-0,Bexarotene,"['approved', 'investigational']","['17553039', '11702369', '15056048', '17363535', '16495926', '17440015']",L01XX25,D03106,233272,PA164752250,9RA,361,ZINC000001539579,CHEMBL1023,50032675,BEXAROTENE,50859,82146,CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C,"InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)",NAVMQTYZDKMPEU-UHFFFAOYSA-N
DB00308,122647-31-8,Ibutilide,approved,,C01BD05,D00648,41289,PA449958,,1412,,CHEMBL533,50131432,IBUTILIDE FUMARATE,5856,60753,CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1,"InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3",ALOBUEHUHMBRLE-UHFFFAOYSA-N
DB00309,53643-48-4,Vindesine,"['approved', 'investigational']",,L01CA03,D01769,11204,PA10232,,2826,,CHEMBL238071,,VINDESINE,,11643449,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC,"InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34-,35+,36+,39-,40+,41+,42-,43-/m0/s1",HHJUWIANJFBDHT-ZVTSDNJWSA-N
DB00310,77-36-1,Chlorthalidone,approved,"['26874237', '10789664', '10420860', '19474192', '12844462', '20625077', '22314115']","['C03BA04', 'C03BB04', 'C03EA06', 'G01AE10']",D00272,2409,PA448970,,625,,CHEMBL1055,25900,THALITONE,3654,2732,NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12,"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)",JIVPVXMEBJLZRO-UHFFFAOYSA-N
DB00311,452-35-7,Ethoxzolamide,withdrawn,,,D02441,,PA164754743,EZL,1089,ZINC000000056721,CHEMBL18,10882,,101096,3295,CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O,"InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)",OUZWUKMCLIBBOG-UHFFFAOYSA-N
DB00312,76-74-4,Pentobarbital,"['vet_approved', 'approved', 'investigational']",6777235,"['N05CA01', 'N05CB01']",D00499,8004,PA450859,,2095,,CHEMBL448,50055935,SAGATAL,7983,4737,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",WEXRUCMBJFQVBZ-UHFFFAOYSA-N
DB00313,99-66-1,Valproic acid,"['approved', 'investigational']","['18162014', '28032215', '23797677', '17514356', '22344494', '22276680', '17218782', '12351716', '16996718', '8245981', '16344985', '15576064', '11937071', '24132760', '16099290', '15289798', '17273758', '28990289', '29339929', '20816041', '12196581', '3149565', '11473107', '9180347', '15780695', '14763951', '25207925']",N03AG01,D00399,11118,PA451846,2PP,2803,ZINC000003008621,CHEMBL109,50003616,DEPACON,39867,3121,CCCC(CCC)C(O)=O,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",NIJJYAXOARWZEE-UHFFFAOYSA-N
DB00314,11003-38-6,Capreomycin,approved,,J04AB30,D00135,78903,PA164746226,,,,,,,,135483770,[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O,"InChI=1S/C25H44N14O8.C25H44N14O7/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b15-9+;16-10+/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-/m00/s1",VCOPTHOUUNAYKQ-WBTCAYNUSA-N
DB00315,139264-17-8,Zolmitriptan,"['approved', 'investigational']","['10553725', '32192818', '9399013', '29352859', '9453271', '28179394', '9399012', '1646289', '18370509', '9205817', '25877672', '24024604']",N02CC03,D00415,135775,PA451975,,2869,ZINC000000015515,CHEMBL1185,50033383,ZOLMITRIPTAN,10124,60857,CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12,"InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1",ULSDMUVEXKOYBU-ZDUSSCGKSA-N
DB00316,103-90-2,Acetaminophen,approved,"['17227290', '15662292', '7039926', '26572078', '16413237', '104998', '15879007', '11866476', '21508345', '18232020', '12242329', '14758786', '26049587']","['N02AJ01', 'N02AJ06', 'N02BE01', 'N02AJ13', 'N02BE51', 'N02BE71', 'N02AJ17']",D00217,161,PA448015,TYL,52,ZINC000013550868,CHEMBL112,26197,EFFERALGAN,46195,1983,CC(=O)NC1=CC=C(O)C=C1,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",RZVAJINKPMORJF-UHFFFAOYSA-N
DB00317,184475-35-2,Gefitinib,"['approved', 'investigational']","['15284455', '15329413']",L01XE02,D01977,328134,PA131301952,IRE,1282,ZINC000019632614,CHEMBL939,5447,IRESSA,49668,123631,COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,"InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)",XGALLCVXEZPNRQ-UHFFFAOYSA-N
DB00318,76-57-3,Codeine,"['illicit', 'approved']","['25234029', '2049245', '22165039', '9218689', '22747535', '23781422', '15102399', '11092114', '15495019']","['N02AJ07', 'N02AA79', 'N02AJ08', 'N02AA59', 'N02AJ06', 'R05DA04']",D03580,1545976,PA449088,,725,ZINC000003806721,CHEMBL485,50105098,CODEINE PHOSPHATE,16714,5284371,[H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",OROGSEYTTFOCAN-DNJOTXNNSA-N
DB00319,66258-76-2,Piperacillin,approved,16940077,"['J01CA12', 'J01CR50']",D00466,1546000,PA450975,WPP,,ZINC000003913937,CHEMBL702,50240426,CL-227193,8232,43672,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",IVBHGBMCVLDMKU-GXNBUGAJSA-N
DB00320,511-12-6,Dihydroergotamine,"['approved', 'investigational']","['32078320', '18179563', '29229375', '22444161', '31737909', '23815106', '23620146']","['N02CA51', 'N02CA01']",D07837,3418,PA164743028,2GM,888,ZINC000003978005,CHEMBL1732,50295557,DIHYDROERGOTAMINE MESYLATE,4562,10531,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1",LUZRJRNZXALNLM-JGRZULCMSA-N
DB00321,50-48-6,Amitriptyline,approved,"['8736630', '21515689', '20398637', '12804503', '9399333', '15943846', '18697829', '10383563', '21750623', '28536367']","['N06CA01', 'N06AA09']",D07448,704,PA448385,TP0,180,ZINC000000968257,CHEMBL629,50020712,ELAVIL,2666,2160,CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",KRMDCWKBEZIMAB-UHFFFAOYSA-N
DB00322,50-91-9,Floxuridine,approved,,L01BC09,D04197,4488,PA449652,,1184,ZINC000003813010,CHEMBL917,50340678,FLOXURIDINE,60761,5790,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O,"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",ODKNJVUHOIMIIZ-RRKCRQDMSA-N
DB00323,134308-13-7,Tolcapone,"['withdrawn', 'approved']","['15697329', '12538800', '10882160', '9917075', '19503773']",N04BX01,D00786,72937,PA451720,TCW,2697,ZINC000035342789,CHEMBL1324,50108877,TASMAR,63630,4659569,CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O,"InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3",MIQPIUSUKVNLNT-UHFFFAOYSA-N
DB00324,426-13-1,Fluorometholone,"['approved', 'investigational']",,"['S01CA07', 'D07AB06', 'D10AA01', 'S01BB03', 'D07CB03', 'S01CB05', 'S01BA07', 'C05AA06', 'D07XB04']",D01367,4491,PA164781355,,1208,ZINC000118912517,CHEMBL1200600,50103631,OXYLONE,31625,9878,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1",FAOZLTXFLGPHNG-KNAQIMQKSA-N
DB00325,15078-28-1,Nitroprusside,"['approved', 'investigational']",,C02DD01,,7476,PA451406,,,,,50377921,,7596,,O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N,InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1,ASPOIVQEUUCDQT-UHFFFAOYSA-N
DB00326,29039-00-7,Calcium glucoheptonate,approved,7387803,A12AA10,D00934,47618,PA164746233,,,,CHEMBL1237066,,,3314,129628006,[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O,"InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1",FATUQANACHZLRT-KMRXSBRUSA-L
DB00327,466-99-9,Hydromorphone,"['illicit', 'approved']","['18443637', '22554450', '15268978', '23973378', '21999760', '29261877', '15907647', '18261371']","['N02AA53', 'N02AG04', 'N02AA03']",,3423,PA449918,,1393,ZINC000000402954,CHEMBL398707,50241341,DILAUDID,5790,5284570,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1",WVLOADHCBXTIJK-YNHQPCIGSA-N
DB00328,53-86-1,Indomethacin,"['approved', 'investigational']","['1100305', '4090993', '7249487', '23754139', '14056924', '25141247', '21508345', '26865183', '18952571', '22268531', '22970738', '25856684']","['C01EB03', 'M01AB01', 'S01BC01', 'M01AB51', 'S01CC02', 'M02AA23']",D00141,5781,PA449982,IMN,1440,ZINC000000601283,CHEMBL6,17638,INDOMETHACIN,49662,3715,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O,"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",CGIGDMFJXJATDK-UHFFFAOYSA-N
DB00330,74-55-5,Ethambutol,approved,"['22155817', '32327601', '17879380', '19596878', '32644476', '485133', '13776497', '14260000', '18647459', '31712201', '18174142']","['J04AM07', 'J04AM03', 'J04AM06', 'J04AK02']",D07925,4110,PA164784021,95E,1073,ZINC000019364219,CHEMBL44884,50448407,ETIBI,4877,14052,CC[C@@H](CO)NCCN[C@@H](CC)CO,"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1",AEUTYOVWOVBAKS-UWVGGRQHSA-N
DB00331,657-24-9,Metformin,approved,"['28942196', '29772022', '11567710', '13432032', '14576245', '17391168', '15225167', '23835523', '24847880', '17496363', '6847752', '11602616', '30038219', '28776086', '23636265', '15220268', '22117616']","['A10BD02', 'A10BD07', 'A10BA02', 'A10BD14', 'A10BD20', 'A10BD08', 'A10BD23', 'A10BD05', 'A10BD17', 'A10BD10', 'A10BD22', 'A10BD13', 'A10BD15', 'A10BD25', 'A10BD16', 'A10BD03', 'A10BD11', 'A10BD18']",D04966,6809,PA450395,MF8,1725,ZINC000012859773,CHEMBL1431,50229665,GLUCOPHAGE XR,6801,4091,CN(C)C(=N)NC(N)=N,"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)",XZWYZXLIPXDOLR-UHFFFAOYSA-N
DB00332,60205-81-4,Ipratropium,"['experimental', 'approved']","['30085570', '28546381', '8521214', '22021174', '15202698']","['R03AL02', 'R03BB01', 'R03AL01', 'R01AX03']",,7213,PA450082,,1475,,CHEMBL1621597,,ATROVENT,,,[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C,"InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?",OEXHQOGQTVQTAT-BHIXFJMTSA-N
DB00333,76-99-3,Methadone,approved,"['12405865', '16185211', '23740540', '10509323', '29458047', '7690683', '17313907', '15832538', '22084456', '9514554', '23152251', '10870744', '21694616', '11064485', '30205091', '25456329', '11406880', '8018740', '7562497', '30788514']","['N07BC02', 'N02AC52']",D08195,6813,PA450401,,1728,,CHEMBL651,82507,HEPTADON,167309,4095,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3",USSIQXCVUWKGNF-UHFFFAOYSA-N
DB00334,132539-06-1,Olanzapine,"['approved', 'investigational']","['28112422', '26266027', '23902726', '26720055', '30422498', '12921220', '28503222']",N05AH03,D00454,61381,PA450688,,1982,ZINC000052957434,CHEMBL715,35254,OLANZAPINE,7735,135398745,CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2,"InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3",KVWDHTXUZHCGIO-UHFFFAOYSA-N
DB00335,29122-68-7,Atenolol,approved,"['28756403', '26409259', '6749509', '2863754', '2829913', '22759389', '25064578', '17376402', '29084731', '30703530', '26556552', '15530629', '29111106', '12648290', '23637119', '24750981', '27521067', '2719503', '29630759', '26172390', '27927840', '27019']","['C07BB03', 'C07CB03', 'C07AB03', 'C07FB03', 'C07CB53', 'C07DB01']",D00235,1202,PA448499,,255,,CHEMBL24,25753,ICI 66082,2904,2249,CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)",METKIMKYRPQLGS-UHFFFAOYSA-N
DB00336,59-87-0,Nitrofural,"['vet_approved', 'approved', 'investigational']",,"['D08AF01', 'P01CC02', 'D09AA03', 'S01AX04', 'S02AA02', 'B05CA03']",D00862,7455,PA164754877,NFZ,1950,ZINC000000897369,CHEMBL869,,FURACIN,,5447130,NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O,"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+",IAIWVQXQOWNYOU-FPYGCLRLSA-N
DB00337,137071-32-0,Pimecrolimus,"['approved', 'investigational']",10468798,D11AH02,,321952,PA164783790,,2168,ZINC000085536990,CHEMBL1200686,50248356,PIMECROLIMUS,135888,6509979,[H][C@]1(CC[C@H](Cl)[C@@H](C1)OC)\C=C(/C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)OC,"InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1",KASDHRXLYQOAKZ-XDSKOBMDSA-N
DB00338,73590-58-6,Omeprazole,"['vet_approved', 'approved', 'investigational']","['19220208', '27840364', '10665250', '16259581', '9777317', '10352088', '17190895', '1718683', '16700898', '2690330', '8730260', '2557669', '30023042', '12973369', '29547594']","['A02BD01', 'A02BC01', 'A02BD05']",D00455,7646,PA450704,,1990,,CHEMBL1503,50241343,PRILOSEC,91766,4594,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS-UHFFFAOYSA-N
DB00339,98-96-4,Pyrazinamide,"['approved', 'investigational']","['12569078', '6109855', '17485499', '21835980', '17101678', '11914348', '6386028', '6356538']","['J04AM05', 'J04AK01', 'J04AM06']",D00144,8987,PA451182,PZA,2328,ZINC000000002005,CHEMBL614,228814,PYRAZINAMIDE,45285,1046,NC(=O)C1=NC=CN=C1,"InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)",IPEHBUMCGVEMRF-UHFFFAOYSA-N
DB00340,4969-02-2,Metixene,approved,,N04AA03,D01871,29682,PA164783811,,1780,,CHEMBL1201342,79211,ATOSIL,51024,4167,CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1,"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3",MJFJKKXQDNNUJF-UHFFFAOYSA-N
DB00341,83881-51-0,Cetirizine,approved,"['23723474', '9084458', '14680442', '25629743', '23867423']",R06AE07,,20610,PA448905,,581,,CHEMBL1000,22890,CETIRIZINE,3561,2678,OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)",ZKLPARSLTMPFCP-UHFFFAOYSA-N
DB00342,50679-08-8,Terfenadine,"['withdrawn', 'approved']",,R06AX12,D00521,42330,PA451619,,2600,,CHEMBL17157,50017376,TERFENADINE,9453,5405,CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3",GUGOEEXESWIERI-UHFFFAOYSA-N
DB00343,42399-41-7,Diltiazem,"['approved', 'investigational']","['3019374', '27016085', '3498047', '6861848', '11744603', '8243504', '10226758']","['C08DB01', 'C05AE03']",D07845,3443,PA449334,C9F,897,ZINC000000621893,CHEMBL23,50004704,TILDIEM,101278,39186,COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O,"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1",HSUGRBWQSSZJOP-RTWAWAEBSA-N
DB00344,438-60-8,Protriptyline,approved,,N06AA11,D08447,8886,PA451168,,2320,ZINC000001530764,CHEMBL668,50176062,VIVACTIL,8597,4976,CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3",BWPIARFWQZKAIA-UHFFFAOYSA-N
DB00345,61-78-9,Aminohippuric acid,"['approved', 'investigational']",,V04CH30,D06890,42837,PA134711723,,165,ZINC000000119344,CHEMBL463,50240008,AMINOHIPPURIC ACID,104011,2148,NC1=CC=C(C=C1)C(=O)NCC(O)=O,"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)",HSMNQINEKMPTIC-UHFFFAOYSA-N
DB00346,81403-80-7,Alfuzosin,"['approved', 'investigational']","['16985902', '11893233', '7682910', '12814682', '18304211', '9122046', '16553574', '11750253']","['G04CA01', 'G04CA51']",D07124,17300,PA164774795,,115,,CHEMBL709,50033110,ALFUZOSIN,51141,2092,COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N(C)CCCNC(=O)C1CCCO1,"InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)",WNMJYKCGWZFFKR-UHFFFAOYSA-N
DB00347,127-48-0,Trimethadione,approved,,N03AC02,D00392,10827,PA164744924,,2751,ZINC000001530710,CHEMBL695,50227239,,9727,5576,CN1C(=O)OC(C)(C)C1=O,InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3,IRYJRGCIQBGHIV-UHFFFAOYSA-N
DB00348,104206-65-7,Nitisinone,"['approved', 'investigational']",,A16AX04,,61805,PA164777037,,1944,ZINC000100014475,CHEMBL1337,50088804,NITISINONE,50378,115355,[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O,"InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2",OUBCNLGXQFSTLU-UHFFFAOYSA-N
DB00349,22316-47-8,Clobazam,"['illicit', 'approved']","['22242724', '2106335', '22422635', '3117456', '23034582', '2044502', '5777']",N05BA09,D01253,21241,PA10888,,682,ZINC000000001175,CHEMBL70418,50247888,HR-376,31413,2789,CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O,"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3",CXOXHMZGEKVPMT-UHFFFAOYSA-N
DB00350,38304-91-5,Minoxidil,"['approved', 'investigational']",17761356,"['D11AX01', 'C02DC01']",D00418,6984,PA450521,MXD,1814,ZINC000000001735,CHEMBL802,50237593,"U-10,858",6942,,NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1,"InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)",ZFMITUMMTDLWHR-UHFFFAOYSA-N
DB00351,595-33-5,Megestrol acetate,"['vet_approved', 'approved', 'investigational']","['12872362', '15846706', '19434889', '15050664', '16375643']","['L02AB01', 'G03AA04', 'G03DB02', 'G03AC05', 'G03FA08', 'G03FB04', 'G03AB01']",D00952,29451,PA450351,,1667,ZINC000004097467,CHEMBL1201139,50238674,MEGESTROL ACETATE,6723,11683,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,"InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1",RQZAXGRLVPAYTJ-GQFGMJRRSA-N
DB00352,154-42-7,Tioguanine,approved,,L01BB03,D08603,10485,PA451663,DX4,2632,ZINC000006382803,CHEMBL727,50200099,LANVIS,9555,2723601,NC1=NC(=S)C2=C(N1)N=CN2,"InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",WYWHKKSPHMUBEB-UHFFFAOYSA-N
DB00353,113-42-8,Methylergometrine,approved,,"['G02AC01', 'G02AB01']",D00680,6883,PA450461,H8D,1764,ZINC000095619105,CHEMBL1201356,50330860,METHYLERGOMETRINE,92607,8226,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO,"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1",UNBRKDKAWYKMIV-QWQRMKEZSA-N
DB00354,82-95-1,Buclizine,approved,"['3556262', '21572667', '13374321']","['R06AE51', 'R06AE01']",D07547,59636,PA164748223,,416,,CHEMBL1201271,,,3205,6729,CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3",MOYGZHXDRJNJEP-UHFFFAOYSA-N
DB00355,78110-38-0,Aztreonam,approved,,J01DF01,D00240,1272,PA448523,AZR,279,ZINC000003830264,CHEMBL158,50240480,CAYSTON,161680,135398736,C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(=O)O)\C2=CSC([NH3+])=N2)C(=O)N1S([O-])(=O)=O,"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1",WZPBZJONDBGPKJ-VEHQQRBSSA-N
DB00356,95-25-0,Chlorzoxazone,approved,"['16397290', '16859676', '16393464']","['M03BB03', 'M03BB53', 'M03BB73']",D00771,2410,PA448971,CLW,626,ZINC000084843283,CHEMBL1371,50290811,PARAFON,3655,2733,ClC1=CC2=C(OC(=O)N2)C=C1,"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",TZFWDZFKRBELIQ-UHFFFAOYSA-N
DB00357,125-84-8,Aminoglutethimide,"['approved', 'investigational']",,L02BG01,D00574,677,PA448375,,164,,CHEMBL488,9460,CYTADREN,2654,2145,CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1,"InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)",ROBVIMPUHSLWNV-UHFFFAOYSA-N
DB00358,53230-10-7,Mefloquine,"['approved', 'investigational']","['30541569', '3499298', '14967191', '28805982', '29083100', '18406614', '28288098', '7682911', '17404338', '11914150', '2208897']","['P01BC02', 'P01BF02']",D04895,6694,PA450348,,1665,,CHEMBL416956,50022889,LARIAM,63681,4046,OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2",XEEQGYMUWCZPDN-UHFFFAOYSA-N
DB00359,68-35-9,Sulfadiazine,"['vet_approved', 'approved', 'investigational']",,"['J01EE06', 'J01EE02', 'G01AE10', 'J01EC02']",D00587,10171,PA451539,,2500,ZINC000000120319,CHEMBL439,50166571,SILVAZINE,9328,5215,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ-UHFFFAOYSA-N
DB00360,62989-33-7,Sapropterin,"['approved', 'investigational']",10727395,A16AX07,D08505,753340,PA161990676,H4B,2612,ZINC000013585233,CHEMBL1201774,50373697,KUVAN,59560,135398654,[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1",FNKQXYHWGSIFBK-RPDRRWSUSA-N
DB00361,71486-22-1,Vinorelbine,"['approved', 'investigational']","['7973765', '20350282', '24871553', '11822766']",L01CA04,D08680,39541,PA451881,,2827,ZINC000085536958,CHEMBL553025,,VINORELBINE,480999,5311497,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC)[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC,"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1",GBABOYUKABKIAF-IELIFDKJSA-N
DB00362,166663-25-8,Anidulafungin,"['approved', 'investigational']","['20606829', '16117974', '17316149', '19877741', '19877740', '16779750', '19113794', '17044802']",J02AX06,D03211,341018,PA164742938,,4357,,CHEMBL264241,50417554,VER002,55346,166548,[H][C@]1(NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C1=O)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O,"InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1",JHVAMHSQVVQIOT-MFAJLEFUSA-N
DB00363,5786-21-0,Clozapine,approved,"['21524186', '32420002', '12630982', '28984748', '11900316', '8515788', '10074876']",N05AH02,D00283,2626,PA449061,,722,ZINC000019796155,CHEMBL42,50001884,FAZACLO,3766,135398737,CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12,"InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3",QZUDBNBUXVUHMW-UHFFFAOYSA-N
DB00364,54182-58-0,Sucralfate,approved,"['22242022', '2190306', '2612985', '1715673', '1957124', '341732', '6892775', '11019606', '7948825', '7430343']",A02BX02,,10156,PA451524,,,,,,,,,O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O,"InChI=1S/C12H22O35S8.9Al.20H2O/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;;20*1H2/q;9*+3;;;;;;;;;;;;;;;;;;;;/p-27/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1............................./s1",IPLJAZDIICJQEL-JTJNLBSYSA-A
DB00365,119914-60-2,Grepafloxacin,"['withdrawn', 'approved', 'investigational']",,J01MA11,,83719,PA449812,,1330,,CHEMBL583,50117924,OPC-17116,5543,72474,CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O,"InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)",AIJTTZAVMXIJGM-UHFFFAOYSA-N
DB00366,469-21-6,Doxylamine,"['vet_approved', 'approved']",,"['R06AA59', 'R06AA09']",D02327,3642,PA449419,,962,,CHEMBL1004,50239996,DOXYLAMINE SUCCINATE,51380,3162,CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1,"InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3",HCFDWZZGGLSKEP-UHFFFAOYSA-N
DB00367,797-63-7,Levonorgestrel,"['approved', 'investigational']","['12169384', '16291771', '16860047', '2175153', '10715364', '12283720', '25698840', '24708837', '30656992', '23680641', '19707273', '25117156', '2143719', '24062495', '30703352', '27525548']","['G03AB03', 'G03FB09', 'G03AD01', 'G03AC03', 'G03FA11', 'G03AA07']",D00950,6373,PA450218,NOG,1572,ZINC000003814395,CHEMBL1389,50410522,LEVONORGESTREL,6443,13109,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",WWYNJERNGUHSAO-XUDSTZEESA-N
DB00368,51-41-2,Norepinephrine,approved,,C01CA03,D00076,7512,PA450649,LNR,1960,ZINC000000057624,CHEMBL1437,50029051,NORADRENALINE,18357,439260,NC[C@H](O)C1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",SFLSHLFXELFNJZ-QMMMGPOBSA-N
DB00369,113852-37-2,Cidofovir,approved,,J05AB12,,1546007,PA448997,L8P,639,ZINC000001530600,CHEMBL152,31915,CIDOFOVIR,3696,60613,NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1,"InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1",VWFCHDSQECPREK-LURJTMIESA-N
DB00370,85650-52-8,Mirtazapine,approved,"['11607047', '19193341', '22241371', '20127940', '29106542', '16342227', '19453203', '16272179', '12372565', '12404669', '24511451', '28367128', '22760168', '16649829', '9090576', '30155392', '19381036', '11757992', '29955558', '10446735', '22860241', '15014675', '23440470', '18568129', '17478791', '10333982', '10885584', '26989965']",N06AX11,D00563,15996,PA450522,,1816,,CHEMBL654,50115644,ORG-3770,6950,4205,CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1,"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3",RONZAEMNMFQXRA-UHFFFAOYSA-N
DB00371,57-53-4,Meprobamate,"['illicit', 'approved']",,"['N05CX01', 'N05BC51', 'N05BC01']",D00376,6760,PA450377,,1704,ZINC000001530701,CHEMBL979,,,6761,4064,CCCC(C)(COC(N)=O)COC(N)=O,"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",NPPQSCRMBWNHMW-UHFFFAOYSA-N
DB00372,1420-55-9,Thiethylperazine,"['withdrawn', 'approved']",2904251,R06AD03,D02354,10471,PA164748882,,2630,ZINC000022446674,CHEMBL1378,78436,THIETHYLPERAZINE,9544,5440,CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,"InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3",XCTYLCDETUVOIP-UHFFFAOYSA-N
DB00373,26839-75-8,Timolol,approved,"['6314218', '21385322', '3946944', '12107508', '6840172', '17366003', '721948', '27534869', '17431033', '25211851', '7248483', '363400', '6765488', '6649055', '6370874']","['S01ED51', 'C07BA06', 'C07AA06', 'S01ED01', 'C07DA06']",,10600,PA451690,TIM,4061,ZINC000000002176,CHEMBL499,50292219,ISTALOL,9599,33624,[H][C@](O)(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1",BLJRIMJGRPQVNF-JTQLQIEISA-N
DB00374,81846-19-7,Treprostinil,"['approved', 'investigational']",,B01AC21,,343048,PA164768801,,2720,ZINC000003800475,CHEMBL1237119,,15-AU-81,50861,6918140,[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1,"InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1",PAJMKGZZBBTTOY-ZFORQUDYSA-N
DB00375,26658-42-4,Colestipol,approved,,C10AC02,,2685,PA449096,,,,,,,,,,,
DB00376,144-11-6,Trihexyphenidyl,approved,"['30137772', '2432979', '18152926', '15490448', '31644162', '7658345', '30707939', '4037749', '31643310']",N04AA01,D08638,10811,PA164747026,,2745,,CHEMBL1490,81462,TRIHEXYPHENIDYL,9720,5572,OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2",HWHLPVGTWGOCJO-UHFFFAOYSA-N
DB00377,135729-56-5,Palonosetron,"['approved', 'investigational']","['16163194', '17106506', '14760130', '15139789', '15378559', '15102873', '19852528']","['A04AA05', 'A04AA55']",D07175,70561,PA10352,O7B,,ZINC000003795819,CHEMBL1189679,50417287,ALOXI,85161,6337614,[H][C@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@@H]1CN2CCC1CC2,"InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1",CPZBLNMUGSZIPR-NVXWUHKLSA-N
DB00378,152-62-5,Dydrogesterone,"['withdrawn', 'approved', 'investigational']",,"['G03FB08', 'G03FA14', 'G03DB01']",D01217,3706,PA164745443,,975,ZINC000003875998,CHEMBL1200853,,DYDROGESTERONE,31527,9051,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C,"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1",JGMOKGBVKVMRFX-HQZYFCCVSA-N
DB00379,31828-71-4,Mexiletine,"['approved', 'investigational']",,C01BB02,,6926,PA450488,,1794,,CHEMBL558,50117271,MEXILETINE HYDROCHLORIDE,6916,4178,CC(N)COC1=C(C)C=CC=C1C,"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3",VLPIATFUUWWMKC-UHFFFAOYSA-N
DB00380,24584-09-6,Dexrazoxane,"['withdrawn', 'approved']","['17115008', '18028016', '9888268', '17652819', '18230055']",V03AF02,D03730,42736,PA449259,CDX,839,ZINC000087515509,CHEMBL1738,,DEXRAZOXANE HYDROCHLORIDE,50223,71384,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1",BMKDZUISNHGIBY-ZETCQYMHSA-N
DB00381,88150-42-9,Amlodipine,approved,"['16855075', '1834847', '2943308', '9156957', '1532771', '27752334']","['C08CA01', 'C10BX14', 'C07FB12', 'C09BX01', 'C09BB04', 'C09BB07', 'C10BX07', 'C09DX03', 'C09DB01', 'C09XA54', 'C09DB09', 'C09DB04', 'C08GA02', 'C09DB05', 'C09DB07', 'C09DX07', 'C09DX01', 'C10BX03', 'C09DX06', 'C09BB03', 'C09BX04', 'C09XA53', 'C10BX11', 'C10BX09', 'C07FB07', 'C09BX03', 'C07FB13', 'C09DB06', 'C08CA51', 'C09DB02']",D07450,17767,PA448388,,183,,CHEMBL1491,50088383,AMLODIPINE MALEATE,2668,2162,CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3",HTIQEAQVCYTUBX-UHFFFAOYSA-N
DB00382,321-64-2,Tacrine,"['withdrawn', 'approved', 'investigational']","['9842955', '20480924']",N06DA01,D08555,10318,PA451576,THA,2551,ZINC000019014866,CHEMBL95,8961,COGNEX,45980,1935,NC1=C2CCCCC2=NC2=CC=CC=C12,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)",YLJREFDVOIBQDA-UHFFFAOYSA-N
DB00383,125-53-1,Oxyphencyclimine,approved,,"['A03CA03', 'A03AA01']",D08325,32698,PA164776910,,2026,,CHEMBL1495,,,7868,4642,CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3",DUDKAZCAISNGQN-UHFFFAOYSA-N
DB00384,396-01-0,Triamterene,approved,"['26194642', '6831748', '4552822', '7166735', '133688', '6628507', '16035375', '13863613', '2455308', '130243']",C03DB02,D00386,10763,PA451752,DX2,2728,ZINC000000120286,CHEMBL585,6644,TRIAMTERENE,9671,5546,NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1,"InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)",FNYLWPVRPXGIIP-UHFFFAOYSA-N
DB00385,56124-62-0,Valrubicin,approved,,L01DB09,,31435,PA164748616,,2805,ZINC000049783788,CHEMBL1096885,50248236,VALRUBICIN,135876,454216,[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(OC)C=CC=C1C3=O)C(=O)COC(=O)CCCC)O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1,"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1",ZOCKGBMQLCSHFP-KQRAQHLDSA-N
DB00387,77-37-2,Procyclidine,approved,5556140,N04AA04,D08425,8718,PA164784001,,2276,,CHEMBL86715,50062598,,8448,4919,OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",WYDUSKDSKCASEF-UHFFFAOYSA-N
DB00388,59-42-7,Phenylephrine,approved,"['31145702', '18609981', '7507589', '30521222', '26267590']","['R01BA53', 'C01CA06', 'R01BA03', 'S01FB01', 'S01FB51', 'S01GA55', 'R01AA04', 'R01AB01', 'S01GA05']",D08365,8163,PA450935,,2146,ZINC000000113355,CHEMBL1215,50067212,PHENYLEPHRINE HYDROCHLORIDE,8093,6041,CNC[C@H](O)C1=CC(O)=CC=C1,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1",SONNWYBIRXJNDC-VIFPVBQESA-N
DB00389,22232-54-8,Carbimazole,"['approved', 'investigational']",,H03BB01,D07616,2020,PA164742970,,497,ZINC000000001091,CHEMBL508102,50275889,CARBIMAZOLE,617099,31072,CCOC(=O)N1C=CN(C)C1=S,"InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3",CFOYWRHIYXMDOT-UHFFFAOYSA-N
DB00390,20830-75-5,Digoxin,approved,"['30066080', '26635929', '5778245', '857452', '18626064', '1149366', '18771592', '15685783', '2472517', '21769303', '8094898', '322907', '7796444', '27156593', '27637120', '15554746', '18823299', '26975913', '6665298']",C01AA05,D00298,3407,PA449319,DGX,882,ZINC000242548690,CHEMBL1751,46355,DIGOXIN,4551,2724385,[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1,"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1",LTMHDMANZUZIPE-PUGKRICDSA-N
DB00391,15676-16-1,Sulpiride,"['approved', 'investigational']","['11343578', '96745', '7418717', '4965550', '31244443', '26742031', '23899638', '8800626', '7046370']",N05AL01,D01226,10239,PA164745485,,2537,,CHEMBL26,11638,SULPOR,32168,5355,CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)",BGRJTUBHPOOWDU-UHFFFAOYSA-N
DB00392,522-00-9,Profenamine,approved,,N04AA05,D01118,4134,PA449531,,1086,,CHEMBL1206,8958,,313639,3290,CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3",CDOZDBSBBXSXLB-UHFFFAOYSA-N
DB00393,66085-59-4,Nimodipine,"['approved', 'investigational']","['6338383', '17110283', '19021025', '12657973', '12540643', '19844625']",C08CA06,D00438,7426,PA450633,,1937,,CHEMBL1428,50101971,NIMODIPINE,7575,4497,COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C,"InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3",UIAGMCDKSXEBJQ-UHFFFAOYSA-N
DB00394,5534-09-8,Beclomethasone dipropionate,"['approved', 'investigational']","['4753325', '9563370', '25674176', '16604091', '6381025', '11421996', '9373450', '9854452', '8750396']","['A07EA07', 'D07CC04', 'R03AK08', 'R01AD01', 'R03AK13', 'D07AC15', 'R03BA01', 'R03AL09']",D07495,1348,PA448547,,294,ZINC000003938744,CHEMBL1200500,,BECONASE,3002,21700,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1",KUVIULQEHSCUHY-XYWKZLDCSA-N
DB00395,78-44-4,Carisoprodol,approved,"['20419052', '18042478', '4980885', '8322081', '21884720', '20088817', '8946470', '19908948', '27758843', '15276195', '16402094', '15530999']","['M03BA72', 'M03BA02', 'M03BA52']",D00768,2101,PA448809,,509,,CHEMBL1233,,CARISOPRODOL,3419,2576,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,"InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)",OFZCIYFFPZCNJE-UHFFFAOYSA-N
DB00396,57-83-0,Progesterone,"['vet_approved', 'approved']","['10584066', '30013421', '4922128', '9328296', '17747122', '20104424', '29550390', '27567593', '3184927', '23071418', '27380738', '24606090', '19753133', '15135772']","['G03FA04', 'G03DA04']",D00066,8727,PA451123,STR,2279,ZINC000004428529,CHEMBL103,8903,CRINONE,17026,5994,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",RJKFOVLPORLFTN-LEKSSAKUSA-N
DB00397,14838-15-4,Phenylpropanolamine,"['withdrawn', 'vet_approved', 'approved']",,"['R01BA51', 'R01BA01']",,8175,PA164748965,,2149,,CHEMBL61006,50022722,PHENYLPROPANOLAMINE HYDROCHLORIDE,,4786,CC(N)C(O)C1=CC=CC=C1,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3",DLNKOYKMWOXYQA-UHFFFAOYSA-N
DB00398,284461-73-0,Sorafenib,"['approved', 'investigational']",,L01XE05,D08524,495881,PA7000,BAX,2459,ZINC000001493878,CHEMBL1336,16673,NEXAVAR,50924,216239,CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1,"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)",MLDQJTXFUGDVEO-UHFFFAOYSA-N
DB00399,118072-93-8,Zoledronic acid,approved,"['30650219', '11870242', '23044853', '8053405', '17878149', '9145236', '21555003', '16000365', '28000034', '18214569', '19101859']","['M05BB08', 'M05BA08']",D01968,1546014,PA10235,ZOL,2868,ZINC000003803652,CHEMBL924,12578,AK-156,46557,68740,OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)",XRASPMIURGNCCH-UHFFFAOYSA-N
DB00400,126-07-8,Griseofulvin,"['vet_approved', 'approved', 'investigational']",,"['D01AA08', 'D01BA01']",D00209,5021,PA449814,,1331,ZINC000000622123,CHEMBL562,31775,"GRISEOFULVIN, MICROSIZE",27779,441140,COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",DDUHZTYCFQRHIY-RBHXEPJQSA-N
DB00401,63675-72-9,Nisoldipine,approved,"['11720635', '14530219', '15834448']",C08CA07,D00618,7435,PA450634,,1942,,CHEMBL1726,50101963,BAY-K-5552,76917,4499,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C,"InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3",VKQFCGNPDRICFG-UHFFFAOYSA-N
DB00402,138729-47-2,Eszopiclone,"['approved', 'investigational']","['25817320', '17499107', '16373464', '11274997', '18973287', '2874974', '16424933', '23126273', '19942638']",N05CF04,,461016,PA162630444,,1068,ZINC000019632834,CHEMBL1522,50247998,ESTORRA,53760,969472,CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1",GBBSUAFBMRNDJC-INIZCTEOSA-N
DB00403,17650-98-5,Ceruletide,approved,,V04CC04,D03442,,PA164774919,,579,,CHEMBL1201355,,,59219,16129675,[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1",YRALAIOMGQZKOW-HYAOXDFASA-N
DB00404,28981-97-7,Alprazolam,"['illicit', 'approved', 'investigational']","['12124305', '14978513', '15644443', '28777203', '30844192', '29407219', '30602790', '29903580', '25300043', '19515014', '31129381', '29716746', '8513649']",N05BA12,D00225,596,PA448333,08H,136,ZINC000000000903,CHEMBL661,50001728,NIRAVAM,2611,2118,CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",VREFGVBLTWBCJP-UHFFFAOYSA-N
DB00405,132-21-8,Dexbrompheniramine,approved,,"['R06AB06', 'R06AB56']",,22696,PA164746251,,830,ZINC000000000096,CHEMBL1201287,,,59269,16960,CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1",ZDIGNSYAACHWNL-HNNXBMFYSA-N
DB00406,7438-46-2,Gentian violet cation,approved,,"['G01AX09', 'D01AE02']",D01046,1546369,PA449755,CVI,,ZINC000013763987,CHEMBL459265,50052802,GENTIAN VIOLET,77181,3468,CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C,"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1",LGLFFNDHMLKUMI-UHFFFAOYSA-N
DB00407,9005-49-6,Ardeparin,"['withdrawn', 'approved', 'investigational']",,,D02980,87866,PA164754878,,,,,,,,,,,
DB00408,1977-10-2,Loxapine,approved,"['10340686', '1860915']",N05AH01,D02340,6475,PA450273,,1613,ZINC000019796158,CHEMBL831,22871,LOXITANE IM,50841,3964,CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2,"InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",XJGVXQDUIWGIRW-UHFFFAOYSA-N
DB00409,80125-14-0,Remoxipride,"['withdrawn', 'approved']","['1978486', '10958256', '11607043', '8329289', '8405075', '2901121', '9577836', '20927748']",N05AL04,,35350,PA164749051,,2365,ZINC000002021799,CHEMBL22242,50026045,,92948,54477,CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC,"InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1",GUJRSXAPGDDABA-NSHDSACASA-N
DB00410,12650-69-0,Mupirocin,"['vet_approved', 'approved', 'investigational']","['2502615', '2112164', '3146455', '26142407', '1684188']","['D06AX09', 'R01AX06']",D01076,42372,PA164764568,MRC,1857,ZINC000004102194,CHEMBL719,50290686,BRL-4910A,7025,446596,C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1",MINDHVHHQZYEEK-HBBNESRFSA-N
DB00411,462-58-8,Carbamoylcholine,approved,"['20786063', '30137840', '16740173', '3230520', '18874896', '30844190', '19006330']","['S01EB02', 'N07AB01']",D00524,1546387,PA448784,CCE,,ZINC000003079342,CHEMBL965,50004656,MIOSTAT,,2551,C[N+](C)(C)CCOC(N)=O,"InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1",VPJXQGSRWJZDOB-UHFFFAOYSA-O
DB00412,122320-73-4,Rosiglitazone,"['approved', 'investigational']","['15181049', '17145742']","['A10BD03', 'A10BG02', 'A10BD04']",D00596,84108,PA451283,BRL,2405,,CHEMBL121,50030474,ROSIGLITAZONE MALEATE,50122,77999,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1,"InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)",YASAKCUCGLMORW-UHFFFAOYSA-N
DB00413,104632-26-0,Pramipexole,"['approved', 'investigational']","['20123553', '21892895', '17854248', '18728740', '18248314', '30287051', '28626420', '18467168', '22675666', '7754303', '7664822']",N04BC05,D00559,746741,PA164742949,G6L,2233,ZINC000003781664,CHEMBL301265,50116766,PRAMIPEXOLE DIHYDROCHLORIDE MONOHYDRATE,8356,119570,CCCN[C@H]1CCC2=C(C1)SC(N)=N2,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1",FASDKYOPVNHBLU-ZETCQYMHSA-N
DB00414,968-81-0,Acetohexamide,"['withdrawn', 'approved', 'investigational']",,A10BB31,D00219,173,PA164777011,,57,ZINC000018067894,CHEMBL1589,,ACETOHEXAMIDE,28052,1989,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)",VGZSUPCWNCWDAN-UHFFFAOYSA-N
DB00415,69-53-4,Ampicillin,"['vet_approved', 'approved']",,"['J01CA51', 'J01CR50', 'J01CA01', 'S01AA19']",D00204,221058,PA448419,AIC,198,ZINC000003830218,CHEMBL174,50350465,POLYCILLIN,28971,7048611,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",AVKUERGKIZMTKX-NJBDSQKTSA-N
DB00416,7601-55-0,Metocurine iodide,"['withdrawn', 'approved']",,,D00761,203206,PA164749507,,,,CHEMBL1739,,,6901,24244,[I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3,"InChI=1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1",DIGFQJFCDPKEPF-OIUSMDOTSA-L
DB00417,87-08-1,Phenoxymethylpenicillin,"['vet_approved', 'approved']","['16467547', '15758893', '3924086', '23594463', '30181520', '6811219']","['J01CE02', 'J01CR50', 'J01CE10']",D05411,7984,PA164745442,PNV,2083,ZINC000003831282,CHEMBL615,50370584,PENAPAR-VK,27446,6869,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",BPLBGHOLXOTWMN-MBNYWOFBSA-N
DB00418,76-73-3,Secobarbital,"['vet_approved', 'approved']",,"['N05CA06', 'N05CB01']",D00430,9624,PA164784035,,2428,,CHEMBL447,,SECONAL,9073,5193,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",KQPKPCNLIDLUMF-UHFFFAOYSA-N
DB00419,72599-27-0,Miglustat,approved,"['14609352', '17689147', '16247743', '19956552', '14757169', '17720777', '12803929']",A16AX06,D05032,402316,PA10140,NBV,1807,ZINC000003794711,CHEMBL1029,18355,MIGLUSTAT,50381,51634,CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1",UQRORFVVSGFNRO-UTINFBMNSA-N
DB00420,58-40-2,Promazine,"['vet_approved', 'approved']",21685861,N05AA03,D08430,8742,PA451126,P2Z,2284,ZINC000000010402,CHEMBL564,67545,,8459,4926,CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3",ZGUGWUXLJSTTMA-UHFFFAOYSA-N
DB00421,52-01-7,Spironolactone,approved,"['2723123', '15947888', '363379', '7895608', '13608362', '31065620', '22468178', '28024992', '9144743', '3675606', '15134800']",C03DA01,D00443,9997,PA451483,SNL,2475,ZINC000003861599,CHEMBL1393,50228080,SC-9420,9241,5833,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O,"InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1",LXMSZDCAJNLERA-ZHYRCANASA-N
DB00422,113-45-1,Methylphenidate,"['approved', 'investigational']","['15661631', '24193139', '21890109', '2190251', '11524026', '9708845', '17201613', '30633928', '16806100', '22763750', '18591484']",N06BA04,D04999,6901,PA450464,,1767,,CHEMBL796,50062912,SPD-544,84276,4158,COC(=O)C(C1CCCCN1)C1=CC=CC=C1,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3",DUGOZIWVEXMGBE-UHFFFAOYSA-N
DB00423,532-03-6,Methocarbamol,"['vet_approved', 'approved']","['2253675', '9109959', '25050056', '5548215', '20325834', '5413283', '13538683']","['M03BA03', 'M03BA73', 'M03BA53']",D00402,6845,PA164749506,,1747,,CHEMBL1201117,50239995,ROBAXIN,77498,4107,COC1=C(OCC(O)COC(N)=O)C=CC=C1,"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)",GNXFOGHNGIVQEH-UHFFFAOYSA-N
DB00424,101-31-5,Hyoscyamine,approved,"['30332050', '32491473', '4156705', '22222703', '18217788', '30813289']","['A03BA03', 'A03CB31']",D00147,153970,PA164776844,HYO,1402,ZINC000100009280,CHEMBL1331216,50239982,HYOSCYAMINE,17486,,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1",RKUNBYITZUJHSG-FXUDXRNXSA-N
DB00425,82626-48-0,Zolpidem,approved,"['26579377', '24563183', '10721397', '1521672', '17049955', '15651908', '21353710', '23462249', '19345234', '11090095', '8521677', '1670039', '2871178']",N05CF02,,39993,PA451976,,2870,ZINC000000003876,CHEMBL911,26266,STILNOX,10125,5732,CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3",ZAFYATHCZYHLPB-UHFFFAOYSA-N
DB00426,104227-87-4,Famciclovir,"['approved', 'investigational']",,"['S01AD07', 'J05AB09']",D00317,68099,PA449585,,1128,ZINC000001530635,CHEMBL880,50248001,FAMCICLOVIR,4974,3324,CC(=O)OCC(CCN1C=NC2=CN=C(N)N=C12)COC(C)=O,"InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)",GGXKWVWZWMLJEH-UHFFFAOYSA-N
DB00427,486-12-4,Triprolidine,approved,"['3620284', '7913608', '2866055', '2568212']",R06AX07,D01782,10849,PA451797,,2763,ZINC000012503099,CHEMBL855,50292411,,84116,5282443,CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1,"InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+",CBEQULMOCCWAQT-WOJGMQOQSA-N
DB00428,18883-66-4,Streptozocin,"['approved', 'investigational']","['7926307', '4170654', '11459269', '9421374', '13841501']",L01AD04,D05932,10114,PA451514,,2483,ZINC000003977737,,,,9288,29327,CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1",ZSJLQEPLLKMAKR-GKHCUFPYSA-N
DB00429,58551-69-2,Carboprost tromethamine,approved,,G02AD04,D00682,2051,PA164754883,,,,CHEMBL1237105,,,,154701741,NC(CO)(CO)CO.CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C21H36O5.C4H11NO3/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19-,21+;/m1./s1",UMMADZJLZAPZAW-XOWPVRJPSA-N
DB00430,70797-11-4,Cefpiramide,approved,"['8651827', '11810540', '1503486']",J01DD11,D01904,,PA164748136,,552,ZINC000004215257,CHEMBL1201204,,,59213,636405,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)C1=C(O)C=C(C)N=C1)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1",PWAUCHMQEXVFJR-PMAPCBKXSA-N
DB00431,58-89-9,Lindane,"['withdrawn', 'approved']","['17636630', '18335087']",P03AB02,D00360,1388,PA164754914,,1583,,CHEMBL15891,50410525,KWELL,32888,,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,"InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+",JLYXXMFPNIAWKQ-GNIYUCBRSA-N
DB00432,70-00-8,Trifluridine,"['approved', 'investigational']","['29568368', '110152', '6284470', '27568360']","['S01AD02', 'L01BC59']",D00391,10803,PA451775,,2743,ZINC000003842753,CHEMBL1129,50132298,TRIFLURIDINE,75179,6256,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)F,"InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1",VSQQQLOSPVPRAZ-RRKCRQDMSA-N
DB00433,58-38-8,Prochlorperazine,"['vet_approved', 'approved']","['1553856', '3828192', '21365391', '1768559', '16291713', '18556493']",N05AB04,D00493,8704,PA451114,P77,2274,ZINC000019796018,CHEMBL728,78434,PROCHLORPERAZINE DIMALEATE,8435,4917,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3",WIKYUJGCLQQFNW-UHFFFAOYSA-N
DB00434,129-03-3,Cyproheptadine,approved,"['17287588', '32665417', '21819287', '29493999', '31839590', '238818', '15083941']",R06AX02,,3013,PA164749366,C7H,765,ZINC000000968264,CHEMBL516,50017721,PERITOL,4046,2913,CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3",JJCFRYNCJDLXIK-UHFFFAOYSA-N
DB00435,10102-43-9,Nitric Oxide,approved,17237348,R07AX01,D00074,7442,PA450635,,1948,,CHEMBL1200689,,INOVENT,16480,145068,[N]=O,InChI=1S/NO/c1-2,MWUXSHHQAYIFBG-UHFFFAOYSA-N
DB00436,73-48-3,Bendroflumethiazide,approved,,"['C03EA13', 'C03AB01', 'G01AE10', 'C03AA01']",D00650,1369,PA448563,,305,,CHEMBL1684,50238678,NATURETIN,3013,2315,NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F,"InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)",HDWIHXWEUNVBIY-UHFFFAOYSA-N
DB00437,315-30-0,Allopurinol,approved,"['16507884', '3536254', '19436671', '6409116', '20203467', '10583019', '25314636', '28748116', '19584965', '20046204']","['M04AA01', 'M04AA51']",D00224,519,PA448320,7HP,124,ZINC000013298313,CHEMBL1467,181133,ALLOPURINOL,40279,135401907,OC1=NC=NC2=C1C=NN2,"InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",OFCNXPDARWKPPY-UHFFFAOYSA-N
DB00438,72558-82-8,Ceftazidime,approved,"['33106266', '18250190', '25561334', '29671219', '28693993', '6413485', '27329032', '3884319', '9212783', '29712652', '31747090']",J01DD02,D07654,1545984,PA448861,,559,,CHEMBL44354,50420259,LY-139381,3508,57514439,[O-]C(=O)C1=C(CS[C@]2([H])[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C3=CSC(N)=N3)C(=O)N12)C[N+]1=CC=CC=C1,"InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1",ORFOPKXBNMVMKC-DWVKKRMSSA-N
DB00439,145599-86-6,Cerivastatin,"['withdrawn', 'approved']",11806796,C10AA06,,596723,PA448897,116,577,ZINC000011330186,CHEMBL1477,18376,BAY-W-6228,3558,446156,COCC1=C(C2=CC=C(F)C=C2)C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)=C(C(C)C)N=C1C(C)C,"InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1",SEERZIQQUAZTOL-ANMDKAQQSA-N
DB00440,738-70-5,Trimethoprim,"['vet_approved', 'approved']","['12103291', '30528339', '12239226', '26702643', '16150859', '26138612', '1093654', '3536256', '8195839', '8071675']","['J01EE02', 'J01EE04', 'J01EE01', 'J01EE03', 'J01EE07', 'J04AM08', 'J01EE05', 'J01EA01']",D00145,10829,PA451788,TOP,2755,ZINC000006627681,CHEMBL22,18069,TRIMETHOPRIM HYDROCHLORIDE,45924,5578,COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",IEDVJHCEMCRBQM-UHFFFAOYSA-N
DB00441,95058-81-4,Gemcitabine,approved,"['27007129', '16555971', '9279506']",L01BC05,D02368,12574,PA449748,GEO,1283,ZINC000018279854,CHEMBL888,429521,GEMCITABINE,175901,60750,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,"InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1",SDUQYLNIPVEERB-QPPQHZFASA-N
DB00442,142217-69-4,Entecavir,"['approved', 'investigational']",,J05AF10,D04008,1546027,PA164784025,,1019,ZINC000003802690,CHEMBL713,50248008,ENTECAVIR HYDRATE,473990,135398508,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C,"InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1",QDGZDCVAUDNJFG-FXQIFTODSA-N
DB00443,378-44-9,Betamethasone,"['vet_approved', 'approved']","['27279294', '30285357', '29411351', '5442584', '24347992', '31808984', '15634032', '29273683', '31643719', '23213332', '29568666']","['S01BA06', 'D07BC01', 'C05AA05', 'S01CA05', 'H02AB01', 'S03CA06', 'D07AC01', 'S03BA03', 'S01CB04', 'S01BB04', 'R01AD06', 'D07CC01', 'A07EA04', 'D07XC01', 'S02BA07', 'R03BA04']",D00244,1514,PA164754818,,348,ZINC000003876136,CHEMBL632,73823,BETAMETHASONE,3077,9782,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",UREBDLICKHMUKA-DVTGEIKXSA-N
DB00444,29767-20-2,Teniposide,approved,,L01CB02,D02698,10362,PA451611,9TP,2590,ZINC000004099009,CHEMBL452231,50248198,TENIPOSIDE,75988,452548,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=C(C=C3OCOC3=C1)[C@H]2O[C@]1([H])O[C@]2([H])CO[C@H](O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1,"InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1",NRUKOCRGYNPUPR-QBPJDGROSA-N
DB00445,56420-45-2,Epirubicin,approved,,L01DB03,,3995,PA449476,,1030,ZINC000003938704,CHEMBL417,43839,ELLENCE,47898,41867,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1",AOJJSUZBOXZQNB-VTZDEGQISA-N
DB00446,56-75-7,Chloramphenicol,"['vet_approved', 'approved']","['6464136', '1681224', '1398851', '16039333', '538813']","['J01BA01', 'S03AA08', 'G01AA05', 'S02AA01', 'D10AF03', 'S01AA01', 'D06AX02']",D00104,2348,PA448927,CLM,589,ZINC000000113382,CHEMBL130,23447,CHLOROMYCETIN,17698,5959,OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",WIIZWVCIJKGZOK-RKDXNWHRSA-N
DB00447,76470-66-1,Loracarbef,"['withdrawn', 'approved', 'investigational']","['8155686', '7686466', '1621741', '8453172']",J01DC08,D00916,28981,PA164754806,,1603,ZINC000001530993,CHEMBL1013,,LORACARBEF,47544,44311686,N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1,"InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1",JAPHQRWPEGVNBT-UTUOFQBUSA-N
DB00448,103577-45-3,Lansoprazole,"['approved', 'investigational']","['1382017', '11693467', '23539016', '15017606', '11825309', '23350044', '30916878', '19006606']","['A02BD10', 'A02BD03', 'A02BD07', 'A02BD02', 'A02BC53', 'A02BD09', 'A02BC03']",D00355,17128,PA450180,,1547,,CHEMBL480,47032,OGAST,6375,3883,CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1,"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)",MJIHNNLFOKEZEW-UHFFFAOYSA-N
DB00449,52365-63-6,Dipivefrin,approved,,S01EA02,D02349,23410,PA449364,,922,,CHEMBL1201262,,DIPIVEFRINE HYDROCHLORIDE,4646,3105,CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1,"InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3",OCUJLLGVOUDECM-UHFFFAOYSA-N
DB00450,548-73-2,Droperidol,"['vet_approved', 'approved']",,N05AD08,D00308,3648,PA449422,USS,966,ZINC000019796080,CHEMBL1108,50017705,DROLEPTAN,4717,3168,FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12,"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)",RMEDXOLNCUSCGS-UHFFFAOYSA-N
DB00451,51-48-9,Levothyroxine,approved,"['20051527', '31214119', '6595194', '29589994', '11901210', '26303085', '24680385', '15802494', '17983645', '11172193', '27718637', '25266247']",H03AA01,D08125,10582,PA450221,T44,2646,ZINC000003830993,CHEMBL1624,408980,LEVOXYL,58448,5819,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1",XUIIKFGFIJCVMT-LBPRGKRZSA-N
DB00452,119-04-0,Framycetin,approved,,"['R01AX08', 'D09AA01', 'S01AA07']",D05140,4556,PA164743181,NMY,1896,ZINC000071928291,CHEMBL184618,19,NEOMYCIN B,7508,8378,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",PGBHMTALBVVCIT-VCIWKGPPSA-N
DB00453,1181-54-0,Clomocycline,experimental,,J01AA11,D06885,21272,PA164771235,,702,ZINC000004212626,CHEMBL2106071,,,59589,,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C)C(=O)C1=C(C(Cl)=CC=C1O)[C@@]3(C)O,"InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1",GJGDLRSSCNAKGL-KMVLDZISSA-N
DB00454,57-42-1,Meperidine,approved,,"['N02AB52', 'N02AB02', 'N02AB72', 'N02AG03']",D08343,6754,PA450369,,1690,ZINC000000001681,CHEMBL607,50026752,PETHIDINE,6754,4058,CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1,"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3",XADCESSVHJOZHK-UHFFFAOYSA-N
DB00455,79794-75-5,Loratadine,"['approved', 'investigational']","['23723474', '1977783', '2525847', '11291777', '29670310', '2523301', '19702548', '17180728', '23564211', '1977506', '14655812', '27460981', '12852841', '25595597', '9444440', '29371864']",R06AX13,D00364,28889,PA450266,,1605,ZINC000000537931,CHEMBL998,22876,SCH-29851,6538,3957,CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2,"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3",JCCNYMKQOSZNPW-UHFFFAOYSA-N
DB00456,153-61-7,Cefalotin,"['vet_approved', 'approved', 'investigational']",,J01DB03,D07635,2236,PA448886,CLS,574,ZINC000003830507,CHEMBL617,82898,CEFALOTIN,124991,6024,[H][C@@]1(NC(=O)CC2=CC=CS2)C(=O)N2C(C(O)=O)=C(COC(C)=O)CS[C@]12[H],"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1",XIURVHNZVLADCM-IUODEOHRSA-N
DB00457,19216-56-9,Prazosin,approved,"['2451639', '2869681', '17353349', '22883741', '6994981', '6303744', '12461301', '17444339', '7285477', '27131036', '12923045', '2862237', '12827214', '24490030', '22943034']","['C02LE01', 'C02CA01']",D08411,8629,PA451093,XRA,4209,ZINC000095616601,CHEMBL2,29568,MINIPRESS,8364,4893,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1,"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",IENZQIKPVFGBNW-UHFFFAOYSA-N
DB00458,50-49-7,Imipramine,approved,"['17762509', '17471183', '9846782', '3029045', '8852528', '11147243', '2185906', '16925191', '16968950']",N06AA02,D08070,5691,PA449969,IXX,1427,ZINC000000020245,CHEMBL11,50010859,IMIPRAMINE HYDROCHLORIDE,47499,3696,CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3",BCGWQEUPMDMJNV-UHFFFAOYSA-N
DB00459,55079-83-9,Acitretin,approved,,D05BB02,D02754,16818,PA448039,,78,ZINC000003798734,CHEMBL1131,50088429,RO 10-1670,50173,5284513,COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1,"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+",IHUNBGSDBOWDMA-AQFIFDHZSA-N
DB00460,129497-78-5,Verteporfin,"['approved', 'investigational']","['20162298', '16945338']",S01LA01,D01162,118886,PA451871,,,,CHEMBL2052016,,,,,COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C2=CC=C([C@@H](C(=O)OC)[C@@]32C)C(=O)OC)=C1C,"InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/b28-16-,29-17-,30-19-,31-16-,32-18-,33-18-,34-17-,35-19-/t38-,41+/m0/s1",YTZALCGQUPRCGW-MXVXOLGGSA-N
DB00461,42924-53-8,Nabumetone,approved,"['22981510', '9435990', '24659525', '23584048', '24083957', '1474529', '19204080', '23063076']",M01AX01,D00425,31448,PA450572,NBO,1863,ZINC000000020221,CHEMBL1070,40128,BRL-14777,7443,4409,COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2,"InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3",BLXXJMDCKKHMKV-UHFFFAOYSA-N
DB00462,155-41-9,Methscopolamine bromide,approved,,,D00715,56092,PA164784032,,,,CHEMBL1354199,,,61276,,[Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1",CXYRUNPLKGGUJF-RAFJPFSSSA-M
DB00463,50-11-3,Metharbital,withdrawn,,N03AA30,D01382,6825,PA164746525,,1740,ZINC000005508997,CHEMBL450,,,31827,4099,CCC1(CC)C(=O)NC(=O)N(C)C1=O,"InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)",FWJKNZONDWOGMI-UHFFFAOYSA-N
DB00464,139-88-8,Sodium tetradecyl sulfate,"['approved', 'investigational']",,C05BB04,D06882,9913,PA164746759,,3550,,CHEMBL1200354,,,75273,23665772,[Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O,"InChI=1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1",FVEFRICMTUKAML-UHFFFAOYSA-M
DB00465,74103-06-3,Ketorolac,approved,"['2178916', '1458761', '2292174', '15102238', '10223774', '28429492', '8148223', '7731074']","['M01AB15', 'S01FB51', 'S01BC05']",,35827,PA450150,,1529,,CHEMBL469,85511,KETOROLAC,76223,3826,OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)",OZWKMVRBQXNZKK-UHFFFAOYSA-N
DB00466,124-87-8,Picrotoxin,experimental,7064710,,,,PA164777007,,,,,,,,31304,[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O,"InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1",VJKUPQSHOVKBCO-ZTYBEOBUSA-N
DB00467,74011-58-8,Enoxacin,"['approved', 'investigational']",,J01MA04,D00310,3925,PA449462,,1013,ZINC000019594549,CHEMBL826,50296358,PENETREX,157175,28230148,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1,"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)",IDYZIJYBMGIQMJ-UHFFFAOYSA-N
DB00468,130-95-0,Quinine,approved,8143397,"['M09AA72', 'P01BC01']",,9071,PA451213,QI9,4523,ZINC000003831404,CHEMBL170,50367247,QUININE,15854,3034034,[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1",LOUPRKONTZGTKE-WZBLMQSHSA-N
DB00469,59804-37-4,Tenoxicam,approved,,M01AC02,D01767,37790,PA131890625,,2595,ZINC000100006429,CHEMBL302795,92332,RO 12-0068,32192,54677971,CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=CS2)S1(=O)=O,"InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)",LZNWYQJJBLGYLT-UHFFFAOYSA-N
DB00470,1972-08-3,Dronabinol,"['illicit', 'approved']","['26015168', '16199061', '23408483', '27086601', '30583596']",A04AD10,D00306,10402,PA449421,TCI,4109,ZINC000001530625,CHEMBL465,60994,SP-104,66964,16078,[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=C2C(O)=CC(CCCCC)=C1,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1",CYQFCXCEBYINGO-IAGOWNOFSA-N
DB00471,158966-92-8,Montelukast,approved,"['25920571', '27637121']","['R03DC03', 'R03DC53']",D08229,88249,PA450546,MTK,1836,ZINC000003831151,CHEMBL787,50052024,MONTELUKAST,50730,5281040,OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1,"InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1",UCHDWCPVSPXUMX-TZIWLTJVSA-N
DB00472,54910-89-3,Fluoxetine,"['vet_approved', 'approved']","['3554156', '9323519', '29083803', '19561732', '30301727', '3262026', '1586402', '10997938', '11752104', '21095492', '7623609']","['N06CA03', 'N06AB03']",D00823,4493,PA449673,,1209,,CHEMBL41,30130,FLUOXETINE HYDROCHLORIDE,86990,3386,CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3",RTHCYVBBDHJXIQ-UHFFFAOYSA-N
DB00473,532-77-4,Hexylcaine,"['withdrawn', 'approved']",,,,26879,PA164746489,,1373,,CHEMBL1197,50225698,,34791,10770,CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1,"InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3",DKLKMKYDWHYZTD-UHFFFAOYSA-N
DB00474,151-83-7,Methohexital,approved,,"['N05CA15', 'N05CB01', 'N01AF01']",D04985,6847,PA164784030,,1748,,CHEMBL7413,,METHOHEXITAL SODIUM,102216,9034,CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O,"InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)",NZXKDOXHBHYTKP-UHFFFAOYSA-N
DB00475,58-25-3,Chlordiazepoxide,"['illicit', 'approved', 'investigational']","['6135616', '851373', '458601', '3089825', '6118950']",N05BA02,D00267,2356,PA448932,,594,ZINC000019632917,CHEMBL451,50007664,CHLORDIAZEPOXIDE,3611,,CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=[N+]([O-])C1,"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)",ANTSCNMPPGJYLG-UHFFFAOYSA-N
DB00476,116539-59-4,Duloxetine,approved,"['11282251', '8424846', '15316838', '20921842', '2784100', '12211418', '29424607', '21366359', '17608681', '18393011', '12034378', '11264473', '19480470', '12481192', '17612852']",N06AX21,,72625,PA10066,29E,972,ZINC000001536779,CHEMBL1175,84745,DRIZALMA SPRINKLE,36795,60835,CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1,"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1",ZEUITGRIYCTCEM-KRWDZBQOSA-N
DB00477,50-53-3,Chlorpromazine,"['vet_approved', 'approved', 'investigational']",12747876,N05AA01,D00270,2403,PA448964,Z80,621,ZINC000000044027,CHEMBL71,50001888,THORAZINE,3647,2726,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",ZPEIMTDSQAKGNT-UHFFFAOYSA-N
DB00478,13392-28-4,Rimantadine,"['approved', 'investigational']",,J05AC02,D08483,9386,PA164748038,,2383,,CHEMBL959,50216627,FLUMADINE,94440,5071,CC(N)C12CC3CC(CC(C3)C1)C2,"InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3",UBCHPRBFMUDMNC-UHFFFAOYSA-N
DB00479,37517-28-5,Amikacin,"['vet_approved', 'approved', 'investigational']","['29257114', '10319086']","['S01AA21', 'D06AX12', 'J01RA06', 'J01GB06']",D02543,641,PA164744372,AKN,157,ZINC000008214483,CHEMBL177,50237603,AMIKIN,2637,37768,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",LKCWBDHBTVXHDL-RMDFUYIESA-N
DB00480,191732-72-6,Lenalidomide,approved,"['26438514', '16569772', '16344099', '16510725', '25947406', '19236186', '19674465', '22037879']",L04AX04,D04687,342369,PA162363968,,3317,,CHEMBL848,65454,REVLIMID,63791,216326,NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O,"InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)",GOTYRUGSSMKFNF-UHFFFAOYSA-N
DB00481,84449-90-1,Raloxifene,"['approved', 'investigational']","['12940590', '21286801', '10507743', '17117297', '29224098', '10376571', '10418979', '9571395', '18778124', '10983739', '8703055']",G03XC01,,72143,PA451221,RAL,2351,ZINC000000538275,CHEMBL81,19441,LY-139481,8772,5035,OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2,"InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2",GZUITABIAKMVPG-UHFFFAOYSA-N
DB00482,169590-42-5,Celecoxib,"['approved', 'investigational']","['16777855', '12093311', '30588073', '10749518', '28410791', '17826101', '29491719', '15205346', '17983259', '15713944', '19695387', '11566042', '22336956', '15208519', '26163615', '14736236', '19761371', '16943400', '10979111', '12392591']","['L01XX33', 'M01AH01', 'C08CA51', 'G01AE10']",D00567,140587,PA448871,CEL,568,ZINC000002570895,CHEMBL118,11639,CELECOXIB,41423,2662,CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F,"InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)",RZEKVGVHFLEQIL-UHFFFAOYSA-N
DB00483,65-29-2,Gallamine triethiodide,approved,,,,4639,PA164745088,,,,CHEMBL1200993,,,,6172,[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC,"InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3",REEUVFCVXKWOFE-UHFFFAOYSA-K
DB00484,59803-98-4,Brimonidine,approved,"['15989664', '7487618', '26566370', '9264305', '11249518', '9534022', '12059866', '24506775', '18360646', '19668554', '29374829', '17195055']","['D11AX21', 'S01EA05']",D07540,134615,PA448665,,395,ZINC000021303210,CHEMBL844,34572,BRIMONIDINE TARTRATE,3175,2435,BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C12,"InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)",XYLJNLCSTIOKRM-UHFFFAOYSA-N
DB00485,3116-76-5,Dicloxacillin,"['vet_approved', 'approved', 'investigational']",,"['J01CR50', 'J01CF01']",D02348,3356,PA164749649,,866,ZINC000003978006,CHEMBL893,50350476,PATHOCIL,4511,18381,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",YFAGHNZHGGCZAX-JKIFEVAISA-N
DB00486,51022-71-0,Nabilone,"['approved', 'investigational']","['2838294', '375088', '26015168', '16199061', '6271844', '23408483', '27086601', '3039831']",A04AD11,D05099,31447,PA164746998,,1862,ZINC000001542930,CHEMBL947,50287941,,,5284592,[H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC,"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1",GECBBEABIDMGGL-RTBURBONSA-N
DB00487,70458-92-3,Pefloxacin,approved,,J01MA03,D02306,7960,PA164742856,,2071,ZINC000000001894,CHEMBL267648,57936,,50199,6919009,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)",FHFYDNQZQSQIAI-UHFFFAOYSA-N
DB00488,645-05-6,Altretamine,approved,"['14751188', '11302345', '12586589', '7656502']",L01XX03,,5296,PA164743136,,141,ZINC000000000905,CHEMBL1455,37631,ALTRETAMINE,24564,2123,CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C,InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3,UUVWYPNAQBNQJQ-UHFFFAOYSA-N
DB00489,3930-20-9,Sotalol,approved,"['21125979', '2861072', '30003959', '30561737', '27261833', '8346722', '30008082']","['C07AA07', 'C07FX02', 'C07BA07']",,9947,PA451457,,2464,,CHEMBL471,25762,SOTALEX,63622,5253,CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1,"InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3",ZBMZVLHSJCTVON-UHFFFAOYSA-N
DB00490,36505-84-7,Buspirone,"['approved', 'investigational']","['10320950', '24337875', '2874976', '1973941', '2870639', '1796057', '26535760', '3041384']",N05BE01,D07593,1827,PA448689,,437,ZINC000001530571,CHEMBL49,50001859,MJ-9022-1,3223,2477,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1,"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2",QWCRAEMEVRGPNT-UHFFFAOYSA-N
DB00491,72432-03-2,Miglitol,approved,,A10BF02,D00625,30009,PA164776726,MIG,1806,ZINC000004097426,CHEMBL1561,50242271,GLYSET,6935,441314,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,"InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1",IBAQFPQHRJAVAV-ULAWRXDQSA-N
DB00492,98048-97-6,Fosinopril,approved,"['11329095', '11854791']","['C09AA09', 'C09BA09']",D07992,50166,PA449710,,1245,ZINC000003920355,,,,,45357796,CCC(=O)O[C@@H](OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39+/m1/s1",BIDNLKIUORFRQP-FLODCBCLSA-N
DB00493,63527-52-6,Cefotaxime,approved,,J01DD01,D07647,2186,PA448852,CE3,546,ZINC000004468780,CHEMBL1730,50482777,RU-24756,204928,5742673,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1",GPRBEKHLDVQUJE-QSWIMTSFSA-N
DB00494,130929-57-6,Entacapone,"['approved', 'investigational']","['12876237', '11440283', '10882160', '12538800', '10981253', '11939936']",N04BX02,D00781,60307,PA164748726,PD9,1018,ZINC000035342787,CHEMBL953,50108879,OR-611,4798,5281081,CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N,"InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+",JRURYQJSLYLRLN-BJMVGYQFSA-N
DB00495,30516-87-1,Zidovudine,approved,"['7508227', '12920168', '3072667', '1699273', '7935654', '2413459']","['J05AR04', 'J05AF01', 'J05AR01', 'J05AR05']",D00413,11413,PA451954,AZZ,2861,ZINC000003779042,CHEMBL129,50002692,ZIDOVUDINE,10110,35370,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1",HBOMLICNUCNMMY-XLPZGREQSA-N
DB00496,133099-04-4,Darifenacin,"['approved', 'investigational']",,G04BD10,D01699,136198,PA164774901,,784,ZINC000001996117,CHEMBL1346,50109647,DARIFENACIN,391960,444031,NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1",HXGBXQDTNZMWGS-RUZDIDTESA-N
DB00497,76-42-6,Oxycodone,"['illicit', 'approved', 'investigational']","['26227254', '28526158', '8249052', '20852623']","['N02AJ18', 'N02AA05', 'N02AA56', 'N02AJ19', 'N02AJ17', 'N02AA55']",D05312,7804,PA450741,,2029,ZINC000000403533,CHEMBL656,50370595,PTI-821,7852,5284603,COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",BRUQQQPBMZOVGD-XFKAJCMBSA-N
DB00498,83-12-5,Phenindione,"['approved', 'investigational']",,B01AA02,D08354,8130,PA164784031,UAS,2130,ZINC000100004862,CHEMBL711,50280157,PHENINDIONE,8066,4760,O=C1C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H",NFBAXHOPROOJAW-UHFFFAOYSA-N
DB00499,13311-84-7,Flutamide,"['approved', 'investigational']",,L02BB01,D00586,4508,PA449685,HFT,1223,ZINC000003812944,CHEMBL806,50131270,SCH 13521,5132,3397,CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)",MKXKFYHWDHIYRV-UHFFFAOYSA-N
DB00500,26171-23-3,Tolmetin,approved,,"['M01AB03', 'M02AA21']",,10636,PA451721,TLT,2699,ZINC000000002191,CHEMBL1020,50295287,,71941,5509,CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",UPSPUYADGBWSHF-UHFFFAOYSA-N
DB00501,51481-61-9,Cimetidine,"['approved', 'investigational']","['9733675', '3935464', '7059413', '1988774', '6418428', '31334975']","['A02BA01', 'A02BA51']",D00295,2541,PA449001,,645,ZINC000018115268,CHEMBL30,181119,TAGAMET,3699,2756,CN\C(NCCSCC1=C(C)NC=N1)=N\C#N,"InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)",AQIXAKUUQRKLND-UHFFFAOYSA-N
DB00502,52-86-8,Haloperidol,approved,"['10884398', '25592299', '11873706', '10628896', '14331', '12629531', '3559159', '25007358', '2033640', '24242360']",N05AD01,D00136,5093,PA449841,GMJ,1353,ZINC000000537822,CHEMBL54,21398,HALOPERIDOL,5613,3559,OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",LNEPOXFFQSENCJ-UHFFFAOYSA-N
DB00503,155213-67-5,Ritonavir,"['approved', 'investigational']","['20937904', '28627229', '25585348', '25274602', '21501034']","['J05AP52', 'J05AR10', 'J05AP53', 'J05AR23', 'J05AR26', 'J05AE03']",D00427,85762,PA451260,RIT,2391,ZINC000003944422,CHEMBL163,520,NORVIR,45409,392622,CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1,"InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1",NCDNCNXCDXHOMX-XGKFQTDJSA-N
DB00504,152-02-3,Levallorphan,approved,,,,6370,PA164749284,,1560,ZINC000003875992,CHEMBL1254682,50326673,,6431,5359371,[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2,"InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1",OZYUPQUCAUTOBP-QXAKKESOSA-N
DB00505,60-49-1,Tridihexethyl,withdrawn,,A03AB08,,38617,PA164746229,,2737,,CHEMBL1201354,,,9701,20299,CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1",NPRHVSBSZMAEIN-UHFFFAOYSA-N
DB00507,55981-09-4,Nitazoxanide,"['vet_approved', 'approved', 'investigational']","['17722965', '10984012', '25108173', '16495369', '28748751']",P01AX11,D02486,31819,PA164754874,NTI,1943,ZINC000003956788,CHEMBL1401,50075050,NITAZOXANIDE,94807,41684,CC(=O)OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O,"InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)",YQNQNVDNTFHQSW-UHFFFAOYSA-N
DB00508,146-54-3,Triflupromazine,"['vet_approved', 'approved']",,N05AA05,D00390,10805,PA451773,,2742,ZINC000000538507,CHEMBL570,67544,,9711,5568,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F,"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3",XSCGXQMFQXDFCW-UHFFFAOYSA-N
DB00509,51-49-0,Dextrothyroxine,"['approved', 'investigational']",11901210,C10AX01,,3292,PA164752444,,846,ZINC000003830994,CHEMBL559,50225220,D-THYROXINE,30659,8730,N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1",XUIIKFGFIJCVMT-GFCCVEGCSA-N
DB00511,1111-39-3,Acetyldigitoxin,approved,,C01AA01,D06881,132871,PA164746246,,67,ZINC000096006012,CHEMBL3545057,,,53773,5284512,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1,"InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1",HPMZBILYSWLILX-UMDUKNJSSA-N
DB00512,1404-90-6,Vancomycin,approved,"['12720556', '16323120', '21670191', '16323118', '3530582', '10524959', '8038306', '2393284']","['A07AA09', 'S01AA28', 'J01XA01']",D00212,11124,PA451850,,2807,,CHEMBL262777,50335519,VANCOMYCIN,28001,14969,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(N)[C@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",MYPYJXKWCTUITO-LYRMYLQWSA-N
DB00513,60-32-2,Aminocaproic acid,"['approved', 'investigational']",,B02AA01,D00160,99,PA164774947,ACA,163,ZINC000001529425,CHEMBL1046,50357211,AMINOCAPROIC ACID,57826,517030,NCCCCCC(O)=O,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",SLXKOJJOQWFEFD-UHFFFAOYSA-N
DB00514,125-71-3,Dextromethorphan,approved,"['15505150', '19239735', '30860737', '2660263', '27139517', '30855804', '15342614', '7976530', '19515014', '17573115', '10869398']","['R05DA09', 'N07XX59']",D03742,3289,PA449273,,842,ZINC000003201907,CHEMBL52440,50366613,DEXTROMETHORPHAN HYDROBROMIDE,4470,5360696,[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1",MKXZASYAUGDDCJ-NJAFHUGGSA-N
DB00515,15663-27-1,Cisplatin,approved,,L01XA01,D00275,2555,PA449014,CPT,,,,,,27899,5460033,[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H],InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2,LXZZYRPGZAFOLE-UHFFFAOYSA-L
DB00516,1340-69-8,Bentoquatam,approved,12353598,,,134568,PA164748098,,,,,,,,,,,
DB00517,80-50-2,Anisotropine methylbromide,approved,,,D00232,17945,PA164754880,,223,,,,,2739,21867154,[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C,"InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1",QSFKGMJOKUZAJM-UHFFFAOYSA-M
DB00518,54965-21-8,Albendazole,"['vet_approved', 'approved']","['11343808', '11110097', '17350811', '8228321']",P02CA03,D00134,430,PA164746058,ALW,103,ZINC000017146904,CHEMBL1483,50241293,ALBENZA,16664,2082,CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2,"InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",HXHWSAZORRCQMX-UHFFFAOYSA-N
DB00519,87679-37-6,Trandolapril,approved,"['7527096', '7525196', '16114984', '19337528', '10406358', '8941256', '8480624', '19286752', '7512472', '12852701', '8576937', '18855271']","['C09BB10', 'C09AA10']",D00383,38454,PA451737,,2712,ZINC000001853205,CHEMBL1519,50369775,TRANDOLAPRIL,9649,5484727,[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O,"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1",VXFJYXUZANRPDJ-WTNASJBWSA-N
DB00520,162808-62-0,Caspofungin,approved,"['16990627', '16207161', '16960253', '16162025', '19724014']",J02AX04,D07626,140108,PA164743013,,2977,,,,,474180,16119814,[H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@]([H])(C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN)NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)[C@@H](C)O,"InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1",JYIKNQVWKBUSNH-WVDDFWQHSA-N
DB00521,51781-06-7,Carteolol,approved,"['16401594', '15725891', '12660585']","['S01ED55', 'S01ED05', 'C07AA15']",D07624,2116,PA164768736,,520,,CHEMBL839,50040065,OCUPRESS,3437,2583,CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2,"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)",LWAFSWPYPHEXKX-UHFFFAOYSA-N
DB00522,37106-97-1,Bentiromide,"['withdrawn', 'investigational']",6371722,V04CK03,D01346,18896,PA164750572,,316,ZINC000000608204,CHEMBL1200368,50240073,,31263,6957673,OC(=O)C1=CC=C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1",SPPTWHFVYKCNNK-FQEVSTJZSA-N
DB00523,5300-03-8,Alitretinoin,"['approved', 'investigational']",,"['L01XX22', 'D11AH04']",D02815,81864,PA164746900,9CR,3862,ZINC000012661824,CHEMBL705,31892,LGD-1057,50648,449171,C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+",SHGAZHPCJJPHSC-ZVCIMWCZSA-N
DB00524,17560-51-9,Metolazone,approved,16189620,"['C03BA08', 'C03EA12', 'G01AE10']",D00431,6916,PA164781022,,1783,,CHEMBL878,25899,DIULO,64354,4170,CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O,"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)",AQCHWTWZEMGIFD-UHFFFAOYSA-N
DB00525,2398-96-1,Tolnaftate,"['vet_approved', 'approved', 'investigational']","['3524433', '8852337']",D01AE18,D00381,10637,PA164752438,,3617,ZINC000000057522,CHEMBL83668,39349,TOLNAFTATE,9620,5510,CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1,"InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3",FUSNMLFNXJSCDI-UHFFFAOYSA-N
DB00526,61825-94-3,Oxaliplatin,"['approved', 'investigational']","['16806962', '14756144']",L01XA03,D01790,32592,PA131285527,,,,,,,31941,9887054,[H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1,"InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1",ZROHGHOFXNOHSO-BNTLRKBRSA-L
DB00527,85-79-0,Cinchocaine,"['vet_approved', 'approved']","['16459486', '16612626', '15910814']","['D04AB02', 'C05AD04', 'N01BB06', 'S01HA06', 'S02DA04']",D00733,3339,PA449286,,859,ZINC000001530939,CHEMBL1086,48532,,247956,3025,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC,"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)",PUFQVTATUTYEAL-UHFFFAOYSA-N
DB00528,100427-26-7,Lercanidipine,"['approved', 'investigational']","['16424795', '16679299', '16331117']","['C09DB08', 'C08CA13', 'C09BB02']",,135056,PA164769058,,4157,,CHEMBL250270,,CARDIOVASC,135930,65866,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3",ZDXUKAKRHYTAKV-UHFFFAOYSA-N
DB00529,4428-95-9,Foscarnet,approved,,J05AD01,D00579,33562,PA449706,PPF,1241,ZINC000008101109,CHEMBL666,50011181,FOSCARNET,127780,3415,OC(=O)P(O)(O)=O,"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)",ZJAOAACCNHFJAH-UHFFFAOYSA-N
DB00530,183321-74-6,Erlotinib,"['approved', 'investigational']","['11123895', '15613453', '17178722', '16290256', '11129168']",L01XE03,D07907,337525,PA134687924,AQ4,1045,ZINC000001546066,CHEMBL553,5446,ERLOTINIB HYDROCHLORIDE,114785,176870,COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2,"InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)",AAKJLRGGTJKAMG-UHFFFAOYSA-N
DB00531,50-18-0,Cyclophosphamide,"['approved', 'investigational']","['2491747', '8697402']",L01AA01,D07760,1545988,PA449165,,758,,CHEMBL88,50237604,PROCYTOX,4027,2907,ClCCN(CCCl)P1(=O)NCCCO1,"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)",CMSMOCZEIVJLDB-UHFFFAOYSA-N
DB00532,50-12-4,Mephenytoin,"['withdrawn', 'approved', 'investigational']",,"['N03AB54', 'N03AB04']",D00375,6757,PA450373,,1695,,CHEMBL861,50103593,MEPHENYTOIN,6757,4060,CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1,"InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)",GMHKMTDVRCWUDX-UHFFFAOYSA-N
DB00533,162011-90-7,Rofecoxib,"['withdrawn', 'approved', 'investigational']","['15641522', '11398914', '18922570', '15713943', '11087881', '16495386', '15470192', '11249495']",M01AH02,D00568,232158,PA451268,RCX,2397,ZINC000000007455,CHEMBL122,22369,MK0966,8887,5090,CS(=O)(=O)C1=CC=C(C=C1)C1=C(C(=O)OC1)C1=CC=CC=C1,"InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3",RZJQGNCSTQAWON-UHFFFAOYSA-N
DB00534,62-37-3,Chlormerodrin,"['withdrawn', 'approved']",,,,,PA164748977,,,,,,,59445,6110,COC(CNC(N)=O)C[Hg]Cl,"InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1",BJFGVYCULWBXKF-UHFFFAOYSA-M
DB00535,91832-40-5,Cefdinir,approved,"['8133056', '9557062', '28630190', '11144395', '28760902', '15182160', '16801430', '15620832', '111613', '17540669', '11300142', '18752027', '15212560']",J01DD15,D00917,25037,PA164768739,,533,ZINC000003927198,CHEMBL927,50248190,CI-983,3485,6915944,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",RTXOFQZKPXMALH-GHXIOONMSA-N
DB00536,113-00-8,Guanidine,approved,,,,50675,PA164781028,GAI,1344,ZINC000008101126,CHEMBL821,50420178,GUANIDINE,42820,3520,NC(N)=N,"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)",ZRALSGWEFCBTJO-UHFFFAOYSA-N
DB00537,85721-33-1,Ciprofloxacin,"['approved', 'investigational']","['24913236', '9531191', '2836821', '2001151', '6489326', '29407984', '3777908', '7736911', '1491053', '2982149', '16628145', '30030566', '27621175', '29671145']","['J01RA10', 'J01RA12', 'J01MA02', 'S02AA15', 'S01AE03', 'J01RA11', 'S03AA07']",D00186,2551,PA449009,CPF,659,ZINC000000020220,CHEMBL8,21690,CETRAXAL,100241,4011971,OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK-UHFFFAOYSA-N
DB00538,131069-91-5,Gadoversetamide,"['approved', 'investigational']",,V08CA06,D01646,228833,PA164743703,,,,,,,31644,6435809,[Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O,"InChI=1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3",HBEAOBRDTOXWRZ-UHFFFAOYSA-K
DB00539,89778-26-7,Toremifene,"['approved', 'investigational']","['17504144', '17644117', '15882476', '16515478', '16503765']",L02BA02,,38409,PA451731,T0R,2709,ZINC000012404516,CHEMBL1655,58492,FARESTON,9635,3005573,CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,"InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-",XFCLJVABOIYOMF-QPLCGJKRSA-N
DB00540,72-69-5,Nortriptyline,approved,"['9778204', '7366812', '9178335', '2050651', '30983469', '17471183', '12631677', '1133723', '10401446', '6121969', '11791642', '6994983', '7855217']",N06AA10,D08288,7531,PA450657,21B,1971,ZINC000001530741,CHEMBL445,112777,AVENTYL,7640,4543,CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3",PHVGLTMQBUFIQQ-UHFFFAOYSA-N
DB00541,57-22-7,Vincristine,"['approved', 'investigational']","['17355029', '8608515', '14070392', '10226730']",L01CA02,D08679,11202,PA451879,R1Q,2825,ZINC000085537024,CHEMBL499458,38872,,,5388993,[H][C@@]12N3CC[C@@]11C4=C(C=C(OC)C(=C4)[C@]4(C[C@H]5C[N@](C[C@](O)(CC)C5)CCC5=C4NC4=CC=CC=C54)C(=O)OC)N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC,"InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1",OGWKCGZFUXNPDA-CFWMRBGOSA-N
DB00542,86541-75-5,Benazepril,"['approved', 'investigational']","['1893642', '1893640', '16407508', '17498126', '28371693', '1720384', '9328608']","['C09AA07', 'C09BA07']",D07499,18867,PA448561,,299,ZINC000003781943,CHEMBL838,50021153,LOTENSIN,3011,5362124,[H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC,"InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1",XPCFTKFZXHTYIP-PMACEKPBSA-N
DB00543,14028-44-5,Amoxapine,approved,,N06AA17,D00228,722,PA448405,,191,ZINC000000000931,CHEMBL1113,22870,ASENDIN,2675,2170,ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1,"InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2",QWGDMFLQWFTERH-UHFFFAOYSA-N
DB00544,51-21-8,Fluorouracil,approved,"['15032669', '12724731']","['L01BC52', 'L01BC02']",D00584,4492,PA128406956,URF,26,ZINC000038212689,CHEMBL185,50340677,FLUOROPLEX,46345,3385,FC1=CNC(=O)NC1=O,"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",GHASVSINZRGABV-UHFFFAOYSA-N
DB00545,155-97-5,Pyridostigmine,"['approved', 'investigational']","['7439266', '3524957', '5463535', '4554662', '26376969', '29381222', '32918950', '29874875', '12933939']",N07AA02,D00487,9000,PA451185,,2330,ZINC000000002009,CHEMBL1115,50313079,PYRIDOSTIGMINE,8665,4991,CN(C)C(=O)OC1=C[N+](C)=CC=C1,"InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1",RVOLLAQWKVFTGE-UHFFFAOYSA-N
DB00546,37115-32-5,Adinazolam,experimental,"['6148400', '6320036', '2867497']",N05BA07,D02770,,PA164783813,,93,ZINC000004214740,CHEMBL328250,82439,,251412,37632,CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3",GJSLOMWRLALDCT-UHFFFAOYSA-N
DB00547,382-67-2,Desoximetasone,approved,,"['D07AC03', 'D07XC02']",,3255,PA164746011,,819,ZINC000004212854,CHEMBL1766,50103622,DESOXIMETASONE,691037,5311067,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1",VWVSBHGCDBMOOT-IIEHVVJPSA-N
DB00548,123-99-9,Azelaic acid,approved,,D10AX03,D03034,18602,PA164754850,AZ1,270,ZINC000001531036,CHEMBL1238,,AZELEX,48131,2266,OC(=O)CCCCCCCC(O)=O,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",BDJRBEYXGGNYIS-UHFFFAOYSA-N
DB00549,107753-78-6,Zafirlukast,"['approved', 'investigational']",,R03DC01,D00411,114970,PA451949,ZLK,2855,ZINC000000896717,CHEMBL603,50009073,ACCOLATE,10100,5717,COC1=CC(=CC=C1CC1=CN(C)C2=C1C=C(NC(=O)OC1CCCC1)C=C2)C(=O)NS(=O)(=O)C1=CC=CC=C1C,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)",YEEZWCHGZNKEEK-UHFFFAOYSA-N
DB00550,51-52-5,Propylthiouracil,"['approved', 'investigational']",,H03BA02,D00562,8794,PA451156,3CJ,2308,ZINC000004640636,CHEMBL1518,50133597,PROPYLTHIOURACIL,8502,657298,CCCC1=CC(=O)NC(=S)N1,"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)",KNAHARQHSZJURB-UHFFFAOYSA-N
DB00551,546-88-3,Acetohydroxamic acid,approved,,G04BX03,D00220,16728,PA164749213,HAE,58,ZINC000004658603,CHEMBL734,50099857,LITHOSTAT,27777,1990,CC(=O)NO,"InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)",RRUDCFGSUDOHDG-UHFFFAOYSA-N
DB00552,53910-25-1,Pentostatin,"['approved', 'investigational']",,L01XX08,D00155,8011,PA450863,DCF,2098,ZINC000003806262,CHEMBL1580,223291,PD-81565,,439693,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O,"InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1",FPVKHBSQESCIEP-JQCXWYLXSA-N
DB00553,298-81-7,Methoxsalen,approved,,"['D05BA02', 'D05AD02']",D00139,6854,PA450433,8MO,30,ZINC000002548959,CHEMBL416,50041234,UVADEX,18358,4114,COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",QXKHYNVANLEOEG-UHFFFAOYSA-N
DB00554,36322-90-4,Piroxicam,"['approved', 'investigational']",,"['S01BC06', 'M02AA07', 'M01AC01']",D00127,8356,PA450985,,2210,ZINC000051133897,CHEMBL527,85245,"CP-16,171",8249,54676228,CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",QYSPLQLAKJAUJT-UHFFFAOYSA-N
DB00555,84057-84-1,Lamotrigine,"['approved', 'investigational']","['27096250', '26557090', '15115640', '12716240', '30101556', '9429124', '19579915', '8119045', '7691504', '29176325', '11888243', '14667954']",N03AX09,D00354,28439,PA450164,,1540,ZINC000000013156,CHEMBL741,50031299,BW 430C,6367,3878,NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1,"InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)",PYZRQGJRPPTADH-UHFFFAOYSA-N
DB00556,76-19-7,Perflutren,approved,23432576,,D01738,283753,PA164781354,,2104,ZINC000008214651,CHEMBL1663,,DMP-115,31980,6432,FC(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11",QYSGYZVSCZSLHT-UHFFFAOYSA-N
DB00557,68-88-2,Hydroxyzine,approved,"['512901', '18336052', '23330992', '21892192', '2866055', '6141198', '22188412', '28480041', '7103423', '2562944', '2887328', '17605150', '27999468']","['N05BB01', 'N05BB51']",D08054,5553,PA449943,,1400,,CHEMBL896,22875,ORGATRAX,5818,3658,OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2",ZQDWXGKKHFNSQK-UHFFFAOYSA-N
DB00558,139110-80-8,Zanamivir,"['approved', 'investigational']","['4362431', '18582202', '18694948', '8502295']",J05AH01,D00902,69722,PA164740891,ZMR,2859,ZINC000003918138,CHEMBL222813,50330326,ZANAMIVIR,50663,60855,[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1",ARAIBEBZBOPLMB-UFGQHTETSA-N
DB00559,147536-97-8,Bosentan,"['approved', 'investigational']",,"['C02KX01', 'G01AE10']",D01227,75207,PA10034,K86,392,ZINC000001538857,CHEMBL957,50061101,TRACLEER,51450,104865,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1,"InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)",GJPICJJJRGTNOD-UHFFFAOYSA-N
DB00560,220620-09-7,Tigecycline,approved,"['16790575', '16863487']","['J01AA20', 'J01AA12']",D01079,384455,PA164746412,,2661,ZINC000014879972,CHEMBL376140,50247905,TYGACIL,149836,,[H][C@@]12CC3=C(C(O)=C(NC(=O)CNC(C)(C)C)C=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,"InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1",FPZLLRFZJZRHSY-HJYUBDRYSA-N
DB00561,309-29-5,Doxapram,"['vet_approved', 'approved']","['17227289', '8251281']",R07AB01,D07873,3637,PA164784026,,953,,CHEMBL1754,50505297,DOXAPRAM HYDROCHLORIDE,681848,3156,CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3",XFDJYSQDBULQSI-UHFFFAOYSA-N
DB00562,91-33-8,Benzthiazide,approved,,G01AE10,D00651,19008,PA164776841,,332,ZINC000003871698,CHEMBL1201039,50238676,,3047,2343,NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O,"InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)",NDTSRXAMMQDVSW-UHFFFAOYSA-N
DB00563,59-05-2,Methotrexate,approved,"['17242415', '27210722', '24284432']","['L01BA01', 'L04AX03']",D00142,6851,PA450428,MTX,1751,ZINC000001529323,CHEMBL34259,18050,FOLEX,44185,126941,CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",FBOZXECLQNJBKD-ZDUSSCGKSA-N
DB00564,298-46-4,Carbamazepine,"['approved', 'investigational']","['15292462', '9187275', '22620289', '11926264', '18088268', '22278332', '8698724', '23961295', '1233212', '9539261', '21738081', '20456734', '22851801', '31164100']",N03AF01,D00252,2002,PA448785,N6W,489,ZINC000000004785,CHEMBL108,50003659,FINLEPSIN,3387,2554,NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",FFGPTBGBLSHEPO-UHFFFAOYSA-N
DB00565,96946-41-7,Cisatracurium,approved,30969664,M03AC11,,319864,PA164744925,,,ZINC000238809664,CHEMBL1201248,,CISATRACURIUM,140621,62887,COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2,"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1",YXSLJKQTIDHPOT-LJCJQEJUSA-N
DB00566,304-55-2,Succimer,approved,"['7741240', '9630737', '1663439']",,D00572,3446,PA451521,,2486,ZINC000003831475,CHEMBL1201073,,DIM-SA,63623,2724354,OC(=O)[C@@H](S)[C@@H](S)C(O)=O,"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+",ACTRVOBWPAIOHC-XIXRPRMCSA-N
DB00567,15686-71-2,Cephalexin,"['vet_approved', 'approved', 'investigational']","['15700950', '5811391', '17292577', '6364086', '3542485', '848940', '4398634', '5348475', '4388601']",J01DB01,D00263,1299782,PA448883,,571,ZINC000003830500,CHEMBL1727,50139896,BIOCEF,3534,6560168,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
DB00568,298-57-7,Cinnarizine,"['approved', 'investigational']",,"['N07CA52', 'N07CA02']",D01295,2549,PA164749342,,654,ZINC000019632891,CHEMBL43064,50017657,CINNARIZINE,31403,1547484,C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+",DERZBLKQOCDDDZ-JLHYYAGUSA-N
DB00569,104993-28-4,Fondaparinux,"['approved', 'investigational']","['14585937', '20008202', '19395952', '12049860', '18217156', '20351686', '18035917', '18574271', '18574276', '20351685', '16537725', '15172900', '18574270', '11794149', '18574277', '15886823', '19432027', '18574272', '17692738', '19737996', '18574264', '16537663', '12049858', '20805623', '16175516', '11794148', '19825921']",B01AX05,,,PA164746297,,1236,,CHEMBL1201202,50511579,ARIXTRA,61033,5282448,CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS(O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O,"InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1",KANJSNBRCNMZMV-ABRZTLGGSA-N
DB00570,865-21-4,Vinblastine,approved,942954,L01CA01,,11198,PA451877,VLB,2823,ZINC000085432544,CHEMBL159,50012278,VELBAN,,13342,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC,"InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1",JXLYSJRDGCGARV-CFWMRBGOSA-N
DB00571,525-66-6,Propranolol,"['approved', 'investigational']","['4066876', '29846253', '656285', '1149212', '2859169', '378502']","['C07FX01', 'C07BA05', 'C07AA05']",D08443,8787,PA451145,,2303,,CHEMBL27,25761,PROPRANOLOL HYDROCHLORIDE,8499,4946,CC(C)NCC(O)COC1=CC=CC2=C1C=CC=C2,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3",AQHHHDLHHXJYJD-UHFFFAOYSA-N
DB00572,51-55-8,Atropine,"['vet_approved', 'approved']",,"['A03CB03', 'A03BA01', 'S01FA01']",D00113,1223,PA448505,OIN,260,,CHEMBL517712,50403547,ATROPINE SULFATE MONOHYDRATE,16684,,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?",RKUNBYITZUJHSG-SPUOUPEWSA-N
DB00573,29679-58-1,Fenoprofen,approved,,M01AE04,D00968,4331,PA449597,,1154,,CHEMBL1297,54705,NALFON,5004,3342,CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)",RDJGLLICXDHJDY-UHFFFAOYSA-N
DB00574,458-24-2,Fenfluramine,"['withdrawn', 'illicit', 'approved', 'investigational']","['27817982', '24287719', '28428755', '29805740', '32185791', '9271479', '26822114', '2463643', '31116409', '11104741', '28073790', '32169824', '32165031', '20842720', '10498829']",A08AA02,D07945,4328,PA449592,,1150,,CHEMBL87493,84738,FENFLURAMINE,5000,3337,CCNC(C)CC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3",DBGIVFWFUFKIQN-UHFFFAOYSA-N
DB00575,4205-90-7,Clonidine,approved,"['25272878', '7398184', '20570945', '1599347', '10215710', '25431436', '28726169']","['S01EA04', 'C02AC01', 'C02LC51', 'N02CX02', 'C02LC01']",D00281,2599,PA449051,CLU,704,ZINC000000896484,CHEMBL134,50225285,CLONIDINE HYDROCHLORIDE,3757,2803,ClC1=CC=CC(Cl)=C1NC1=NCCN1,"InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)",GJSURZIOUXUGAL-UHFFFAOYSA-N
DB00576,144-82-1,Sulfamethizole,"['vet_approved', 'approved', 'investigational']","['2372557', '14519675', '12604534']","['D06BA04', 'G01AE10', 'B05CA04', 'S01AB01', 'J01EB02']",D00870,10179,PA164781307,,2512,ZINC000000057493,CHEMBL1191,50295558,THIOSULFIL,9331,5328,CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1,"InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)",VACCAVUAMIDAGB-UHFFFAOYSA-N
DB00577,124832-26-4,Valaciclovir,"['approved', 'investigational']","['18561175', '9118821', '8669888', '19187258', '27281742', '27281837']",J05AB11,D00398,73645,PA451839,TXC,,ZINC000001530713,CHEMBL1349,50162073,VALACICLOVIR,35854,135398742,CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1NC(N)=NC2=O,"InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1",HDOVUKNUBWVHOX-QMMMGPOBSA-N
DB00578,4697-36-3,Carbenicillin,"['approved', 'investigational']",,"['J01CA03', 'J01CR50']",D07614,2015,PA448788,,492,,CHEMBL1214,,CARBENICILLIN SODIUM,3393,20824,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1",FPPNZSSZRUTDAP-UWFZAAFLSA-N
DB00579,22232-71-9,Mazindol,"['approved', 'investigational']",,A08AA05,D00367,6664,PA450326,,1640,,CHEMBL781,50005536,AN-448,6702,4020,OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1,"InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2",ZPXSCAKFGYXMGA-UHFFFAOYSA-N
DB00580,181695-72-7,Valdecoxib,"['withdrawn', 'approved', 'investigational']",,M01AH03,,278567,PA10226,COX,2799,ZINC000000006694,CHEMBL865,13063,BEXTRA,63634,119607,CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)",LNPDTQAFDNKSHK-UHFFFAOYSA-N
DB00581,4618-18-2,Lactulose,approved,12420112,"['A06AD11', 'A06AD61']",D00352,6218,PA164748762,,1536,ZINC000003977952,CHEMBL296306,50377984,CHOLAC,6359,11333,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1",JCQLYHFGKNRPGE-FCVZTGTOSA-N
DB00582,137234-62-9,Voriconazole,approved,"['11807146', '28702763', '10981251', '9371355', '12167683', '16231256', '12756205', '16243088', '11577374', '17433262', '30687893']",J02AC03,D00578,121243,PA10233,VOR,2846,ZINC000000014864,CHEMBL638,50333117,UK-109496,10023,71616,C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,"InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1",BCEHBSKCWLPMDN-MGPLVRAMSA-N
DB00583,541-15-1,Levocarnitine,"['approved', 'investigational']","['15991803', '15363636']",A16AA01,D02176,2106,PA450154,,513,,CHEMBL1149,50037268,LEVOCARNITINE,16347,10917,C[N+](C)(C)C[C@H](O)CC([O-])=O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1",PHIQHXFUZVPYII-ZCFIWIBFSA-N
DB00584,75847-73-3,Enalapril,"['vet_approved', 'approved']","['3011386', '6289858', '8261712', '2994984', '1374319', '6099737', '6097665', '2982541']","['C09AA02', 'C09BA02', 'C09BB06', 'C09BB02']",D07892,3827,PA449456,,1005,ZINC000003791297,CHEMBL578,50017129,NAPRILENE,4784,40466924,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",GBXSMTUPTTWBMN-XIRDDKMYSA-N
DB00585,76963-41-2,Nizatidine,approved,,A02BA04,D00440,42319,PA164752234,,1955,,CHEMBL3183075,,AXID AR,7601,4513,CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O,"InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3",SGXXNSQHWDMGGP-UHFFFAOYSA-N
DB00586,15307-86-5,Diclofenac,"['vet_approved', 'approved']","['15764717', '11992745', '16645966', '15843492', '22981510', '16968830', '25504502', '24246759', '11496855', '10449188', '3286213', '23063076', '20470236', '9314611', '16740558']","['S01BC03', 'M01AB55', 'M02AA15', 'D11AX18', 'S01CC01', 'M01AB05']",D07816,3355,PA449293,DIF,865,ZINC000000001281,CHEMBL139,13066,DICLOFENAC,47381,3033,OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",DCOPUUMXTXDBNB-UHFFFAOYSA-N
DB00587,128312-51-6,Cinalukast,experimental,,,D02846,,PA164743057,,648,ZINC000003803377,CHEMBL283754,50064086,,126598,6436135,CCC(CC)(CC(=O)NC1=CC(\C=C\C2=NC(=CS2)C2CCC2)=CC=C1)C(O)=O,"InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+",BZMKNPGKXJAIDV-VAWYXSNFSA-N
DB00588,80474-14-2,Fluticasone propionate,approved,"['2287791', '23184737', '23578031', '2287792', '18047814', '11589253']",,D01708,50121,PA449686,,1225,ZINC000003920027,CHEMBL1473,50354849,FLUTICASONE PROPIONATE,31441,444036,[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1",WMWTYOKRWGGJOA-CENSZEJFSA-N
DB00589,18016-80-3,Lisuride,"['approved', 'investigational']",,"['G02CB02', 'N02CA07']",D08132,6446,PA164749019,H8G,1588,ZINC000003831001,CHEMBL157138,50056445,LISURIDE,51164,28864,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC,"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1",BKRGVLQUQGGVSM-KBXCAEBGSA-N
DB00590,74191-85-8,Doxazosin,approved,"['9223558', '18054910', '2939865', '15549140', '16004202', '16985889', '2899495', '2870173', '12461301', '15330733', '17523910', '2951051', '24092799', '18304211', '21850047', '2884857', '27405770', '15098086']",C02CA04,D07874,49276,PA449407,,954,,CHEMBL707,86731,CARDURA XL,4708,3157,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1,"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)",RUZYUOTYCVRMRZ-UHFFFAOYSA-N
DB00591,67-73-2,Fluocinolone acetonide,"['vet_approved', 'approved', 'investigational']","['1874579', '11006254', '25994877', '19744340', '17923537', '1582642', '17722513']","['S01BA15', 'S02BA08', 'C05AA10', 'D07BC02', 'S02CA05', 'S01CA10', 'D07CC02', 'D07AC04']",D01825,4461,PA164754912,,1204,ZINC000003977981,CHEMBL989,,FS SHAMPOO,31623,6215,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",FEBLZLNTKCEFIT-VSXGLTOVSA-N
DB00592,110-85-0,Piperazine,"['vet_approved', 'approved']",,P02CB01,D00807,8340,PA450977,PZE,2188,ZINC000005850277,CHEMBL1412,,PIPERAZINE,28568,4837,C1CNCCN1,"InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2",GLUUGHFHXGJENI-UHFFFAOYSA-N
DB00593,77-67-8,Ethosuximide,approved,"['2169941', '16302888', '2710401', '1336826', '2545161']","['N03AD01', 'N03AD51']",D00539,4135,PA449533,,1087,,CHEMBL696,50240424,ETHOSUXIMIDE,4887,3291,CCC1(C)CC(=O)NC1=O,"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)",HAPOVYFOVVWLRS-UHFFFAOYSA-N
DB00594,2609-46-3,Amiloride,approved,,C03DB01,D07447,644,PA448368,AMR,158,ZINC000004340269,CHEMBL945,16173,MIDAMOR,2639,16231,NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N,"InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)",XSDQTOBWRPYKKA-UHFFFAOYSA-N
DB00595,79-57-2,Oxytetracycline,"['vet_approved', 'approved', 'investigational']",16816396,"['J01AA20', 'D06AA03', 'J01AA06', 'G01AA07', 'S01AA04', 'J01AA56']",,7821,PA450757,OTC,2041,ZINC000095626782,CHEMBL1517,,OXYTETRACYCLINE CALCIUM,27701,,[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1",IWVCMVBTMGNXQD-PXOLEDIWSA-N
DB00596,98651-66-2,Ulobetasol,approved,"['23300763', '30285357', '24347992', '15634032', '31334954', '2349135']",D07AC21,,41208,PA164768832,,,ZINC000004214603,CHEMBL1201360,,,,5311167,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1",LEHFPXVYPMWYQD-XHIJKXOTSA-N
DB00597,120066-54-8,Gadoteridol,"['approved', 'investigational']",,V08CA04,D01137,25483,PA164746463,,,,,,,31643,24838311,[Gd+3].CC(O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1,"InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3",DPNNNPAKRZOSMO-UHFFFAOYSA-K
DB00598,36894-69-6,Labetalol,approved,"['6310529', '3154919', '8097698', '6370541', '6354658']","['C07CG01', 'C07BG01', 'C07AG01']",D08106,6185,PA164743150,,1531,,CHEMBL429,25758,LABETALOL HYDROCHLORIDE,167638,3869,CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1,"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)",SGUAFYQXFOLMHL-UHFFFAOYSA-N
DB00599,76-75-5,Thiopental,"['vet_approved', 'approved']","['9739479', '3093002', '7235275', '13243246', '29763050', '19213']","['N05CA19', 'N05CB01', 'N01AF03']",,10493,PA451664,,2633,,CHEMBL441,50058058,TRAPANAL,102166,3000715,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,"InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",IUJDSEJGGMCXSG-UHFFFAOYSA-N
DB00600,103-16-2,Monobenzone,approved,,D11AX13,D05072,17145,PA164764582,,1834,ZINC000000001748,CHEMBL1388,50410520,,34380,7638,OC1=CC=C(OCC2=CC=CC=C2)C=C1,"InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2",VYQNWZOUAUKGHI-UHFFFAOYSA-N
DB00601,165800-03-3,Linezolid,"['approved', 'investigational']","['30969615', '29063519', '21521707', '21434942', '11454733', '16857689', '14531724', '12690106']",J01XX08,D00947,190376,PA450233,ZLD,1584,ZINC000002008866,CHEMBL126,50116067,LINEZOLID,63607,441401,CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1CCOCC1,"InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1",TYZROVQLWOKYKF-ZDUSSCGKSA-N
DB00602,70288-86-7,Ivermectin,"['vet_approved', 'approved', 'investigational']","['32824399', '34281149', '34220503', '34430453']","['P02CF01', 'D11AX22']",D00804,6069,PA450133,,,,CHEMBL1200633,,CD-5024,,9812710,[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O.[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)[C@@H](C)CC)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O,"InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1",SPBDXSGPUHCETR-JFUDTMANSA-N
DB00603,71-58-9,Medroxyprogesterone acetate,"['approved', 'investigational']","['2943134', '22078184', '21562760', '6457935', '18725509', '11600316', '3156203', '23993431', '429526']","['L02AB02', 'G03AA17', 'G03FA12', 'G03DA02', 'G03AC06', 'G03AA08', 'G03FB06']",D00951,1000112,PA450344,,1659,ZINC000005029557,CHEMBL717,50067678,MEDROXYPROGESTERONE ACETATE,6716,6279,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C,"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1",PSGAAPLEWMOORI-PEINSRQWSA-N
DB00604,81098-60-4,Cisapride,"['withdrawn', 'approved', 'investigational']",11717173,A03FA02,D00274,35255,PA449011,,660,ZINC000003775140,CHEMBL560739,50462032,,3720,6917698,CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1",DCSUBABJRXZOMT-IRLDBZIGSA-N
DB00605,38194-50-2,Sulindac,"['approved', 'investigational']",,M01AB02,D00120,10237,PA451565,,2534,,CHEMBL15770,50103504,CLINORIL,9352,1548887,CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O,"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",MLKXDPUZXIRXEP-MFOYZWKCSA-N
DB00606,2259-96-3,Cyclothiazide,approved,,"['C03AB09', 'C03AA09', 'G01AE10']",D01256,22033,PA449168,CYZ,761,,CHEMBL61593,50192229,,31448,2910,NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2,"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)",BOCUKUHCLICSIY-UHFFFAOYSA-N
DB00607,147-52-4,Nafcillin,"['approved', 'investigational']","['25991471', '26976858', '24785233']","['J01CF06', 'J01CR50']",D08242,7233,PA450576,NFN,1869,ZINC000003875980,CHEMBL1443,50103525,NAFCIL,7447,8982,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OCC)C=CC2=CC=CC=C12)C(O)=O,"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1",GPXLMGHLHQJAGZ-JTDSTZFVSA-N
DB00608,54-05-7,Chloroquine,"['vet_approved', 'approved', 'investigational']","['32074550', '1474861', '16115318', '29150641', '12756207', '8896943', '24556123', '30873854', '31643549', '12967198', '32070753', '3768249', '6849768', '32020029', '29737455', '29033372', '1729651', '25593097']",P01BA01,D02366,2393,PA448948,CLQ,607,,CHEMBL76,22985,ARALEN,3638,2719,CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12,"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)",WHTVZRBIWZFKQO-UHFFFAOYSA-N
DB00609,536-33-4,Ethionamide,approved,,J04AD03,D00591,4127,PA164768738,,1083,ZINC000003872520,CHEMBL1441,50239976,TRECATOR,4885,2761171,CCC1=NC=CC(=C1)C(N)=S,"InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)",AEOCXXJPGCBFJA-UHFFFAOYSA-N
DB00610,54-49-9,Metaraminol,"['approved', 'investigational']","['2258979', '15703094', '3140463']",C01CA09,,6805,PA164748761,,1721,ZINC000000001695,CHEMBL1201319,50239972,METARAMINOL,6794,5906,C[C@H](N)[C@H](O)C1=CC(O)=CC=C1,"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1",WXFIGDLSSYIKKV-RCOVLWMOSA-N
DB00611,42408-82-2,Butorphanol,"['vet_approved', 'illicit', 'approved']","['10534607', '12127012']",N02AF01,D00837,1841,PA164745398,,454,ZINC000012503137,,,,,6916249,[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1,"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1",IFKLAQQSCNILHL-QHAWAJNXSA-N
DB00612,66722-44-9,Bisoprolol,approved,"['2439789', '2887325', '25359873', '12795776', '26996442', '6144498', '18268926', '2903820', '18472978', '2876722', '2439803', '28357786', '18612186']","['C09BX02', 'C07FB07', 'C07AB07', 'C07FX04', 'C07BB07', 'C09BX04']",D02342,19484,PA448641,,380,,CHEMBL645,25751,BISOPROLOL,3127,2405,CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1,"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3",VHYCDWMUTMEGQY-UHFFFAOYSA-N
DB00613,86-42-0,Amodiaquine,"['approved', 'investigational']","['7618347', '1567466']","['P01BF03', 'P01BA06']",D02922,720,PA448404,CQA,186,ZINC000000608172,CHEMBL682,50041457,AMODIAQUINE,2674,3647519,CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1,"InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)",OVCDSSHSILBFBN-UHFFFAOYSA-N
DB00614,67-45-8,Furazolidone,"['experimental', 'vet_approved']",,G01AX06,D00830,4601,PA164746760,,1257,ZINC000000113418,CHEMBL1103,,FUROXONE,,5323714,[O-][N+](=O)C1=CC=C(O1)\C=N\N1CCOC1=O,"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+",PLHJDBGFXBMTGZ-WEVVVXLNSA-N
DB00615,72559-06-9,Rifabutin,"['approved', 'investigational']",,J04AB04,D00424,55672,PA451249,RBT,2376,ZINC000169621215,CHEMBL444633,50237607,MYCOBUTIN,45367,,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21,"InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1",ATEBXHFBFRCZMA-VXTBVIBXSA-N
DB00616,123122-55-4,Candoxatril,experimental,,,D01070,,PA164764517,,,,CHEMBL35084,,,3353,,COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1,"InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1",ZTWZVMIYIIVABD-OEMFJLHTSA-N
DB00617,115-67-3,Paramethadione,approved,"['1185541', '412416']",N03AC01,D00495,32894,PA164748880,,2059,,CHEMBL1100,,,7921,8280,CCC1(C)OC(=O)N(C)C1=O,"InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3",VQASKUSHBVDKGU-UHFFFAOYSA-N
DB00618,127-33-3,Demeclocycline,approved,170519,"['J01AA20', 'J01AA01', 'D06AA01']",D00290,3154,PA164745513,,802,ZINC000100036924,CHEMBL1591,,DEMECLOCYCLINE,4392,,[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O,"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1",FMTDIUIBLCQGJB-SEYHBJAFSA-N
DB00619,152459-95-5,Imatinib,approved,"['12869662', '11175855', '15980865', '14988091', '16779792']",L01XE01,D01441,282388,PA10804,STI,1423,ZINC000019632618,CHEMBL941,13530,STI-571,45783,5291,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1,"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)",KTUFNOKKBVMGRW-UHFFFAOYSA-N
DB00620,124-94-7,Triamcinolone,"['vet_approved', 'approved']","['31335029', '10883419', '10392324', '10667036', '7608322', '1973290', '13700365', '13700367']","['A01AC01', 'R03BA06', 'D07BB03', 'S01BA05', 'S02CA04', 'H02AB08', 'C05AA12', 'D07CB01', 'R01AD11', 'D07AB09', 'D07XB02']",D00385,10759,PA451749,,2725,ZINC000003882036,CHEMBL1451,41132,KENACORT,9667,31307,[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1",GFNANZIMVAIWHM-OBYCQNJPSA-N
DB00621,53-39-4,Oxandrolone,"['approved', 'investigational']",14636753,A14AA08,D00462,7779,PA164749395,,2011,ZINC000003813047,CHEMBL1200436,,ANAVAR,7820,5878,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C,"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1",QSLJIVKCVHQPLV-PEMPUTJUSA-N
DB00622,55985-32-5,Nicardipine,"['approved', 'investigational']",,C08CA04,,7396,PA450620,,1909,,CHEMBL1484,50101815,NICARDIPINE,180905,4474,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1,"InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3",ZBBHBTPTTSWHBA-UHFFFAOYSA-N
DB00623,69-23-8,Fluphenazine,approved,,N05AB02,D07977,4496,PA449676,,1212,ZINC000019203912,CHEMBL726,78433,FLUPHENAZINE,5123,3372,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2",PLDUPXSUYLZYBN-UHFFFAOYSA-N
DB00624,58-22-0,Testosterone,"['approved', 'investigational']","['24024843', '9432753', '9753206', '16386416', '30959485', '263350', '128323', '15181080', '24837363', '15764715', '19304432', '19022937', '9732386']","['G03BA03', 'G03EA02']",D00075,10379,PA451627,TES,2607,ZINC000118912393,CHEMBL386630,8885,TESTOSTERONE,17347,6013,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",MUMGGOZAMZWBJJ-DYKIIFRCSA-N
DB00625,154598-52-4,Efavirenz,"['approved', 'investigational']","['12386343', '15983905', '22318618']","['J05AR06', 'J05AR11', 'J05AG03']",D00896,195085,PA449441,EFZ,989,ZINC000002020233,CHEMBL223228,2483,SUSTIVA,119486,64139,FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1,"InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1",XPOQHMRABVBWPR-ZDUSSCGKSA-N
DB00626,1405-87-4,Bacitracin,"['vet_approved', 'approved']","['20477872', '30000490', '6752975', '16695495', '20359222', '30725678', '21698655']","['R02AB04', 'D06AX05', 'J01XX10']",D00128,1291,PA448531,,,,CHEMBL1200558,50458054,ZIBA-RX,184381,10909430,CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC,"InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1",CLKOFPXJLQSYAH-ABRJDSQDSA-N
DB00627,59-67-6,Niacin,"['approved', 'nutraceutical', 'investigational']","['20562093', '17725178', '16496499', '25386386', '18375237']","['C04AC01', 'C10AD52', 'C10AD02', 'C10BA01']",D00049,7393,PA450617,NIO,2835,ZINC000000001795,CHEMBL573,23515,NIACOR,15940,938,OC(=O)C1=CN=CC=C1,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",PVNIIMVLHYAWGP-UHFFFAOYSA-N
DB00628,23887-31-2,Clorazepic acid,"['illicit', 'approved']","['7388368', '27317413', '7881198']",N05BA05,D00694,235408,PA164749297,,,,CHEMBL1213252,,DIPOTASSIUM CLORAZEPATE,3761,2809,OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)",XDDJGVMJFWAHJX-UHFFFAOYSA-N
DB00629,5051-62-7,Guanabenz,"['approved', 'investigational']",,,D04375,5033,PA164774903,,3952,ZINC000242701441,CHEMBL1313657,81979,,92998,3517,NC(N)=NN=CC1=C(Cl)C=CC=C1Cl,"InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+",WDZVGELJXXEGPV-YIXHJXPBSA-N
DB00630,66376-36-1,Alendronic acid,approved,"['30650219', '8246140', '1356743', '18214569', '10384857']","['M05BA04', 'M05BB05', 'M05BB06', 'M05BB03']",,236083,PA448082,212,112,ZINC000003801919,CHEMBL870,25313,FOSAMAX,2567,2088,NCCCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)",OGSPWJRAVKPPFI-UHFFFAOYSA-N
DB00631,123318-82-1,Clofarabine,"['approved', 'investigational']","['19463072', '19519505', '19576186', '20631817', '18728851']",L01BB06,,44151,PA164754863,CFB,691,ZINC000003798247,CHEMBL1750,50247921,EVOLTRA,681569,119182,[H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12,"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1",WDDPHFBMKLOVOX-AYQXTPAHSA-N
DB00632,661-19-8,Docosanol,"['approved', 'investigational']",,D06BB11,,594680,PA164749211,,940,ZINC000006920384,CHEMBL1200453,50239998,DOCOSANOL,31000,12620,CCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3",NOPFSRXAKWQILS-UHFFFAOYSA-N
DB00633,113775-47-6,Dexmedetomidine,"['vet_approved', 'approved']",,N05CM18,D00514,48937,PA449256,CZX,835,ZINC000004632106,CHEMBL778,50085683,SILEO,4466,5311068,C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1",CUHVIMMYOGQXCV-NSHDSACASA-N
DB00634,144-80-9,Sulfacetamide,approved,"['14959943', '1578876', '15224788']","['S01AB04', 'D10AF06', 'G01AE10']",D05947,10169,PA451536,,2497,ZINC000005179119,CHEMBL455,50316126,SULFACETAMIDE SODIUM,63845,5320,CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",SKIVFJLNDNKQPD-UHFFFAOYSA-N
DB00635,53-03-2,Prednisone,"['vet_approved', 'approved']","['23300763', '30285357', '378499', '15634032', '25800201', '7310640', '2199128']","['A07EA03', 'H02AB07']",D00473,8640,PA451100,PDN,2253,ZINC000003875357,CHEMBL635,,PREDNISONE INTENSOL,8382,5865,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",XOFYZVNMUHMLCC-ZPOLXVRWSA-N
DB00636,637-07-0,Clofibrate,"['approved', 'investigational']",,C10AB01,D00279,2594,PA449045,,694,ZINC000000056648,CHEMBL565,50085047,ATROMID-S,3750,2796,CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1,"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3",KNHUKKLJHYUCFP-UHFFFAOYSA-N
DB00637,68844-77-9,Astemizole,"['withdrawn', 'approved']","['16723379', '16816845']",R06AX11,D00234,42328,PA448498,XB7,249,ZINC000000601274,CHEMBL296419,24226,,2896,2247,COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1,"InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)",GXDALQBWZGODGZ-UHFFFAOYSA-N
DB00638,9005-80-5,Inulin,"['approved', 'nutraceutical', 'investigational']","['16087995', '12514257', '15877886', '10395609']",V04CH01,D00171,5924,PA450043,,,,,,,,,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(OC[C@@]6(OC[C@@]7(OC[C@@]8(OC[C@@]9(OC[C@@]%10(OC[C@@]%11(OC[C@@]%12(OC[C@@]%13(OC[C@@]%14(OC[C@@]%15(OC[C@@]%16(OC[C@@]%17(OC[C@@]%18(OC[C@@]%19(OC[C@@]%20(OC[C@@]%21(OC[C@@]%22(OC[C@@]%23(OC[C@@]%24(OC[C@@]%25(OC[C@@]%26(OC[C@@]%27(OC[C@@]%28(OC[C@@]%29(OC[C@@]%30(OC[C@@]%31(OC[C@@]%32(OC[C@@]%33(OC[C@@]%34(OC[C@@]%35(OC[C@@]%36(OC[C@@]%37(O[C@H]%38O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%38O)O[C@H](CO)[C@@H](O)[C@@H]%37O)O[C@H](CO)[C@@H](O)[C@@H]%36O)O[C@H](CO)[C@@H](O)[C@@H]%35O)O[C@H](CO)[C@@H](O)[C@@H]%34O)O[C@H](CO)[C@@H](O)[C@@H]%33O)O[C@H](CO)[C@@H](O)[C@@H]%32O)O[C@H](CO)[C@@H](O)[C@@H]%31O)O[C@H](CO)[C@@H](O)[C@@H]%30O)O[C@H](CO)[C@@H](O)[C@@H]%29O)O[C@H](CO)[C@@H](O)[C@@H]%28O)O[C@H](CO)[C@@H](O)[C@@H]%27O)O[C@H](CO)[C@@H](O)[C@@H]%26O)O[C@H](CO)[C@@H](O)[C@@H]%25O)O[C@H](CO)[C@@H](O)[C@@H]%24O)O[C@H](CO)[C@@H](O)[C@@H]%23O)O[C@H](CO)[C@@H](O)[C@@H]%22O)O[C@H](CO)[C@@H](O)[C@@H]%21O)O[C@H](CO)[C@@H](O)[C@@H]%20O)O[C@H](CO)[C@@H](O)[C@@H]%19O)O[C@H](CO)[C@@H](O)[C@@H]%18O)O[C@H](CO)[C@@H](O)[C@@H]%17O)O[C@H](CO)[C@@H](O)[C@@H]%16O)O[C@H](CO)[C@@H](O)[C@@H]%15O)O[C@H](CO)[C@@H](O)[C@@H]%14O)O[C@H](CO)[C@@H](O)[C@@H]%13O)O[C@H](CO)[C@@H](O)[C@@H]%12O)O[C@H](CO)[C@@H](O)[C@@H]%11O)O[C@H](CO)[C@@H](O)[C@@H]%10O)O[C@H](CO)[C@@H](O)[C@@H]9O)O[C@H](CO)[C@@H](O)[C@@H]8O)O[C@H](CO)[C@@H](O)[C@@H]7O)O[C@H](CO)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C228H382O191/c229-1-76-114(268)152(306)153(307)191(381-76)419-228(190(344)151(305)113(38-266)418-228)75-380-227(189(343)150(304)112(37-265)417-227)74-379-226(188(342)149(303)111(36-264)416-226)73-378-225(187(341)148(302)110(35-263)415-225)72-377-224(186(340)147(301)109(34-262)414-224)71-376-223(185(339)146(300)108(33-261)413-223)70-375-222(184(338)145(299)107(32-260)412-222)69-374-221(183(337)144(298)106(31-259)411-221)68-373-220(182(336)143(297)105(30-258)410-220)67-372-219(181(335)142(296)104(29-257)409-219)66-371-218(180(334)141(295)103(28-256)408-218)65-370-217(179(333)140(294)102(27-255)407-217)64-369-216(178(332)139(293)101(26-254)406-216)63-368-215(177(331)138(292)100(25-253)405-215)62-367-214(176(330)137(291)99(24-252)404-214)61-366-213(175(329)136(290)98(23-251)403-213)60-365-212(174(328)135(289)97(22-250)402-212)59-364-211(173(327)134(288)96(21-249)401-211)58-363-210(172(326)133(287)95(20-248)400-210)57-362-209(171(325)132(286)94(19-247)399-209)56-361-208(170(324)131(285)93(18-246)398-208)55-360-207(169(323)130(284)92(17-245)397-207)54-359-206(168(322)129(283)91(16-244)396-206)53-358-205(167(321)128(282)90(15-243)395-205)52-357-204(166(320)127(281)89(14-242)394-204)51-356-203(165(319)126(280)88(13-241)393-203)50-355-202(164(318)125(279)87(12-240)392-202)49-354-201(163(317)124(278)86(11-239)391-201)48-353-200(162(316)123(277)85(10-238)390-200)47-352-199(161(315)122(276)84(9-237)389-199)46-351-198(160(314)121(275)83(8-236)388-198)45-350-197(159(313)120(274)82(7-235)387-197)44-349-196(158(312)119(273)81(6-234)386-196)43-348-195(157(311)118(272)80(5-233)385-195)42-347-194(156(310)117(271)79(4-232)384-194)41-346-193(155(309)116(270)78(3-231)383-193)40-345-192(39-267)154(308)115(269)77(2-230)382-192/h76-191,229-344H,1-75H2/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152+,153-,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228+/m1/s1",JYJIGFIDKWBXDU-MNNPPOADSA-N
DB00639,64872-76-0,Butoconazole,approved,,"['G01AF15', 'G01AF20']",D07598,19884,PA164781353,,,,CHEMBL1295,79206,BUTOCONAZOLE NITRATE,3240,47472,ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1,"InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2",SWLMUYACZKCSHZ-UHFFFAOYSA-N
DB00640,58-61-7,Adenosine,"['approved', 'investigational']","['17798867', '8151404', '21064444', '31821783', '26316329', '30085591', '10930971', '22643345', '22723530']",C01EB10,D00045,296,PA448049,ADN,90,ZINC000002169830,CHEMBL477,14487,ADENOSINE,16335,60961,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",OIRDTQYFTABQOQ-KQYNXXCUSA-N
DB00641,79902-63-9,Simvastatin,approved,"['22085316', '30969322', '11385505', '17640385', '20847985', '12114036', '5539274', '17192506', '23469684', '19474787', '22607822', '10503952', '17108811', '23440795', '18997196', '7968073', '18213452', '23047648', '9841303', '18650507', '15822172', '15007110', '27712954', '12860216', '16287954', '27757045']","['C10BA02', 'C10BX01', 'A10BH51', 'C10BA04', 'C10BX04', 'C10AA01']",D00434,36567,PA451363,,2445,ZINC000003780893,CHEMBL1064,50139181,MK-0733,9150,54454,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC,"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1",RYMZZMVNJRMUDD-HGQWONQESA-N
DB00642,137281-23-3,Pemetrexed,"['approved', 'investigational']","['17845983', '16291410', '20446853', '12722874']",L01BA04,D07472,68446,PA10810,LYA,2073,ZINC000001540998,CHEMBL225072,50027656,ALIMTA,63616,135410875,NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1,"InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1",WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
DB00643,31431-39-7,Mebendazole,"['vet_approved', 'approved']",,"['P02CA51', 'P02CA01']",D00368,6672,PA164776669,,1641,ZINC000000121541,CHEMBL685,50180753,VERMOX,6704,4030,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1,"InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)",OPXLLQIJSORQAM-UHFFFAOYSA-N
DB00644,33515-09-2,Gonadorelin,"['vet_approved', 'approved', 'investigational']","['16373418', '16621281']","['H01CA01', 'V04CM01']",,6384,PA449801,,2958,,CHEMBL1981292,,,,36523,CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O,"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)",XLXSAKCOAKORKW-UHFFFAOYSA-N
DB00645,586-60-7,Dyclonine,approved,,"['R02AD04', 'N01BX02']",,23744,PA164748037,,974,ZINC000001530940,CHEMBL1201217,50240047,DYCLONINE HYDROCHLORIDE,4724,3180,CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1,"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3",BZEWSEKUUPWQDQ-UHFFFAOYSA-N
DB00646,1400-61-9,Nystatin,"['vet_approved', 'approved']","['29098221', '22541068', '16500971', '7534361', '21756054', '26679628', '29551534']","['G01AA01', 'A07AA02', 'G01AA51', 'D01AA01']",D00202,7597,PA450666,,1977,ZINC000253387941,CHEMBL450895,,MYCOSTATIN,473992,11286230,[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",VQOXZBDYSJBXMA-NQTDYLQESA-N
DB00647,469-62-5,Dextropropoxyphene,"['withdrawn', 'illicit', 'approved', 'investigational']","['12818953', '10690289', '6249436']","['N02AC74', 'N02AC04', 'N02AC54']",D07809,8785,PA451142,,844,ZINC000001530769,CHEMBL1213351,82269,DEXTROPROPOXYPHENE,51173,10100,CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1",XLMALTXPSGQGBX-GCJKJVERSA-N
DB00648,53-19-0,Mitotane,approved,,L01XX23,D00420,7004,PA164746157,,1820,,CHEMBL1670,50239991,CB 313,6954,4211,ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl,"InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H",JWBOIMRXGHLCPP-UHFFFAOYSA-N
DB00649,3056-17-5,Stavudine,"['approved', 'investigational']",,"['J05AF04', 'J05AR07']",D00445,59763,PA451494,,2478,ZINC000000137884,CHEMBL991,50013111,SANILVUDINE,63581,18283,CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O,"InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1",XNKLLVCARDGLGL-JGVFFNPUSA-N
DB00650,58-05-9,Leucovorin,approved,"['19822510', '8689347', '2410416', '22332074', '8353099', '23032661']","['V03AF06', 'V03AF03']",D07986,6313,PA450198,,1232,,CHEMBL1679,50239970,RESCUVOLIN,15640,135403648,[H]C(=O)N1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1",VVIAGPKUTFNRDU-ABLWVSNPSA-N
DB00651,479-18-5,Dyphylline,approved,,"['R03DA01', 'R03DA20', 'R03DA51', 'R03DB01']",D00691,3714,PA164748027,,976,,CHEMBL1752,82016,NEOTHYLLINE,4728,3182,CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O,"InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3",KSCFJBIXMNOVSH-UHFFFAOYSA-N
DB00652,359-83-1,Pentazocine,"['vet_approved', 'approved']",,N02AD01,D00498,8001,PA164744326,,3424,,CHEMBL100116,50032403,PENTAZOCINE LACTATE,182080,4736,CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C(C)C,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3",VOKSWYLNZZRQPF-UHFFFAOYSA-N
DB00653,7487-88-9,Magnesium sulfate,"['vet_approved', 'approved', 'investigational']","['16724078', '20226604', '16929415', '3193315', '7432730', '9848759', '16002955', '9286718', '14985884', '9194621', '8188843', '1923163', '2705341']","['A06AD04', 'A12CC02', 'D11AX05', 'V04CC02', 'B05XA05']",D01108,1311625,PA450302,,,,CHEMBL2021423,,MAGNESIUM SULFATE,32599,24083,[Mg++].[O-]S([O-])(=O)=O,"InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",CSNNHWWHGAXBCP-UHFFFAOYSA-L
DB00654,130209-82-4,Latanoprost,"['approved', 'investigational']","['11406947', '29921209', '12204697', '8922563', '25328381']","['S01EE51', 'S01EE01']",D00356,43611,PA164774763,,1551,ZINC000012468792,CHEMBL1051,50240648,PHXA-41,6384,5311221,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1,"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1",GGXICVAJURFBLW-CEYXHVGTSA-N
DB00655,53-16-7,Estrone,approved,"['12796390', '12866733']","['G03CA07', 'G03CC04']",D00067,4103,PA449512,J3Z,3188,ZINC000013509425,CHEMBL1405,17289,ESTRONE,17263,5870,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",DNXHEGUUPJUMQT-CBZIJGRNSA-N
DB00656,19794-93-5,Trazodone,"['approved', 'investigational']","['8019056', '26483693', '9537821', '1438031', '18494537', '29552421', '24191974', '1365657', '15978881', '20095366', '28707591', '23192413', '9616194', '11817501', '7673654', '1037253', '29333613', '20694124', '12930437']",N06AX05,D08626,10737,PA451744,,2717,ZINC000000538483,CHEMBL621,50073444,AF-1161,9654,5533,ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1,"InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2",PHLBKPHSAVXXEF-UHFFFAOYSA-N
DB00657,60-40-2,Mecamylamine,"['approved', 'investigational']",,C02BB01,,6673,PA450334,,1646,,CHEMBL267936,50061565,MECAMYLAMINE HYDROCHLORIDE,6706,4032,CNC1(C)C2CCC(C2)C1(C)C,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3",IMYZQPCYWPFTAG-UHFFFAOYSA-N
DB00658,52757-95-6,Sevelamer,approved,,V03AE02,D01983,214824,PA164781197,,,,CHEMBL1201798,,GT335-012,,3085017,NCC=C.ClCC1CO1,"InChI=1S/C3H5ClO.C3H7N/c4-1-3-2-5-3;1-2-3-4/h3H,1-2H2;2H,1,3-4H2",ZNSIZMQNQCNRBW-UHFFFAOYSA-N
DB00659,77337-76-9,Acamprosate,"['approved', 'investigational']","['11584875', '9514305', '9660305', '32159228', '19412493', '23278595', '9509257', '9839087', '16467406', '9179530']",N07BB03,D07058,82819,PA10344,,38,ZINC000001554588,CHEMBL1201293,,AOTAL,51041,71158,CC(=O)NCCCS(O)(=O)=O,"InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)",AFCGFAGUEYAMAO-UHFFFAOYSA-N
DB00660,1665-48-1,Metaxalone,approved,"['18711953', '6999895']",,D00773,59078,PA164747189,,1722,,CHEMBL1079604,,ZORANE,6797,15459,CC1=CC(OCC2CNC(=O)O2)=CC(C)=C1,"InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)",IMWZZHHPURKASS-UHFFFAOYSA-N
DB00661,52-53-9,Verapamil,approved,"['18974361', '8725386', '6297831', '21149638', '25966690', '11372000', '16892180', '12883317', '3542336', '19515014', '19125880', '9570190', '1956867']","['C09BB10', 'C08DA01', 'C08DA51']",D02356,11170,PA451868,,2815,,CHEMBL6966,81939,VERAPAMIL HYDROCHLORIDE,77733,2520,COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3",SGTNSNPWRIOYBX-UHFFFAOYSA-N
DB00662,138-56-7,Trimethobenzamide,"['approved', 'investigational']","['5908416', '7400373']",R06AA10,D08643,38685,PA164764516,,2754,ZINC000000538509,CHEMBL1201256,,TIGAN,27796,5577,COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1,"InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)",FEZBIKUBAYAZIU-UHFFFAOYSA-N
DB00663,2135-17-3,Flumethasone,"['vet_approved', 'approved']",,"['S02CA02', 'D07AB03', 'D07CB05', 'D07BB01', 'D07XB01']",D04208,4458,PA164749388,,4548,ZINC000003983936,CHEMBL1201392,50240002,,34764,16490,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",WXURHACBFYSXBI-GQKYHHCASA-N
DB00664,152-47-6,Sulfametopyrazine,"['withdrawn', 'approved']",,"['J01ED02', 'G01AE10']",D01216,10175,PA164747038,,2517,ZINC000000002097,CHEMBL1525826,,SULFALENE,32162,9047,COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",KXRZBTAEDBELFD-UHFFFAOYSA-N
DB00665,63612-50-0,Nilutamide,"['approved', 'investigational']","['12686822', '17576447']",L02BB02,D00965,31805,PA450632,,1933,ZINC000003874498,CHEMBL1274,50135912,NILANDRON,7573,4493,CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,"InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)",XWXYUMMDTVBTOU-UHFFFAOYSA-N
DB00666,76932-56-4,Nafarelin,approved,"['1531576', '2140979', '1531579', '7996307', '1830521', '9622415', '2151003']",H01CA02,,28656,PA164754805,,1868,,,84707,,7445,25077405,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1",RWHUEXWOYVBUCI-ITQXDASVSA-N
DB00668,51-43-4,Epinephrine,"['vet_approved', 'approved']","['23196774', '10454061', '24114291', '12717538', '8609227', '7214942', '28836556']","['R03AK01', 'B02BC09', 'S01EA51', 'R01AA14', 'S01EA01', 'R03AA01', 'A01AD01', 'C01CA24']",D00095,3992,PA449470,ALE,1028,ZINC000000039089,CHEMBL679,44818,EPINEPHRINE BITARTRATE,28918,139148732,CNC[C@H](O)C1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",UCTWMZQNUQWSLP-VIFPVBQESA-N
DB00669,103628-46-2,Sumatriptan,"['approved', 'investigational']","['18471110', '1320526', '18723285', '9795022']","['G01AE10', 'N02CC01']",D00451,37418,PA451566,,2543,ZINC000000014360,CHEMBL128,50005835,SUMATRIPTAN SUCCINATE,10650,5358,CNS(=O)(=O)CC1=CC=C2NC=C(CCN(C)C)C2=C1,"InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3",KQKPFRSPSRPDEB-UHFFFAOYSA-N
DB00670,28797-61-7,Pirenzepine,approved,16519089,A02BX03,D08389,8352,PA10159,,2200,ZINC000019632927,CHEMBL9967,39341,PIRENZEPINE,8247,4848,CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=C2N=CC=C3)CC1,"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)",RMHMFHUVIITRHF-UHFFFAOYSA-N
DB00671,79350-37-1,Cefixime,"['approved', 'investigational']","['17509176', '8537138']",J01DD08,D00258,25033,PA164768821,C04,537,ZINC000004468778,CHEMBL1541,84007,CEFIXIME,472657,5362065,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1",OKBVVJOGVLARMR-QSWIMTSFSA-N
DB00672,94-20-2,Chlorpropamide,"['approved', 'investigational']",,A10BB02,D00271,2404,PA448966,,622,ZINC000001530599,CHEMBL498,50344965,GLUCAMIDE,3650,2727,CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)",RKWGIWYCVPQPMF-UHFFFAOYSA-N
DB00673,170729-80-3,Aprepitant,"['approved', 'investigational']",,A04AD12,D02968,358255,PA164747039,GBQ,230,ZINC000027428713,CHEMBL1471,50220136,MK-0869,499361,135413536,C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1",ATALOFNDEOCMKK-OITMNORJSA-N
DB00674,357-70-0,Galantamine,approved,"['12137632', '10606746', '14674789', '28031923', '26813123', '11950787', '15728839', '12177686', '11129124']",N06DA04,D04292,4637,PA449726,GNT,1272,ZINC000000491073,CHEMBL659,10404,RAZADYNE,42944,9651,[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1",ASUTZQLVASHGKV-JDFRZJQESA-N
DB00675,10540-29-1,Tamoxifen,approved,"['15639680', '2702659', '10383884', '27083550', '12124303', '6870933', '25157097', '2393854', '15987777', '16334131', '8242225', '4361333', '24328412', '23962908']",L02BA01,D08559,10324,PA451581,CTX,2561,ZINC000001530689,CHEMBL83,20607,SOLTAMOX,41774,2733526,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-",NKANXQFJJICGDU-QPLCGJKRSA-N
DB00676,120-51-4,Benzyl benzoate,approved,"['20177574', '12667233']",P03AX01,D01138,19044,PA164748881,BZM,335,ZINC000000001021,CHEMBL1239,50134035,BENZYL BENZOATE,41237,2345,O=C(OCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",SESFRYSPDFLNCH-UHFFFAOYSA-N
DB00677,55-91-4,Isoflurophate,"['withdrawn', 'approved', 'investigational']",,,D00043,6027,PA164748933,,1494,ZINC000008214587,CHEMBL1025,50022772,,17941,5936,CC(C)OP(F)(=O)OC(C)C,"InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",MUCZHBLJLSDCSD-UHFFFAOYSA-N
DB00678,114798-26-4,Losartan,approved,"['16029066', '19515014']","['C09DA01', 'C09CA01', 'C09DB06']",D08146,52175,PA450268,LSN,1610,ZINC000003873160,CHEMBL191,82258,LOSARTAN,6541,3961,CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",PSIFNNKUMBGKDQ-UHFFFAOYSA-N
DB00679,50-52-2,Thioridazine,"['withdrawn', 'approved']",,N05AC02,D00373,10502,PA451666,,2637,,CHEMBL479,50002338,TP-21,9566,5452,CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1,"InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",KLBQZWRITKRQQV-UHFFFAOYSA-N
DB00680,31883-05-3,Moricizine,"['withdrawn', 'approved', 'investigational']",,C01BG01,D05077,40169,PA164747738,,1842,ZINC000019340795,CHEMBL1075,,EN-313,6997,34633,CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1,"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)",FUBVWMNBEHXPSU-UHFFFAOYSA-N
DB00681,1397-89-3,Amphotericin B,"['approved', 'investigational']",,"['A07AA07', 'J02AA01', 'G01AA03', 'A01AB04']",D00203,236594,PA448415,,197,ZINC000253387843,CHEMBL267345,50457967,AMBISOME,2682,91819969,[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",APKFDSVGJQXUKY-INPOYWNPSA-N
DB00682,81-81-2,Warfarin,approved,"['15911722', '30574812', '12742309', '26885473', '15383473', '14765195', '646989', '18574265', '1564123', '22437371', '14765194', '16372822', '24788967', '30951640']",B01AA03,,11289,PA451906,,2847,,CHEMBL1464,50343352,WARFARIN,87732,54678486,CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",PJVWKTKQMONHTI-UHFFFAOYSA-N
DB00683,59467-70-8,Midazolam,"['illicit', 'approved']","['26365137', '17287588', '15089115', '6135616', '10030438', '2894998', '9258787']",N05CD08,D00550,6960,PA450496,08J,1802,ZINC000095626706,CHEMBL655,21363,USL-261,6931,4192,CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",DDLIGBOFAVUZHB-UHFFFAOYSA-N
DB00684,32986-56-4,Tobramycin,"['approved', 'investigational']","['30413565', '3325794', '25645838', '30113694', '4577795', '3013085', '27208771', '343106', '2426712', '17660832', '6794444', '30447062']","['J01GB01', 'S01AA12']",D00063,10627,PA451704,TOY,2684,ZINC000008214692,CHEMBL1747,50366778,TOBRAMYCIN,28864,36294,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",NLVFBUXFDBBNBW-PBSUHMDJSA-N
DB00685,147059-72-1,Trovafloxacin,"['withdrawn', 'approved', 'investigational']",,J01MA13,,115552,PA164749184,TR6,2777,ZINC000100030989,CHEMBL428,,,9763,,[H][C@@]12CN(C[C@]1([H])[C@H]2N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=C(F)C=C(F)C=C1)C(O)=O,"InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+",WVPSKSLAZQPAKQ-CDMJZVDBSA-N
DB00686,37300-21-3,Pentosan polysulfate,approved,12014849,"['C05BA04', 'G04BX15']",,155046,PA164774806,,,ZINC000014879975,CHEMBL4073796,,,184555,37720,O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O,"InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1",FCCNSUIJIOOXEZ-SJYYZXOBSA-N
DB00687,127-31-1,Fludrocortisone,"['approved', 'investigational']","['7846738', '24503135', '28083797', '907708', '11996015', '6274900', '8157723', '8274419', '25611194', '12466373', '13746120', '28435101']","['S02CA07', 'S01CA06', 'H02AA02', 'S03CA05']",D07967,4452,PA164743961,ZK5,,ZINC000004097304,CHEMBL1201388,,,50885,31378,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1",AAXVEMMRQDVLJB-BULBTXNYSA-N
DB00688,128794-94-5,Mycophenolate mofetil,"['approved', 'investigational']","['15570183', '15803924', '30761563', '18763324', '14640931', '20655577', '24220207', '21278895', '8680053', '24987184', '19834629', '21142265']",,D00752,68149,PA450566,,1859,ZINC000021297660,CHEMBL1456,50248299,CELLCEPT,8764,5281078,COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C,"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+",RTGDFNSFWBGLEC-SYZQJQIISA-N
DB00689,3577-01-3,Cephaloglycin,approved,"['2930580', '2133431']",,D01949,,PA164781027,,572,ZINC000003830503,CHEMBL1200971,,,34613,19150,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,"InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1",FUBBGQLTSCSAON-PBFPGSCMSA-N
DB00690,17617-23-1,Flurazepam,"['illicit', 'approved', 'investigational']","['18375', '15089115', '851373', '2883820', '2570451']",N05CD01,D00329,4501,PA449681,FL7,1218,ZINC000000537752,CHEMBL968,,FLURAZEPAM,5128,3393,CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3",SAADBVWGJQAEFS-UHFFFAOYSA-N
DB00691,103775-10-6,Moexipril,approved,"['9620109', '2554270', '17266629', '8803515', '15030263', '11918132', '15823625', '11837383', '9643274', '7608310', '15286086', '17583172', '9617599', '9825188']","['C09BA13', 'C09AA13']",,30131,PA164769059,,1827,ZINC000003812306,CHEMBL1165,50084673,MOEXIPRIL,6960,91270,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O,"InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1",UWWDHYUMIORJTA-HSQYWUDLSA-N
DB00692,50-60-2,Phentolamine,approved,,"['C04AB01', 'V03AB36']",,8153,PA450926,,2142,ZINC000000020251,CHEMBL597,31046,PHENTOLAMINE,8081,4920903,CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1,"InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)",MRBDMNSDAVCSSF-UHFFFAOYSA-N
DB00693,2321-07-5,Fluorescein,approved,12450204,"['S01JA51', 'S01JA01']",D01261,25138,PA164746009,FLU,,ZINC000003860453,CHEMBL1057,50237588,,31624,16850,OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C2C=CC=C3)=C1,"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",GNBHRKFJIUUOQI-UHFFFAOYSA-N
DB00694,20830-81-3,Daunorubicin,approved,"['32955826', '31213803', '6189661', '32644499']","['L01XY01', 'L01DB02']",D07776,3109,PA449212,DM1,786,ZINC000003917708,CHEMBL178,32017,DAUNORUBICIN HYDROCHLORIDE,41977,30323,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1",STQGQHZAVUOBTE-VGBVRHCVSA-N
DB00695,54-31-9,Furosemide,"['vet_approved', 'approved']","['12115021', '43224', '26240596', '8785407', '902673', '11441327', '2185908']","['C03CB01', 'G01AE10', 'C03EB01', 'C03CA01']",D00331,4603,PA449719,FUN,1258,ZINC000000035804,CHEMBL35,25902,LB-502,47426,3440,NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",ZZUFCTLCJUWOSV-UHFFFAOYSA-N
DB00696,113-15-5,Ergotamine,approved,"['17133714', '10611116']","['N02CA02', 'N02CA72', 'N02CA52']",D07906,4025,PA164747651,ERM,1043,ZINC000052955754,CHEMBL442,50027065,ERGOTAMINE,64318,8223,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1",XCGSFFUVFURLIX-VFGNJEKYSA-N
DB00697,51322-75-9,Tizanidine,"['approved', 'investigational']","['7572012', '2600869', '18199279', '19629211', '25750484', '9074844', '29467587', '18671474']",M03BX02,,57258,PA451701,,2683,ZINC000019702309,CHEMBL1079,50240671,DS-103-282,63629,5487,ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1,"InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)",XFYDIVBRZNQMJC-UHFFFAOYSA-N
DB00698,67-20-9,Nitrofurantoin,"['vet_approved', 'approved']","['7085535', '7376', '7928834', '7226713', '29271734', '6626697', '11434731']","['J01XE51', 'J01XE01']",D00439,235559,PA450640,U6Z,1949,ZINC000003875368,CHEMBL572,57045,NITROFURANTOIN SODIUM,71415,6604200,[O-][N+](=O)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O,"InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+",NXFQHRVNIOXGAQ-YCRREMRBSA-N
DB00699,27848-84-6,Nicergoline,"['approved', 'investigational']",18666801,C04AE02,D01290,7398,PA164743014,,1910,ZINC000003873817,CHEMBL1372950,,SERMION,31902,34040,[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@]1(C[C@@H](COC(=O)C1=CN=CC(Br)=C1)CN2C)OC,"InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1",YSEXMKHXIOCEJA-FVFQAYNVSA-N
DB00700,107724-20-9,Eplerenone,approved,,C03DA04,D01115,298869,PA164749044,YNU,1032,ZINC000003985982,CHEMBL1095097,50318300,INSPRA,31547,443872,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC,"InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1",JUKPWJGBANNWMW-VWBFHTRKSA-N
DB00701,161814-49-9,Amprenavir,"['approved', 'investigational']",,J05AE05,D00894,228656,PA448422,478,200,ZINC000003809192,CHEMBL116,50215393,AMPRENAVIR,40050,65016,CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1",YMARZQAQMVYCKC-OEMFJLHTSA-N
DB00702,337376-15-5,Icodextrin,"['approved', 'investigational']",12962523,,,140480,PA164743096,,,,,,,,,,,
DB00703,554-57-4,Methazolamide,approved,"['12602587', '9109770', '10533697']","['S01EC05', 'G01AE10']",D00655,6826,PA450413,,1741,ZINC000100019188,CHEMBL19,50013792,METHAZOLAMIDE,6822,,CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O,"InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+",FLOSMHQXBMRNHR-QPJJXVBHSA-N
DB00704,16590-41-3,Naltrexone,"['vet_approved', 'approved', 'investigational']","['18070245', '17080248', '20201811', '11316375']","['N02AA56', 'A08AA62', 'N07BB04']",D05113,7243,PA450588,,1765,ZINC000000001773,CHEMBL19019,60212,REVIA,7465,5360515,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O,"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1",DQCKKXVULJGBQN-XFWGSAIBSA-N
DB00705,136817-59-9,Delavirdine,approved,,J05AG02,,83816,PA449223,SPP,799,ZINC000018516586,CHEMBL593,1944,RESCRIPTOR,119573,5625,CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2,"InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3",WHBIGIKBNXZKFE-UHFFFAOYSA-N
DB00706,106133-20-4,Tamsulosin,"['approved', 'investigational']","['8810034', '25684798', '11950378', '9492387']","['G01AE10', 'G04CA02', 'G04CA53', 'G04CA52', 'G04CA54']",,77492,PA451583,,2562,ZINC000001530694,CHEMBL836,50060964,TAMSULOSIN,9398,129211,CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O,"InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1",DRHKJLXJIQTDTD-OAHLLOKOSA-N
DB00707,87806-31-3,Porfimer sodium,"['approved', 'investigational']",,L01XD01,,333848,PA164752658,,,,,,,,,,,
DB00708,56030-54-7,Sufentanil,"['approved', 'investigational']","['29122372', '28341939', '25318408', '23397116', '29498947', '29234209', '26516461', '24635521', '25544247']",N01AH03,D05938,56795,PA451527,,2491,ZINC000000538386,CHEMBL658,94503,SUFENTANIL,9316,41693,CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1,"InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3",GGCSSNBKKAUURC-UHFFFAOYSA-N
DB00709,134678-17-4,Lamivudine,"['approved', 'investigational']",17310820,"['J05AR27', 'J05AR04', 'J05AR01', 'J05AR02', 'J05AR16', 'J05AR12', 'J05AR05', 'J05AR24', 'J05AR13', 'J05AR07', 'J05AR11', 'J05AF05', 'J05AR25']",D00353,68244,PA450163,3TC,1539,ZINC000000012346,CHEMBL141,50366817,LAMIVUDINE,63577,60825,NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1,"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1",JTEGQNOMFQHVDC-NKWVEPMBSA-N
DB00710,114084-78-5,Ibandronate,"['approved', 'investigational']","['30650219', '23044853', '16956306', '9145236', '18624681', '15317823', '18442135', '11389070', '8266826', '18214569']","['M05BA06', 'M05BB09']",,115264,PA10270,BFQ,1404,ZINC000001533877,CHEMBL997,12577,BM-21.0955,,60852,CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)",MPBVHIBUJCELCL-UHFFFAOYSA-N
DB00711,90-89-1,Diethylcarbamazine,"['vet_approved', 'approved', 'investigational']",,P02CB02,D07825,3384,PA164748883,,873,ZINC000000001288,CHEMBL684,,DIETHYLCARBAMAZINE,4527,3052,CCN(CC)C(=O)N1CCN(C)CC1,"InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3",RCKMWOKWVGPNJF-UHFFFAOYSA-N
DB00712,5104-49-4,Flurbiprofen,"['approved', 'investigational']","['23668805', '22544663', '17285465', '19515014']","['S01BC04', 'M02AA19', 'R02AX01', 'M01AE09']",D00330,4502,PA449683,,1219,,CHEMBL563,50074922,OCUFEN,5130,3394,CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)",SYTBZMRGLBWNTM-UHFFFAOYSA-N
DB00713,66-79-5,Oxacillin,"['approved', 'investigational']",,"['J01CF04', 'J01CR50']",D08307,7773,PA450725,105,2006,ZINC000003875439,CHEMBL819,50350483,PROSTAPHLIN,7809,6196,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",UWYHMGVUTGAWSP-JKIFEVAISA-N
DB00714,58-00-4,Apomorphine,"['approved', 'investigational']","['14660177', '29546602', '36471', '9617507', '27979722', '24780865', '15037665', '20225277', '30432919', '32104425']","['N04BC07', 'G04BE07']",D07460,1043,PA164781163,OR9,228,ZINC000000009073,CHEMBL53,29644,APL-130277,48538,6005,[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23,"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1",VMWNQDUVQKEIOC-CYBMUJFWSA-N
DB00715,61869-08-7,Paroxetine,"['approved', 'investigational']","['25943764', '12923828', '10627793', '27032980', '15502598', '19515014', '16272179', '18345955', '23338224', '7959522', '8384945', '9690692', '26180025', '8834412', '16163406', '12421645', '10869387', '25342944', '15014729', '22435778', '25617872', '30606186', '27738376', '27695623']",N06AB05,D02362,32937,PA450801,8PR,2068,ZINC000000527386,CHEMBL490,50331515,PAROXETINE METHANESULFONATE,7936,43815,FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1",AHOUBRCZNHFOSL-YOEHRIQHSA-N
DB00716,69049-73-6,Nedocromil,"['approved', 'investigational']",,"['S01GX04', 'R03BC03', 'R01AC07']",D05129,31563,PA450601,,1889,ZINC000003782807,CHEMBL746,50239990,FPL-59002KP,7492,50294,CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",RQTOOFIXOKYGAN-UHFFFAOYSA-N
DB00717,68-22-4,Norethisterone,approved,"['3586677', '15548387', '11162927', '19059424', '18356043', '9806955', '6641224', '29583028', '15063480', '2143719', '3586665', '29617576', '10561657']","['G03FA01', 'G03FB05', 'G03DC02', 'G03AC01', 'G03AB04', 'G03AA05']",D00182,7514,PA450651,NDR,1962,ZINC000085205451,CHEMBL1162,50148732,NORETHISTERONE,7627,6230,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",VIKNJXKGJWUCNN-XGXHKTLJSA-N
DB00718,142340-99-6,Adefovir dipivoxil,"['approved', 'investigational']",,J05AF08,D01655,141400,PA10005,,88,ZINC000003930376,CHEMBL922,50248359,ADEFOVIR PIVOXIL,31175,60871,CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C,"InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)",WOZSCQDILHKSGG-UHFFFAOYSA-N
DB00719,3964-81-6,Azatadine,approved,"['8795241', '1982614', '1968324']",R06AX09,,18600,PA164747157,,268,ZINC000000968337,CHEMBL946,22868,,2946,19861,CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2,"InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3",SEBMTIQKRHYNIT-UHFFFAOYSA-N
DB00720,10596-23-3,Clodronic acid,"['vet_approved', 'approved', 'investigational']","['30650219', '19432497', '9145236', '8573422', '21555003', '18214569', '2525532']",M05BA02,,3350,PA10239,,690,ZINC000029747100,CHEMBL12318,50216172,BONEFOS,110423,146015374,OP(O)(=O)C(Cl)(Cl)P(O)(O)=O,"InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)",ACSIXWWBWUQEHA-UHFFFAOYSA-N
DB00721,59-46-1,Procaine,"['vet_approved', 'approved', 'investigational']",11714893,"['N01BA52', 'S01HA05', 'C05AD05', 'N01BA02']",D08422,8701,PA451110,,2271,ZINC000001530757,CHEMBL569,64452,NEOCAINE,8430,4914,CCN(CC)CCOC(=O)C1=CC=C(N)C=C1,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3",MFDFERRIHVXMIY-UHFFFAOYSA-N
DB00722,76547-98-3,Lisinopril,"['approved', 'investigational']","['28613705', '8891468', '2844083', '28780421', '25767283', '2539850', '29667175']","['C10BX07', 'C09AA03', 'C09BB03', 'C09BA03']",D00362,1546022,PA450242,LPR,1587,ZINC000003812863,CHEMBL1237,50367879,ZESTRIL,43755,139146300,NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1",RLAWWYSOJDYHDC-BZSNNMDCSA-N
DB00723,390-28-3,Methoxamine,"['approved', 'investigational']",,C01CA10,D08201,6853,PA450431,,1753,,CHEMBL524,50026777,NRL-001,6839,6082,COC1=CC(C(O)C(C)N)=C(OC)C=C1,"InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3",WJAJPNHVVFWKKL-UHFFFAOYSA-N
DB00724,99011-02-6,Imiquimod,"['approved', 'investigational']","['14616337', '10411278', '11812998', '17343595']",D06BB10,D02500,59943,PA449972,6T0,1429,ZINC000019632912,CHEMBL1282,50240849,ALDARA,36704,57469,CC(C)CN1C=NC2=C1C1=C(C=CC=C1)N=C2N,"InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)",DOUYETYNHWVLEO-UHFFFAOYSA-N
DB00725,80-49-9,Homatropine methylbromide,approved,,"['A03CB04', 'A03BB06']",D02070,1546413,PA164749405,,1380,,,,,50373,6646,[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1,"InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1",FUFVKLQESJNNAN-UHFFFAOYSA-M
DB00726,739-71-9,Trimipramine,approved,,N06AA06,D00394,10834,PA451791,,2758,,CHEMBL644,50240410,TRIMIPRAMINE MALEATE,9738,5584,CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3",ZSCDBOWYZJWBIY-UHFFFAOYSA-N
DB00727,55-63-0,Nitroglycerin,"['approved', 'investigational']","['3086541', '22040938', '12048254', '3125063', '6101155', '401445', '12890708', '8364671', '17055381', '9751938', '12060725']","['C01DA02', 'C01DA52', 'C05AE01']",D00515,4917,PA450644,TNG,1952,ZINC000008214625,CHEMBL730,,MINITRAN,28787,4510,[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O,"InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2",SNIOPGDIGTZGOP-UHFFFAOYSA-N
DB00728,143558-00-3,Rocuronium,approved,"['9424684', '11434449', '1551294', '8877248', '18603747', '8122487']",M03AC09,D00765,68139,PA164754992,,,ZINC000053229445,CHEMBL1201244,,ROCURONIUM BROMIDE,8884,441290,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1,"InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1",YXRDKMPIGHSVRX-OOJCLDBCSA-N
DB00730,148-79-8,Thiabendazole,"['vet_approved', 'approved']",,"['P02CA02', 'D01AC06']",D00372,10450,PA164746466,TMG,2621,ZINC000000073711,CHEMBL625,50121347,THIABENDAZOLE,45979,5430,N1C2=CC=CC=C2N=C1C1=CSC=N1,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",WJCNZQLZVWNLKY-UHFFFAOYSA-N
DB00731,105816-04-4,Nateglinide,"['approved', 'investigational']",,A10BX03,D01111,274332,PA450600,,1886,ZINC000101489663,CHEMBL783,50344967,DJN-608,31897,,CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1",OELFLUMRDSZNSF-BRWVUGGUSA-N
DB00732,64228-81-5,Atracurium besylate,approved,,,D00758,1219,PA164776840,,,,CHEMBL1200527,,,2915,47320,[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C=C1)[N+](C)(CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCC3=C(C=C(OC)C(OC)=C3)C1CC1=CC(OC)=C(OC)C=C1)CC2,"InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2",XXZSQOVSEBAPGS-UHFFFAOYSA-L
DB00733,6735-59-7,Pralidoxime,"['vet_approved', 'approved']",,V03AB04,,34345,PA164744926,,,ZINC000004577910,CHEMBL1420,234367,PRALIDOXIME CHLORIDE,8354,135484646,C[N+]1=C(\C=N\O)C=CC=C1,"InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1",JBKPUQTUERUYQE-UHFFFAOYSA-O
DB00734,106266-06-2,Risperidone,"['approved', 'investigational']","['19113797', '14610521', '7542051', '16004936', '19562274', '18537577', '7531854', '27486148', '25943458', '16716128', '15907153', '16118767', '9725965']",N05AX08,D00426,35636,PA451257,,2389,ZINC000000538312,CHEMBL85,50001885,RCN-3028,8871,5073,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1,"InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3",RAPZEAPATHNIPO-UHFFFAOYSA-N
DB00735,65472-88-0,Naftifine,approved,,D01AE22,,31476,PA164748617,,1872,,,,,93305,73342,CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12,"InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+",OZGNYLLQHRPOBR-DHZHZOJOSA-N
DB00736,119141-88-7,Esomeprazole,"['approved', 'investigational']","['27102658', '28588208', '29658189', '23825361', '16961157', '10886041', '19362552']","['M01AE52', 'A02BD06', 'A02BC05']",D07917,283742,PA10075,,1055,ZINC000004693574,CHEMBL1201320,,ESOMEPRAZOLE,50275,9568614,COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1",SUBDBMMJDZJVOS-DEOSSOPVSA-N
DB00737,569-65-3,Meclizine,approved,"['21903894', '26381004']","['R06AE55', 'R06AE05']",D08163,6676,PA450338,,1649,,CHEMBL1623,81467,MECLOZINE,6709,4034,CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1,"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3",OCJYIGYOJCODJL-UHFFFAOYSA-N
DB00738,100-33-4,Pentamidine,"['approved', 'investigational']",17191940,P01CX01,,7994,PA450850,PNT,2090,ZINC000001530775,CHEMBL55,45440,PENTAMIDINE,45081,4735,NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)",XDRYMKDFEDOLFX-UHFFFAOYSA-N
DB00739,3511-16-8,Hetacillin,"['withdrawn', 'vet_approved', 'approved']",4597707,"['J01CR50', 'J01CA18']",D01074,26797,PA164746559,,1363,ZINC000004102186,CHEMBL1201116,,,5683,40473404,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)C1=CC=CC=C1)C(O)=O,"InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1",DXVUYOAEDJXBPY-NFFDBFGFSA-N
DB00740,1744-22-5,Riluzole,"['approved', 'investigational']","['14702270', '15993857', '18172433', '9262334', '15752377', '18445055']",N07XX02,D00775,35623,PA451251,657,2382,ZINC000000006481,CHEMBL744,30705,RP-54274,8863,5070,NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2,"InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)",FTALBRSUTCGOEG-UHFFFAOYSA-N
DB00741,50-23-7,Hydrocortisone,"['vet_approved', 'approved']","['2050835', '13700365', '25425285', '24347992', '28521880', '7547394', '7398193', '8546995']","['S01BB01', 'H02AB09', 'S01CA03', 'D07XA01', 'S01CB03', 'A07EA02', 'R01AD60', 'S03CA04', 'D07BA04', 'S02CA03', 'S02BA01', 'A01AC03', 'D07CA01', 'C05AA01', 'S01BA02', 'D07AA02']",D00088,5492,PA449905,HCY,1388,ZINC000013540519,CHEMBL389621,13775,ANUSOL HC,17650,5754,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JYGXADMDTFJGBT-VWUMJDOOSA-N
DB00742,69-65-8,Mannitol,"['approved', 'investigational']","['11564247', '16235278', '30884217', '17322250', '6821187', '15035271', '12188940']","['A06AD16', 'B05BC01', 'B05CX04', 'R05CB16', 'V04CX04']",D00062,6628,PA450320,MTL,935,ZINC000002041302,CHEMBL689,,RESECTISOL,16899,6251,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",FBPFZTCFMRRESA-KVTDHHQDSA-N
DB00743,113662-23-0,Gadobenic acid,"['approved', 'investigational']","['10608397', '1546612', '10608412', '9818314', '17921081']",V08CA08,D08018,692620,PA164745426,,,,,,,,105124,[Gd+3].OC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)C(COCC1=CC=CC=C1)C(O)=O,"InChI=1S/C22H31N3O11.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);/q;+3/p-3",MXZROTBGJUUXID-UHFFFAOYSA-K
DB00744,111406-87-2,Zileuton,"['withdrawn', 'approved', 'investigational']","['17394438', '8081074', '8826571']",,D00414,40575,PA451955,,2862,,CHEMBL93,50000541,ZILEUTON,10112,60490,CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1,"InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)",MWLSOWXNZPKENC-UHFFFAOYSA-N
DB00745,68693-11-8,Modafinil,"['approved', 'investigational']","['16954326', '12614915']",N06BA07,D01832,30125,PA450530,,1826,,CHEMBL1373,50156055,CRL 40476,77585,4236,NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)",YFGHCGITMMYXAQ-UHFFFAOYSA-N
DB00746,70-51-9,Deferoxamine,"['approved', 'investigational']",,V03AC01,D03670,3131,PA164746490,,792,ZINC000003830635,CHEMBL556,47715,DEFEROXAMINE METHANESULFONATE,4356,2973,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)",UBQYURCVBFRUQT-UHFFFAOYSA-N
DB00747,51-34-3,Scopolamine,"['approved', 'investigational']","['24903776', '26955968', '16175141', '11097144', '30813289', '30566832', '31711626', '2762223']","['A04AD01', 'S01FA02', 'A04AD51', 'N05CM05']",D00138,9603,PA451308,,2424,ZINC000100037020,CHEMBL569713,50240039,SCOPOLAMINE,16794,,CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1",STECJAGHUSJQJN-FWXGHANASA-N
DB00748,486-16-8,Carbinoxamine,approved,13211145,R06AA08,,20220,PA164746898,,499,,CHEMBL864,81464,,3398,2564,CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3",OJFSXZCBGQGRNV-UHFFFAOYSA-N
DB00749,41340-25-4,Etodolac,"['vet_approved', 'approved', 'investigational']",,M01AB08,D00315,24605,PA449550,,1103,,CHEMBL622,50016799,FLANCOX,4909,3308,CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1,"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)",NNYBQONXHNTVIJ-UHFFFAOYSA-N
DB00750,721-50-6,Prilocaine,approved,,"['N01BB54', 'N01BB04']",D00553,8686,PA451101,,2265,,CHEMBL1194,50225477,CITANEST PLAIN,8404,4906,CCCNC(C)C(=O)NC1=CC=CC=C1C,"InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)",MVFGUOIZUNYYSO-UHFFFAOYSA-N
DB00751,80012-43-7,Epinastine,"['approved', 'investigational']","['1972625', '1982280']","['S01GX10', 'R06AX24']",D01713,39684,PA164764489,,1027,,CHEMBL1106,50131441,EPINASTINE,51032,3241,NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21,"InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)",WHWZLSFABNNENI-UHFFFAOYSA-N
DB00752,155-09-9,Tranylcypromine,"['approved', 'investigational']","['14574774', '16927039']",N06AF04,D08625,10734,PA451741,GJZ,2715,,CHEMBL313833,50113851,,131512,5530,NC1CC1C1=CC=CC=C1,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2",AELCINSCMGFISI-UHFFFAOYSA-N
DB00753,26675-46-7,Isoflurane,"['vet_approved', 'approved']",,N01AB06,D00545,6026,PA450106,ICF,1493,,CHEMBL1256,217353,ISOFLURANE,6015,3763,FC(F)OC(Cl)C(F)(F)F,"InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H",PIWKPBJCKXDKJR-UHFFFAOYSA-N
DB00754,86-35-1,Ethotoin,approved,13317788,N03AB01,D00708,4136,PA164768735,,1088,,CHEMBL1095,50239975,,4888,3292,CCN1C(=O)NC(C1=O)C1=CC=CC=C1,"InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)",SZQIFWWUIBRPBZ-UHFFFAOYSA-N
DB00755,302-79-4,Tretinoin,"['approved', 'nutraceutical', 'investigational']","['17124054', '17099008', '2224119', '11874821', '3165295']","['L01XX14', 'D10AD51', 'D10AD01']",D00094,10753,PA164746900,REA,2722,ZINC000012358651,CHEMBL38,31883,VESANOID,15367,444795,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+",SHGAZHPCJJPHSC-YCNIQYBTSA-N
DB00756,70-30-4,Hexachlorophene,"['withdrawn', 'approved']","['894425', '23251633', '397166']",D08AE01,D00859,5293,PA449871,H3P,1364,ZINC000001530968,CHEMBL496,31712,HEXA-GERM,5693,3598,OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl,"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2",ACGUYXCXAPNIKK-UHFFFAOYSA-N
DB00757,115956-12-2,Dolasetron,"['approved', 'investigational']","['9257083', '15740177', '9506240']",A04AA04,,68091,PA449390,,3931,ZINC000103105084,CHEMBL2368925,50451546,DOLASETRON MESYLATE,,,[H][C@@]1(C[C@@]2([H])C[C@]3([H])C[C@@]([H])(C1)N2CC3=O)OC(=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11-,12-,13+,14+",UKTAZPQNNNJVKR-KJGYPYNMSA-N
DB00758,113665-84-2,Clopidogrel,approved,"['28335443', '23116430', '27514617', '20736449', '17352522', '25559342', '24127209', '29474768']",B01AC04,D00769,32968,PA449053,CGE,708,ZINC000034781704,CHEMBL1771,50318910,SR 25990,37941,60606,[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl,"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1",GKTWGGQPFAXNFI-HNNXBMFYSA-N
DB00759,60-54-8,Tetracycline,"['vet_approved', 'approved']",20592239,"['J01AA20', 'J01RA08', 'A01AB13', 'A02BD08', 'A02BD02', 'J01AA07', 'D06AA04', 'S02AA08', 'S01AA09', 'S03AA02']",D00201,10395,PA451640,TAC,2611,ZINC000084441937,CHEMBL1440,50237605,TETREX,27902,,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1",OFVLGDICTFRJMM-WESIUVDSSA-N
DB00760,96036-03-2,Meropenem,"['approved', 'investigational']",,"['J01DH52', 'J01DH02']",D02222,1546029,PA164764445,MEM,1709,ZINC000003808779,CHEMBL127,50129062,SM-7338,43968,441130,[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H],"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1",DMJNNHOOLUXYBV-PQTSNVLCSA-N
DB00761,7447-40-7,Potassium chloride,"['withdrawn', 'approved']",,"['A12BA51', 'A12BA01', 'B05XA01']",D02060,8591,PA451055,,,,CHEMBL1200731,,KAON CL-10,32588,4873,[Cl-].[K+],InChI=1S/ClH.K/h1H;/q;+1/p-1,WCUXLLCKKVVCTQ-UHFFFAOYSA-M
DB00762,97682-44-5,Irinotecan,"['approved', 'investigational']","['19852077', '9342501', '17008691', '15007088']",L01XX19,D08086,51499,PA450085,CP0,1482,ZINC000001612996,CHEMBL481,50128267,IRINOTECAN,80630,60838,CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=C12,"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1",UWKQSNNFCGGAFS-XIFFEERXSA-N
DB00763,60-56-0,Methimazole,approved,"['27615550', '25789213', '30320502', '3830069', '11996015', '9172960', '24622372', '4042519', '24980470', '6546390', '28153798', '23883148', '16885714', '7356900', '10725113', '15745981']","['H03BB52', 'H03BB02']",D00401,6835,PA450422,MMZ,1745,ZINC000001187543,CHEMBL1515,50241361,METHIMAZOLE,50673,1349907,CN1C=CNC1=S,"InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)",PMRYVIKBURPHAH-UHFFFAOYSA-N
DB00764,105102-22-5,Mometasone,experimental,,"['R03AL12', 'R03AK14']",D08227,108118,PA450541,,,ZINC000004097440,CHEMBL1201404,50237628,,6970,441335,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",QLIIKPVHVRXHRI-CXSFZGCWSA-N
DB00765,672-87-7,Metyrosine,approved,,C02KB01,D00762,266604,PA450487,,1792,ZINC000000000693,CHEMBL1200862,,DEMSER,6912,441350,C[C@](N)(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1",NHTGHBARYWONDQ-JTQLQIEISA-N
DB00766,58001-44-8,Clavulanic acid,"['vet_approved', 'approved']","['3765664', '17900874', '6739312', '7137979', '26349821', '18450406', '6511988']",,,21216,PA164742987,J01,669,ZINC000003830569,CHEMBL777,50021959,CLAVULANATE POTASSIUM,48947,5280980,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO,"InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1",HZZVJAQRINQKSD-PBFISZAISA-N
DB00767,63-12-7,Benzquinamide,withdrawn,,,D00243,19041,PA164749018,,331,,CHEMBL1201250,,,27662,2342,CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O,"InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3",JSZILQVIPPROJI-UHFFFAOYSA-N
DB00768,113806-05-6,Olopatadine,approved,"['15646365', '19499962', '20476906', '12046981', '16197656', '30224900']","['S01GX09', 'R01AC08']",,135391,PA450698,,1986,ZINC000000001850,CHEMBL1189432,50002096,PATADAY,,25271818,CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-",JBIMVDZLSHOPLA-LSCVHKIXSA-N
DB00769,76-47-1,Hydrocortamate,approved,,,,,PA164745515,,1387,ZINC000004213506,CHEMBL1201263,,HYDROCORTAMATE,50851,84088,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",FWFVLWGEFDIZMJ-FOMYWIRZSA-N
DB00770,745-65-3,Alprostadil,"['approved', 'investigational']",,"['C01EA01', 'G04BE01']",D00180,598,PA448334,XPG,138,ZINC000003813088,CHEMBL495,50101853,PROSTAGLANDIN E1,15544,5280723,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1",GMVPRGQOIOIIMI-DWKJAMRDSA-N
DB00771,7020-55-5,Clidinium,approved,,A03CA02,,21232,PA164781044,,676,,,,,3743,,C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17-,20?,23+",HOOSGZJRQIVJSZ-NNBUQUNQSA-N
DB00772,121-75-5,Malathion,"['approved', 'investigational']","['74508', '16914134', '17720683']",P03AX03,D00534,6606,PA164748092,,1626,,CHEMBL1200468,85372,MALATHION,141474,4004,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI-UHFFFAOYSA-N
DB00773,33419-42-0,Etoposide,approved,"['11531262', '17578914']",L01CB01,D00125,4179,PA449552,EVP,1112,ZINC000003938684,CHEMBL44657,50127140,VP-16-213,4911,36462,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O,"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1",VJJPUSNTGOMMGY-MRVIYFEKSA-N
DB00774,135-09-1,Hydroflumethiazide,"['withdrawn', 'approved', 'investigational']",19901136,"['C03AB02', 'C03AA02', 'C03AH02', 'G01AE10']",D00654,5495,PA164752557,HFZ,1392,ZINC000000897225,CHEMBL1763,25897,,5784,3647,NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F,"InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)",DMDGGSIALPNSEE-UHFFFAOYSA-N
DB00775,144494-65-5,Tirofiban,approved,,B01AC17,,73137,PA451698,AGG,2680,ZINC000003806104,CHEMBL916,50004058,TIROFIBAN,9605,60947,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O,"InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1",COKMIXFXJJXBQG-NRFANRHFSA-N
DB00776,28721-07-5,Oxcarbazepine,approved,"['26844734', '25063510', '12737829', '21692796', '3765657', '15638774', '10845729', '28842369', '28528287']",N03AF02,D00533,32624,PA450732,,2017,ZINC000000004724,CHEMBL1068,34179,OXTELLAR XR,7824,34312,NC(=O)N1C2=CC=CC=C2CC(=O)C2=C1C=CC=C2,"InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)",CTRLABGOLIVAIY-UHFFFAOYSA-N
DB00777,362-29-8,Propiomazine,approved,,N05CM06,D02361,8770,PA164778685,,2298,,CHEMBL1201210,,,8491,4940,CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1,"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3",UVOIBTBFPOZKGP-UHFFFAOYSA-N
DB00778,80214-83-1,Roxithromycin,"['withdrawn', 'approved', 'investigational']",3323166,J01FA06,D01710,9478,PA164750505,ROX,2410,ZINC000261494713,CHEMBL1476500,,,48844,444037,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",RXZBMPWDPOLZGW-XMRMVWPWSA-N
DB00779,389-08-2,Nalidixic acid,"['approved', 'investigational']",,J01MB02,D00183,7240,PA164746384,NIX,1875,ZINC000000057421,CHEMBL5,21691,NALIDIXATE SODIUM,100147,4421,CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",MHWLWQUZZRMNGJ-UHFFFAOYSA-N
DB00780,51-71-8,Phenelzine,approved,"['1362653', '6456291', '21103169', '3678293', '26721950', '14574774', '19203467', '15462176', '4066998']",N06AF03,D08349,8123,PA450903,,2123,ZINC000019166991,CHEMBL1089,50105417,PHENELZINE,8060,3675,NNCCC1=CC=CC=C1,"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2",RMUCZJUITONUFY-UHFFFAOYSA-N
DB00782,298-50-0,Propantheline,approved,,"['A03AB05', 'A03CA34']",,8761,PA164746224,,2293,ZINC000001530761,CHEMBL1180725,50238663,PROPANTHELINE,8481,4934,CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C,"InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1",VVWYOYDLCMFIEM-UHFFFAOYSA-N
DB00783,50-28-2,Estradiol,"['vet_approved', 'approved', 'investigational']","['11528362', '12117397', '9211678', '10997774', '11792932', '12865317', '8098802', '9793623', '3578450', '9855336', '27093553', '24530924', '17124377', '8530713', '17135036', '22453284', '10843196', '3772905', '17573901', '2292429', '15771632', '28078219', '28093732', '12071379', '7488136']","['G03FB12', 'G03FA01', 'G03FB07', 'G03FB10', 'G03HB01', 'G03FA13', 'G03FB11', 'G03FB08', 'G03EA02', 'G03FA05', 'G03FB06', 'G03FB03', 'G02BB01', 'G03FB01', 'G03FB02', 'G03FA08', 'G03FB04', 'G03EA01', 'G03FA11', 'G03FA03', 'G03FB09', 'G03FB05', 'G03AA14', 'G03FA16', 'G03AB08', 'G03FA10', 'G03FA17', 'G03EA03', 'G03FA04', 'G03FA09', 'G03FA14', 'G03FA07', 'G03FA02', 'G03AA17', 'G03FA12', 'G03CA03', 'G03FA15', 'G03CA53', 'G03FA06']",D00105,4083,PA449503,EST,1057,ZINC000013520815,CHEMBL135,17292,MENOSTAR,16469,5757,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",VOXZDWNPVJITMN-ZBRFXRBCSA-N
DB00784,61-68-7,Mefenamic acid,approved,,M01AG01,D00151,6693,PA450347,ID8,1663,ZINC000000020241,CHEMBL686,50134036,MEFENAMIC ACID,6717,4044,CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",HYYBABOKPJLUIN-UHFFFAOYSA-N
DB00785,1356-18-9,Cryptenamine,approved,,,,42618,PA164749510,,,,,,,,,,,
DB00786,154039-60-8,Marimastat,investigational,,,,,PA164748329,097,,ZINC000001544157,CHEMBL279785,50063917,TA 2516,50662,119031,CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C,"InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1",OCSMOTCMPXTDND-OUAUKWLOSA-N
DB00787,59277-89-3,Acyclovir,approved,"['2828440', '30531673', '22005269', '15605452', '20038622', '2653790', '6342900', '7159465', '16838235']","['D06BB03', 'D06BB53', 'S01AD03', 'J05AB01']",D00222,281,PA448045,AC2,85,ZINC000001530555,CHEMBL184,50103518,SITAVIG,2453,135398513,NC1=NC(=O)C2=C(N1)N(COCCO)C=N2,"InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)",MKUXAQIIEYXACX-UHFFFAOYSA-N
DB00788,22204-53-1,Naproxen,"['vet_approved', 'approved']","['9248768', '9113437', '29020251', '2202585', '29392089', '16187975', '11851641', '30247840', '16968832', '16305588', '16740558']","['G02CC02', 'M01AE56', 'M01AE52', 'M02AA12', 'M01AE02']",D00118,7258,PA450595,NPS,1883,ZINC000000105216,CHEMBL154,50339185,RS-3650,7476,156391,COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",CMWTZPSULFXXJA-VIFPVBQESA-N
DB00789,80529-93-7,Gadopentetic acid,approved,,V08CA01,,1546432,PA164748760,,,,,,,35778,6857474,[Gd+3].OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O,"InChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3",IZOOGPBRAOKZFK-UHFFFAOYSA-K
DB00790,82834-16-0,Perindopril,approved,"['15982858', '15673060', '11309359', '11398915', '15449186', '12076191']","['C10BX15', 'C10BX11', 'C09BX02', 'C10BX13', 'C10BX12', 'C10BX14', 'C09BA04', 'C09BX01', 'C09AA04', 'C09BB04', 'C09BX04']",D03753,54552,PA450877,,2108,ZINC000003812867,CHEMBL1581,50493988,PERINDOPRIL ERBUMINE,8024,107807,[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O,"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1",IPVQLZZIHOAWMC-QXKUPLGCSA-N
DB00791,66-75-1,Uracil mustard,approved,,L01AD08,D06265,10996,PA451830,,2795,ZINC000000002235,CHEMBL1488,,,9884,6194,ClCCN(CCCl)C1=CNC(=O)NC1=O,"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)",IDPUKCWIGUEADI-UHFFFAOYSA-N
DB00792,91-81-6,Tripelennamine,"['vet_approved', 'approved']",,"['R06AC04', 'D04AA04']",,10847,PA164764429,,2762,ZINC000019117728,CHEMBL1241,81471,AZARON,9741,5587,CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",UFLGIAIHIAPJJC-UHFFFAOYSA-N
DB00793,777-11-7,Haloprogin,"['withdrawn', 'approved']","['4608935', '5422306']",D01AE11,D00339,26422,PA164768737,,1355,ZINC000001530649,CHEMBL1289,50194601,,5614,3561,ClC1=CC(Cl)=C(Cl)C=C1OCC#CI,"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2",CTETYYAZBPJBHE-UHFFFAOYSA-N
DB00794,125-33-7,Primidone,"['vet_approved', 'approved']","['24142589', '6655772', '24812533', '29957667', '1523859', '6798720', '14918421', '7107978', '29955442', '24385718']","['N03AA03', 'N05CB01']",D00474,8691,PA451105,,2267,ZINC000000001979,CHEMBL856,50248152,MYSOLINE,8412,4909,CCC1(C(=O)NCNC1=O)C1=CC=CC=C1,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",DQMZLTXERSFNPB-UHFFFAOYSA-N
DB00795,599-79-1,Sulfasalazine,approved,,"['A07EC01', 'G01AE10']",D00448,9524,PA451547,SAS,2525,ZINC000003831490,CHEMBL421,50103596,AZULFIDINE,9334,,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1,"InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+",NCEXYHBECQHGNR-QZQOTICOSA-N
DB00796,145040-37-5,Candesartan cilexetil,approved,"['13678868', '19563275', '19436650']",,D00626,135481,,,475,,CHEMBL1014,50318907,CANDESARTAN CILEXETIL,3348,2540,CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)C(=CC=C2)C(=O)OC(C)OC(=O)OC1CCCCC1,"InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)",GHOSNRCGJFBJIB-UHFFFAOYSA-N
DB00797,59-98-3,Tolazoline,"['vet_approved', 'approved']",,"['M02AX02', 'C04AB02']",,10634,PA451716,,2695,ZINC000000125006,CHEMBL770,55436,,28502,5504,C(C1=NCCN1)C1=CC=CC=C1,"InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)",JIVZKJJQOZQXQB-UHFFFAOYSA-N
DB00798,1403-66-3,Gentamicin,"['vet_approved', 'approved']","['32491482', '1202109', '24216440', '6015651', '20014601', '28940715', '26719956', '15241236', '27252397', '31643557', '30447062', '22554194']","['S03AA06', 'S02AA14', 'S01AA11', 'J01GB03', 'D06AX07']",,1596450,PA449753,,,,CHEMBL3039597,50476074,GENTACIDIN,,9898639,[H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC,"InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m110/s1",NPEFREDMMVQEPL-RWPARATISA-N
DB00799,118292-40-3,Tazarotene,"['approved', 'investigational']",,D05AX05,D01132,83947,PA164746821,,2571,ZINC000001542199,CHEMBL1657,50265951,TAZORAC,32184,5381,CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1,"InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3",OGQICQVSFDPSEI-UHFFFAOYSA-N
DB00800,67227-56-9,Fenoldopam,approved,,C01CA19,D00613,24853,PA164784034,,1153,,CHEMBL588,60917,FENOLDOPAM,5002,3341,OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12,"InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2",TVURRHSHRRELCG-UHFFFAOYSA-N
DB00801,23092-17-3,Halazepam,"['withdrawn', 'illicit', 'approved']","['6152591', '22258993']",N05BA13,D00338,26412,PA164746526,,1348,ZINC000000537811,CHEMBL970,50408018,,5603,31640,FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,"InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2",WYCLKVQLVUQKNZ-UHFFFAOYSA-N
DB00802,71195-58-9,Alfentanil,"['illicit', 'approved']",,N01AH02,D07122,480,PA448084,,114,ZINC000000601281,CHEMBL634,83450,ALFENTANIL HYDROCHLORIDE,2569,51263,CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O,"InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3",IDBPHNDTYPBSNI-UHFFFAOYSA-N
DB00803,1066-17-7,Colistin,approved,,"['J01XB01', 'A07AA10']",D02138,2709,PA164760862,,,,,,,,,CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O,"InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36-,37+,38-,39?,41?,42+/m1/s1",YKQOSKADJPQZHB-BRLOSWAASA-N
DB00804,77-19-0,Dicyclomine,approved,"['14254329', '3597632', '3612532', '9059856']",A03AA07,,3361,PA164744928,,868,ZINC000001530613,CHEMBL1123,50010101,DICYCLOMINE HYDROCHLORIDE,4514,3042,CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1,"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3",CURUTKGFNZGFSE-UHFFFAOYSA-N
DB00805,25905-77-5,Minaprine,approved,,N06AX07,D05039,30031,PA164748351,,1812,ZINC000019796082,CHEMBL278819,50074289,,51038,4199,CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1,"InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)",LDMWSLGGVTVJPG-UHFFFAOYSA-N
DB00806,6493-05-6,Pentoxifylline,"['approved', 'investigational']","['26870389', '23699177', '27347328', '2997628', '19839729', '3958905', '15194011', '29132351', '8826548', '12834807', '9251897', '19997047', '17689696', '25879629', '9394024', '12125034', '10329205', '30818852', '1474168', '23400743', '32715661', '1356929', '28123169', '8135854', '28484954', '8937849', '28034471', '2178853']","['R03DA20', 'C04AD03']",D00501,8013,PA450864,PNX,2099,ZINC000001530776,CHEMBL628,10850,BL-191,7986,4740,CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C,"InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3",BYPFEZZEUUWMEJ-UHFFFAOYSA-N
DB00807,499-67-2,Proparacaine,"['vet_approved', 'approved']",,S01HA04,D08448,34905,PA164776849,,2294,ZINC000001530762,CHEMBL1196,50225500,OPHTHAINE,8485,4935,CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC,"InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",KCLANYCVBBTKTO-UHFFFAOYSA-N
DB00808,26807-65-8,Indapamide,approved,"['10491728', '12878366', '3311532', '25341854', '3395370', '4077233', '6869203', '30422513', '6856486', '6617239', '6489195', '15840731', '19074530', '27048970', '22122387', '20528637', '16556441', '6386023', '29565029']","['C09BX01', 'C03BA11', 'C10BX13', 'G01AE10']",D00345,5764,PA449975,,1433,,CHEMBL406,25901,NATRILIX,5893,3702,CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)",NDDAHWYSQHTHNT-UHFFFAOYSA-N
DB00809,1508-75-4,Tropicamide,"['approved', 'investigational']","['25589275', '31082113', '16700815', '17594079', '8083562']","['S01FA56', 'S01FA06']",D00397,10869,PA164749389,,2774,,CHEMBL1200604,82371,TROPICACYL,9757,5593,CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1,"InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3",BGDKAVGWHJFAGW-UHFFFAOYSA-N
DB00810,514-65-8,Biperiden,"['approved', 'investigational']",8420174,N04AA02,D00779,1589,PA448626,,374,,CHEMBL1101,50240680,BIPERIDEN,3112,2381,OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1,"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2",YSXKPIUOCJLQIE-UHFFFAOYSA-N
DB00811,36791-04-5,Ribavirin,approved,"['21960835', '16123681', '16087250', '25585348', '2546248', '18565019', '16970600', '4340949']",J05AP01,D00423,9344,PA451241,RBV,2373,ZINC000001035331,CHEMBL1643,50154375,RIBAVIRIN TEVA,63580,37542,NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1",IWUCXVSUMQZMFG-AFCXAGJDSA-N
DB00812,50-33-9,Phenylbutazone,"['vet_approved', 'approved']",,"['M01AA01', 'M02AA01', 'M01BA01']",D00510,8160,PA450932,P1Z,2145,ZINC000100004227,CHEMBL101,,AMBENE,48574,4781,CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",VYMDGNCVAMGZFE-UHFFFAOYSA-N
DB00813,437-38-7,Fentanyl,"['vet_approved', 'illicit', 'approved', 'investigational']","['2569731', '14622685', '4420811', '18001263', '22020140', '29183383', '26227254', '25314012', '17617282', '9477048', '23605506', '28980330', '23650968', '10562792']","['N01AH01', 'N02AB03', 'N01AH51']",D00320,4337,PA449599,7V7,1164,ZINC000002522669,CHEMBL596,50008984,INSTANYL,119915,3345,CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3",PJMPHNIQZUBGLI-UHFFFAOYSA-N
DB00814,71125-38-7,Meloxicam,"['vet_approved', 'approved']","['8630630', '24373107', '21508345', '9493314', '23537413', '27026863', '19821429', '30774225']","['M01AC56', 'M01AC06']",D00969,41493,PA450353,MXM,1676,ZINC000013129998,CHEMBL599,50056998,MELOXICAM,6741,54677470,CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O,"InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)",ZRVUJXDFFKFLMG-UHFFFAOYSA-N
DB00815,151-21-3,Sodium lauryl sulfate,experimental,"['10344477', '8811135', '1681644', '9656847', '16679819', '11899262']",,D01045,9871,PA451398,,,,CHEMBL23393,50530482,SODIUM LAURYL SULFATE,8984,3423265,[Na+].CCCCCCCCCCCCOS([O-])(=O)=O,"InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",DBMJMQXJHONAFJ-UHFFFAOYSA-M
DB00816,586-06-1,Orciprenaline,approved,,"['R03AB03', 'R03CB53', 'R03CB03']",D00685,7688,PA450390,,1720,,CHEMBL776,50295572,PROMETA,6792,4086,CC(C)NCC(O)C1=CC(O)=CC(O)=C1,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3",LMOINURANNBYCM-UHFFFAOYSA-N
DB00817,40034-42-2,Rosoxacin,"['approved', 'investigational']",,J01MB01,D02305,35797,PA164776843,,83,ZINC000000002042,CHEMBL291157,,,131715,287180,CCN1C=C(C(O)=O)C(=O)C2=C1C=C(C=C2)C1=CC=NC=C1,"InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)",XBPZXDSZHPDXQU-UHFFFAOYSA-N
DB00818,2078-54-8,Propofol,"['vet_approved', 'approved', 'investigational']","['18298873', '18326136', '12904852']",N01AX10,D00549,8782,PA451141,PFL,2302,ZINC000000968303,CHEMBL526,50058046,PROPOFOL,44915,4943,CC(C)C1=CC=CC(C(C)C)=C1O,"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3",OLBCVFGFOZPWHH-UHFFFAOYSA-N
DB00819,59-66-5,Acetazolamide,"['vet_approved', 'approved']",30335315,"['G01AE10', 'S01EC01']",D00218,167,PA448018,AZM,56,ZINC000003813042,CHEMBL20,10880,ACETAZOLAMIDE SODIUM,27690,1986,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",BZKPWHYZMXOIDC-UHFFFAOYSA-N
DB00820,171596-29-5,Tadalafil,"['approved', 'investigational']","['21762988', '30901259', '29667180', '27188339', '16487221', '19146377']","['G04BE08', 'G04CA54', 'C02KX52']",D02008,358263,PA10333,CIA,2553,ZINC000003993855,CHEMBL779,14777,IC-351,71940,110635,[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1",WOXKDUGGOYFFRN-IIBYNOLFSA-N
DB00821,53716-49-7,Carprofen,"['withdrawn', 'vet_approved', 'approved']",,,,20343,PA164781361,,518,,CHEMBL1316,50097346,,364453,2581,CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1,"InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)",PUXBGTOOZJQSKH-UHFFFAOYSA-N
DB00822,97-77-8,Disulfiram,approved,"['10052908', '9624499', '19720750']","['P03AA04', 'P03AA54', 'N07BB01']",D00131,3554,PA449376,,928,ZINC000001529266,CHEMBL964,50058655,DISULFIRAM,4659,3117,CCN(CC)C(=S)SSC(=S)N(CC)CC,"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",AUZONCFQVSMFAP-UHFFFAOYSA-N
DB00823,297-76-7,Ethynodiol diacetate,approved,,,D01294,4170,PA164749157,,1095,ZINC000003876023,CHEMBL1200624,50237627,ETHYNODIOL DIACETATE,31580,9270,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H],"InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1",ONKUMRGIYFNPJW-KIEAKMPYSA-N
DB00824,41078-02-8,Enprofylline,"['experimental', 'approved']",,,D04006,,PA164749350,,1015,ZINC000000403567,CHEMBL279898,50001493,,126237,1676,CCCN1C2=C(NC=N2)C(=O)NC1=O,"InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)",SIQPXVQCUCHWDI-UHFFFAOYSA-N
DB00825,2216-51-5,Levomenthol,approved,,,D00064,236388,PA164776605,,,ZINC000001482164,CHEMBL470670,50318482,MENTHOL,15409,16666,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1",NOOLISFMXDJSKH-KXUCPTDWSA-N
DB00826,7681-93-8,Natamycin,approved,,"['A07AA03', 'A01AB10', 'D01AA02', 'G01AA02', 'S01AA10']",D00884,7268,PA164744325,,1885,ZINC000008220909,CHEMBL1200656,50370755,PIMARICIN,7488,5284447,[H][C@@]12C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(O)=O)[C@]([H])(C[C@@H](O[C@]4([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C[C@@H](C)OC(=O)\C=C\[C@@]1([H])O2)O3,"InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1",NCXMLFZGDNKEPB-FFPOYIOWSA-N
DB00827,28657-80-9,Cinoxacin,"['withdrawn', 'approved', 'investigational']",,J01MB06,D00872,2550,PA449007,,657,ZINC000000032350,CHEMBL1208,39350,CINOXACIN,3716,2762,CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12,"InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)",VDUWPHTZYNWKRN-UHFFFAOYSA-N
DB00828,23155-02-4,Fosfomycin,approved,"['18444827', '31131588', '21914036', '28630194', '26960938', '31131587', '30765904', '31131589', '15771570']",J01XX01,D04253,4550,PA164748039,FCN,1243,ZINC000001530427,CHEMBL1757,50024894,FOSFOMYCIN TROMETHAMINE,28915,446987,C[C@@H]1O[C@@H]1P(O)(O)=O,"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1",YMDXZJFXQJVXBF-STHAYSLISA-N
DB00829,439-14-5,Diazepam,"['vet_approved', 'illicit', 'approved', 'investigational']","['458601', '3089825', '2450203', '7911332', '11995921']",N05BA01,D00293,3322,PA449283,DZP,852,ZINC000000006427,CHEMBL12,50000766,VALRELEASE,49575,3016,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",AAOVKJBEBIDNHE-UHFFFAOYSA-N
DB00830,134-49-6,Phenmetrazine,"['illicit', 'approved']",,,,8133,PA164747188,,2133,,CHEMBL1201208,,,8067,4762,CC1NCCOC1C1=CC=CC=C1,"InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",OOBHFESNSZDWIU-UHFFFAOYSA-N
DB00831,117-89-5,Trifluoperazine,"['approved', 'investigational']",,N05AB06,D08636,10800,PA451771,TFP,2740,ZINC000019418959,CHEMBL422,79181,TRIFLUOPERAZINE,45951,5566,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3",ZEWQUBUPAILYHI-UHFFFAOYSA-N
DB00832,86-34-0,Phensuximide,approved,"['38736', '14020499', '3772011']",N03AD02,D00508,33309,PA164771230,,2139,,CHEMBL797,50240063,,8079,6839,CN1C(=O)CC(C1=O)C1=CC=CC=C1,"InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3",WLWFNJKHKGIJNW-UHFFFAOYSA-N
DB00833,53994-73-3,Cefaclor,approved,"['1456417', '1802903']",J01DC04,D00256,1450910,PA164749137,,525,ZINC000003812869,CHEMBL680,42131,CEFACLOR,3478,7048572,[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1",QYIYFLOTGYLRGG-GPCCPHFNSA-N
DB00834,84371-65-3,Mifepristone,"['approved', 'investigational']","['16781264', '14698075', '9562577', '14698071', '19587339', '15790602']","['G03XB51', 'G03XB01']",D00585,6964,PA450500,486,1805,ZINC000003831128,CHEMBL1276308,18627,MIFEPRISTONE,50692,55245,[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1",VKHAHZOOUSRJNA-GCNJZUOMSA-N
DB00835,86-22-6,Brompheniramine,approved,,"['R06AB01', 'R06AB51']",D07543,1767,PA448675,,408,,CHEMBL811,50017666,BROMPHENIRAMINE MALEATE,3183,6834,CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",ZDIGNSYAACHWNL-UHFFFAOYSA-N
DB00836,53179-11-6,Loperamide,approved,,"['A07DA03', 'A07DA53']",D08144,6468,PA450262,,1599,ZINC000000537928,CHEMBL841,50017698,IMODIUM,6532,3955,CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3",RDOIQAHITMMDAJ-UHFFFAOYSA-N
DB00837,62666-20-0,Progabide,experimental,3030072,N03AG05,D05621,34568,PA164747990,,2278,,,,,135422,44115,NC(=O)CCC\N=C(\C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1,"InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)/b21-17-",IBALRBWGSVJPAP-FXBPSFAMSA-N
DB00838,4828-27-7,Clocortolone,approved,,D07AB21,D07719,21249,PA164744013,,,ZINC000021981454,,,,59582,5311052,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",YMTMADLUXIRMGX-RFPWEZLHSA-N
DB00839,1156-19-0,Tolazamide,"['approved', 'investigational']","['15901207', '8237731']",A10BB05,D00379,10633,PA164774902,,2694,ZINC000000057512,CHEMBL817,50240099,TOLINASE,9613,5503,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1,"InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)",OUDSBRTVNLOZBN-UHFFFAOYSA-N
DB00840,9004-64-2,Hydroxypropyl cellulose,approved,"['20847657', '21178699', '20858108']",,D01536,27291,PA164746492,,,,,,,,,,,
DB00841,34368-04-2,Dobutamine,approved,,C01CA07,D03879,3616,PA449381,,937,,CHEMBL926,50325274,DOBUTAMINE LACTOBIONATE,4670,36811,CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3",JRWZLRBJNMZMFE-UHFFFAOYSA-N
DB00842,604-75-1,Oxazepam,approved,"['1349754', '29950725', '8700792', '23789008', '6133535', '24552479', '23330992', '6135616', '851373', '23038269', '21671987', '2570451']",N05BA04,D00464,7781,PA450731,,2015,,CHEMBL568,85031,OXAZEPAM,7823,4616,OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",ADIMAYPTOBDMTL-UHFFFAOYSA-N
DB00843,120014-06-4,Donepezil,approved,"['12105320', '12805474', '15948662', '27199640', '27252988', '20061647', '20718745', '29768996', '25652642', '30497964', '16863459', '24785550', '9839761', '9839758', '25133184', '11893059', '20153342']","['N06DA52', 'N06DA02', 'N06DA53']",D00670,135447,PA449394,,946,,CHEMBL502,8960,ARICEPT,145499,3152,COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3",ADEBPBSSDYVVLD-UHFFFAOYSA-N
DB00844,20594-83-6,Nalbuphine,approved,10534607,N02AF02,D08246,7238,PA164745372,,1874,ZINC000003812989,CHEMBL895,50105085,NALBUPHINE,7454,5311304,O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5,"InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1",NETZHAKZCGBWSS-CEDHKZHLSA-N
DB00845,2030-63-9,Clofazimine,"['approved', 'investigational']","['31371410', '6120809', '26682943', '22020137']",J04BA01,D00278,2592,PA164748759,,692,ZINC000253916263,,,,3749,2794,CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1,"InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+",WDQPAMHFFCXSNU-BGABXYSRSA-N
DB00846,1524-88-5,Flurandrenolide,approved,,"['D07AC07', 'D07CC03']",D00328,4500,PA164750513,,1217,ZINC000004097308,CHEMBL1201012,50240003,CORDRAN,5127,15209,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,"InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",POPFMWWJOGLOIF-XWCQMRHXSA-N
DB00847,60-23-1,Cysteamine,"['approved', 'investigational']","['23113697', '22554716', '23416144', '27153825', '20716238', '22205430', '19775699', '27102039']","['A16AA04', 'S01XA21']",D03634,3022,PA449171,DHL,768,ZINC000008034121,CHEMBL602,7968,RP-103,17141,6058,NCCS,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2",UFULAYFCSOUIOV-UHFFFAOYSA-N
DB00848,14769-73-4,Levamisole,"['withdrawn', 'vet_approved', 'approved', 'investigational']","['22677078', '28314885', '6169', '1675705', '6203228', '15109274']",P02CE01,D08114,6371,PA450205,,1561,ZINC000000119839,CHEMBL1454,50241179,LEVAMISOLE,6432,26879,C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1,"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1",HLFSDGLLUJUHTE-SNVBAGLBSA-N
DB00849,115-38-8,Methylphenobarbital,approved,,"['N03AA01', 'N05CB01']",D00700,6758,PA450374,,1696,,CHEMBL45029,,,6758,8271,CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1,"InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)",ALARQZQTBTVLJV-UHFFFAOYSA-N
DB00850,58-39-9,Perphenazine,approved,,N05AB03,D00503,8076,PA450882,,2113,ZINC000019228902,CHEMBL567,50130273,PERPHENAZINE,8028,4748,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2",RGCVKNLCSQQDEP-UHFFFAOYSA-N
DB00851,4342-03-4,Dacarbazine,"['approved', 'investigational']",,L01AX04,D00288,3098,PA449197,,773,ZINC000100019007,CHEMBL476,50238687,NSC-45388,177836,135398738,CN(C)\N=N\C1=C(N=CN1)C(N)=O,"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+",FDKXTQMXEQVLRF-ZHACJKMWSA-N
DB00852,90-82-4,Pseudoephedrine,approved,"['15189772', '1880721', '30391401', '13539766', '14570629', '7507588', '29713098', '21631396', '12373557']","['R01BA52', 'R01BA02']",D08449,8896,PA451170,,2326,ZINC000000020259,CHEMBL1590,,PSEUDOEPHEDRINE HYDROCHLORIDE,51209,7028,CN[C@@H](C)[C@@H](O)C1=CC=CC=C1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1",KWGRBVOPPLSCSI-WCBMZHEXSA-N
DB00853,85622-93-1,Temozolomide,"['approved', 'investigational']","['29733389', '22122467', '8049205', '18772354', '19435405', '20564393', '16925485', '26948367', '28159862', '10037179', '29852323', '19543728', '20455691', '32659914', '10866347', '10914698']",L01AX03,D06067,37776,PA451609,,2589,ZINC000001482184,CHEMBL810,50034562,NSC-362856,72564,5394,CN1N=NC2=C(N=CN2C1=O)C(N)=O,"InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)",BPEGJWRSRHCHSN-UHFFFAOYSA-N
DB00854,77-07-6,Levorphanol,approved,,,D08123,6378,PA164744368,,1574,ZINC000003812984,CHEMBL592,82427,LEVORPHANOL,6444,5359272,[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1",JAQUASYNZVUNQP-USXIJHARSA-N
DB00855,106-60-5,Aminolevulinic acid,approved,"['16648043', '9612195']",L01XD04,,155002,PA10015,FVT,166,ZINC000003782550,CHEMBL601,50240386,AMINOLEVULINIC ACID HYDROCHLORIDE,356416,7048523,NCC(=O)CCC(O)=O,"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)",ZGXJTSGNIOSYLO-UHFFFAOYSA-N
DB00856,104-29-0,Chlorphenesin,"['experimental', 'approved']","['4105542', '3074423', '6503049']",D01AE07,,2399,PA164784022,,,,CHEMBL388751,,,3642,7697,OCC(O)COC1=CC=C(Cl)C=C1,"InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2",MXOAEAUPQDYUQM-UHFFFAOYSA-N
DB00857,91161-71-6,Terbinafine,"['vet_approved', 'approved', 'investigational']","['10460803', '1419761', '2689012', '17041143', '1543672', '12477372', '1287164']","['D01BA02', 'D01AE15']",D02375,37801,PA451614,,2597,ZINC000001530981,CHEMBL822,50018518,SF 86-327,9448,1549008,CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12,"InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+",DOMXUEMWDBAQBQ-WEVVVXLNSA-N
DB00858,58-19-5,Drostanolone,illicit,,,,23678,PA164760855,,,ZINC000003875387,CHEMBL1582,,,34838,6011,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C,"InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1",IKXILDNPCZPPRV-RFMGOVQKSA-N
DB00859,52-67-5,Penicillamine,approved,"['9117147', '12889074', '15495127', '10796440', '13362281']",M01CC01,D00496,7975,PA450840,LEI,2081,ZINC000000114127,CHEMBL1430,50217941,PARGONYL,7959,5852,[H][C@](N)(C(O)=O)C(C)(C)S,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1",VVNCNSJFMMFHPL-VKHMYHEASA-N
DB00860,50-24-8,Prednisolone,"['vet_approved', 'approved']","['3350994', '378499', '30285357', '25800201', '27789930']","['A07EA01', 'S01CB02', 'R01AD52', 'C05AA04', 'D07AA03', 'D07XA02', 'A01AC54', 'D07BA01', 'S01CA02', 'S02BA03', 'S03CA02', 'R01AD02', 'S01BA04', 'S03BA02', 'H02AB06', 'S01BB02', 'V03AB05', 'D07CA03', 'S02CA01']",D00472,8638,PA451096,TUA,2245,ZINC000003833821,CHEMBL131,19190,DELTA-CORTEF,8378,5755,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",OIGNJSKKLXVSLS-VWUMJDOOSA-N
DB00861,22494-42-4,Diflunisal,"['approved', 'investigational']",,N02BA11,D00130,3393,PA449313,1FL,880,ZINC000000020243,CHEMBL898,50240510,DIFLUNISAL,39669,3059,OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1,"InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)",HUPFGZXOMWLGNK-UHFFFAOYSA-N
DB00862,224785-90-4,Vardenafil,approved,,G04BE09,D08668,306674,PA10229,VDN,2809,ZINC000018324776,CHEMBL1520,14776,VARDENAFIL HYDROCHLORIDE,46295,135400189,CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1,"InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)",SECKRCOLJRRGGV-UHFFFAOYSA-N
DB00863,66357-35-5,Ranitidine,"['withdrawn', 'approved']","['3307670', '25133039', '27083385', '2667937', '16341949', '6323334', '17688076', '6329583']","['A02BA07', 'A02BA02']",D00422,9143,PA451224,,2358,,CHEMBL1790041,,RANITIDINE BISMUTH CITRATE,92246,5039,CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O,"InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3",VMXUWOKSQNHOCA-UHFFFAOYSA-N
DB00864,104987-11-3,Tacrolimus,"['approved', 'investigational']","['15896681', '17965516', '16021174', '1715244', '16702731', '2445721']","['D11AH01', 'L04AD02']",D00107,235991,PA451578,FK5,2552,ZINC000169289411,CHEMBL269732,50030448,FK506,61049,445643,CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",QJJXYPPXXYFBGM-LFZNUXCKSA-N
DB00865,156-08-1,Benzphetamine,"['illicit', 'approved']",,,,1422,PA448586,,329,ZINC000000968305,CHEMBL3545985,,,3044,5311017,C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1,"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1",YXKTVDFXDRQTKV-HNNXBMFYSA-N
DB00866,13655-52-2,Alprenolol,"['withdrawn', 'experimental']","['8586675', '15525']",C07AA01,D07156,597,PA164750541,,137,,CHEMBL266195,25764,,51211,2119,CC(C)NCC(O)COC1=CC=CC=C1CC=C,"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3",PAZJSJFMUHDSTF-UHFFFAOYSA-N
DB00867,26652-09-5,Ritodrine,"['approved', 'investigational']",,G02CA01,D02359,9392,PA451258,,2390,ZINC000000057483,CHEMBL489553,50493311,,156577,688570,C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m1/s1",IOVGROKTTNBUGK-SJKOYZFVSA-N
DB00868,104-31-4,Benzonatate,approved,"['24648790', '28334901', '19121573', '22958367', '31129533', '23258970']",R05DB01,D00242,18993,PA164745459,,,ZINC000003830276,CHEMBL1374379,50240086,TESSALON PERLES,3032,7699,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,"InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3",MAFMQEKGGFWBAB-UHFFFAOYSA-N
DB00869,120279-96-1,Dorzolamide,approved,"['22269010', '9143858', '7895610', '12658557', '11929320']","['S01EC03', 'G01AE10']",D07871,60207,PA164748765,ETS,949,ZINC000001530621,CHEMBL218490,10884,TRUSOPT,4702,5284549,CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1",IAVUPMFITXYVAF-XPUUQOCRSA-N
DB00870,40828-46-4,Suprofen,"['withdrawn', 'approved']",,M01AE07,D00452,10255,PA451569,,2546,,CHEMBL956,50090676,,9362,5359,CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1,"InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)",MDKGKXOCJGEUJW-UHFFFAOYSA-N
DB00871,23031-25-6,Terbutaline,approved,"['1358833', '22454899', '6586478', '32862146', '2062329', '4396185', '6586475', '14610225', '4911261', '30285350', '7793711', '6586491']","['R03CC03', 'R03AC03', 'R03CC53']",,10368,PA451616,,2598,,CHEMBL1760,25770,KWD-2019,9449,5403,CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",XWTYSIMOBUGWOL-UHFFFAOYSA-N
DB00872,210101-16-9,Conivaptan,"['approved', 'investigational']","['17919259', '19695403', '20054444']",C03XA02,D07748,302285,PA164742939,,,ZINC000012503187,CHEMBL1755,85095,CONIVAPTAN,681850,151171,CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1,"InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)",IKENVDNFQMCRTR-UHFFFAOYSA-N
DB14596,82034-46-6,Loteprednol etabonate,approved,"['1959381', '18245274', '28017774', '1491342']",,D01689,,PA164764569,,1611,ZINC000003920673,CHEMBL1200865,50248301,EYSUVIS,31784,444025,[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1",DMKSVUSAATWOCU-HROMYWEYSA-N
DB00874,93-14-1,Guaifenesin,"['vet_approved', 'approved', 'investigational']","['29238574', '26632082', '19166957', '23825891', '15842963']",R05CA03,D00337,5032,PA449818,,1336,,CHEMBL980,50240098,MUCINEX,5551,3516,COC1=CC=CC=C1OCC(O)CO,"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3",HSRJKNPTNIJEKV-UHFFFAOYSA-N
DB00875,2709-56-0,Flupentixol,"['withdrawn', 'approved', 'investigational']","['31337981', '15309042', '24915451', '6798610', '16198197', '25586400', '1355300', '6674820', '17111172', '11171942']",N05AF01,D01044,4495,PA10268,,1211,ZINC000029489118,CHEMBL54661,79172,FLUPENTIXOL,10454,5281881,[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F,"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-",NJMYODHXAKYRHW-DVZOWYKESA-N
DB00876,133040-01-4,Eprosartan,approved,"['12184062', '18093407', '12766389', '12517247', '18855637', '11800061']","['C09CA02', 'C09DA02']",D04040,83515,PA449481,,1037,ZINC000029319828,CHEMBL813,50011977,TEVETEN,4814,5281037,CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O,"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+",OROAFUQRIXKEMV-LDADJPATSA-N
DB00877,53123-88-9,Sirolimus,"['approved', 'investigational']","['25188522', '16103051', '12742462', '24508508', '11863212', '15859902', '15365568']","['S01XA23', 'L04AA10']",D00753,35302,PA451365,RAP,2446,ZINC000169289388,CHEMBL413,36609,RAPAMYCIN,9168,5284616,[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",QFJCIRLUMZQUOT-HPLJOQBZSA-N
DB00878,55-56-1,Chlorhexidine,"['vet_approved', 'approved']","['12902270', '1335944', '25912596', '18714617', '2363891', '26361890', '19220510', '4269593', '1520091']","['B05CA02', 'D08AC52', 'R02AA05', 'D09AA12', 'S03AA04', 'A01AB03', 'D08AC02', 'S01AX09', 'S02AA09']",D07668,2358,PA164776863,,597,ZINC000014768621,CHEMBL790,50170723,CHLORHEXIDINE,3614,9552079,ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)",GHXZTYHSJHQHIJ-UHFFFAOYSA-N
DB00879,143491-57-0,Emtricitabine,"['approved', 'investigational']","['28737291', '24492366', '8868002']","['J05AR03', 'J05AR06', 'J05AR22', 'J05AR20', 'J05AR09', 'J05AR17', 'J05AF09', 'J05AR18', 'J05AR08', 'J05AR19']",D01199,276237,PA10069,ETV,1003,ZINC000003629271,CHEMBL885,50107843,524W91,31536,60877,NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1,"InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1",XQSPYNMVSIKCOC-NTSWFWBYSA-N
DB00880,58-94-6,Chlorothiazide,"['vet_approved', 'approved']",,"['C03AA04', 'C03AH01', 'C03AB04', 'G01AE10']",D00519,2396,PA448953,,609,ZINC000003872055,CHEMBL842,39351,CHLOROTHIAZIDE,3640,2720,NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1,"InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)",JBMKAUGHUNFTOL-UHFFFAOYSA-N
DB00881,85441-61-8,Quinapril,"['approved', 'investigational']","['14747423', '8891468', '2539761', '19761414', '29667175']","['C09BA06', 'C09AA06']",D03752,35208,PA451205,,2340,ZINC000003801163,CHEMBL1592,50368166,QUINAPRIL HYDROCHLORIDE,8713,40466957,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O,"InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1",JSDRRTOADPPCHY-HSQYWUDLSA-N
DB00882,911-45-5,Clomifene,"['approved', 'investigational']","['1906682', '20091498', '18320435', '19821295', '17055820', '15878925', '7710399', '14585326']",G03GB02,D07726,2596,PA449046,,700,,CHEMBL2355051,,CLOMID,3752,2800,CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3",GKIRPKYJQBWNGO-UHFFFAOYSA-N
DB00883,87-33-2,Isosorbide dinitrate,"['approved', 'investigational']",,"['C01DA58', 'C05AE02', 'C01DA08']",D00516,6058,PA450125,,1505,ZINC000018089317,CHEMBL6622,,DILATRATE,6061,6883,[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O,"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1",MOYKHGMNXAOIAT-JGWLITMVSA-N
DB00884,105462-24-6,Risedronic acid,"['approved', 'investigational']","['30650219', '18214569']","['M05BB07', 'M05BB02', 'M05BA07', 'M05BB04']",D08484,55685,PA451255,RIS,2387,ZINC000001531009,CHEMBL923,12576,RISEDRONIC ACID,8869,44400168,OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)",IIDJRNMFWXDHID-UHFFFAOYSA-N
DB00885,69372-19-6,Pemirolast,"['approved', 'investigational']",1994787,,D01088,19551,PA164781018,,2074,ZINC000005783214,CHEMBL1201198,50323686,PEMIROLAST,134936,57697,CC1=CC=CN2C(=O)C(=CN=C12)C1=NNN=N1,"InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)",HIANJWSAHKJQTH-UHFFFAOYSA-N
DB00886,167305-00-2,Omapatrilat,investigational,17343842,,D01970,,,FT8,1989,ZINC000003809801,CHEMBL289556,50073120,,135660,656629,[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1",LVRLSYPNFFBYCZ-VGWMRTNUSA-N
DB00887,28395-03-1,Bumetanide,approved,,"['C03CA02', 'C03CB02', 'G01AE10', 'C03EB02']",D00247,1808,PA448682,,427,ZINC000003813061,CHEMBL1072,25903,BUMEX,3213,2471,CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O,"InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)",MAEIEVLCKWDQJH-UHFFFAOYSA-N
DB00888,51-75-2,Mechlorethamine,"['approved', 'investigational']",,L01AA05,D07671,6674,PA450336,,1647,ZINC000002539484,CHEMBL427,200297,CHLORMETHINE HYDROCHLORIDE,28925,4033,CN(CCCl)CCCl,"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3",HAWPXGHAZFHHAD-UHFFFAOYSA-N
DB00889,109889-09-0,Granisetron,"['approved', 'investigational']","['15740177', '16044252', '12943486']",A04AA02,D04370,26237,PA449809,CWB,1329,ZINC000100018854,CHEMBL1290003,50443668,,5537,,CN1N=C(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)C2=C1C=CC=C2,"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-",MFWNKCLOYSRHCJ-BTTYYORXSA-N
DB00890,13029-44-2,Dienestrol,"['approved', 'investigational']",,"['G03CB01', 'G03CC02']",D00898,3368,PA164745534,,,ZINC000000001283,CHEMBL1018,40491,,,667476,[H]\C(C)=C(/C(=C(\[H])C)/C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1,"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+",NFDFQCUYFHCNBW-SCGPFSFSSA-N
DB00891,144-83-2,Sulfapyridine,approved,,"['J01EB04', 'G01AE10']",D02434,10188,PA164779050,SFY,2524,ZINC000000002105,CHEMBL700,39340,SULFAPYRIDINE,132842,5336,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",GECHUMIMRBOMGK-UHFFFAOYSA-N
DB00892,99-43-4,Oxybuprocaine,"['approved', 'investigational']",,"['D04AB03', 'S01HA02']",D08319,18889,PA164764617,,3016,ZINC000002019492,CHEMBL1200,50225499,BENOXINATE HYDROCHLORIDE,309594,4633,CCCCOC1=CC(=CC=C1N)C(=O)OCCN(CC)CC,"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3",CMHHMUWAYWTMGS-UHFFFAOYSA-N
DB00893,9004-66-4,Iron Dextran,"['vet_approved', 'approved']",,,D02141,5992,PA164764618,,,,,,,,,,,
DB00894,968-93-4,Testolactone,"['approved', 'investigational']",,,D00153,10378,PA164743056,,2606,ZINC000004081771,CHEMBL1571,50367848,SQ 9538,9460,13769,[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H],"InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1",BPEWUONYVDABNZ-DZBHQSCQSA-N
DB00895,31855-75-1,Benzylpenicilloyl polylysine,approved,,J01CR50,,19079,PA164754810,,,,,,,,45266800,,"InChI=1S/C22H32N4O6S.C6H14N2O2/c1-22(2)17(21(31)32)26-19(33-22)16(25-15(27)12-13-8-4-3-5-9-13)18(28)24-11-7-6-10-14(23)20(29)30;7-4-2-1-3-5(8)6(9)10/h3-5,8-9,14,16-17,19,26H,6-7,10-12,23H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H,31,32);5H,1-4,7-8H2,(H,9,10)/t14-,16?,17+,19-;5-/m11/s1",IMPVZRLKKKXMKQ-SGDOCVTFSA-N
DB00896,49697-38-3,Rimexolone,approved,,"['H02AB12', 'S01BA13']",D05729,55681,PA164752251,,2384,ZINC000003945984,CHEMBL1200617,50103606,RIMEXOLONE,135566,5311412,[H][C@@]12C[C@@H](C)[C@](C)(C(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1",QTTRZHGPGKRAFB-OOKHYKNYSA-N
DB00897,28911-01-5,Triazolam,"['approved', 'investigational']","['17287588', '15037809', '2773144', '2883820', '2570451']",N05CD05,D00387,10767,PA451753,,2729,ZINC000000002212,CHEMBL646,50001765,HALCION,9674,5556,CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",JOFWLTCLBGQGBO-UHFFFAOYSA-N
DB00898,64-17-5,Ethanol,approved,"['15301401', '7945890', '12216995', '9880479', '17128954']","['V03AB16', 'V03AZ01', 'D08AX08']",D00068,448,PA448073,EOH,1076,,CHEMBL545,,ETHANOL,16236,702,CCO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",LFQSCWFLJHTTHZ-UHFFFAOYSA-N
DB00899,132875-61-7,Remifentanil,approved,,N01AH06,D08473,73032,PA451232,,2363,ZINC000000538283,CHEMBL1005,,GI 87084B,8802,60815,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC,"InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3",ZTVQQQVZCWLTDF-UHFFFAOYSA-N
DB00900,69655-05-6,Didanosine,approved,,J05AF02,D00296,3364,PA449301,2DI,869,ZINC000013597823,CHEMBL1460,50404252,DIDANOSINE,490877,135398739,OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1",BXZVVICBKDXVGW-NKWVEPMBSA-N
DB00901,30392-40-6,Bitolterol,withdrawn,"['3278878', '8564625', '10155050', '8129213']",R03AC17,D07534,19499,PA448644,,384,,CHEMBL1201295,,,3133,35330,CC1=CC=C(C=C1)C(=O)OC1=C(OC(=O)C2=CC=C(C)C=C2)C=C(C=C1)C(O)CNC(C)(C)C,"InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3",FZGVEKPRDOIXJY-UHFFFAOYSA-N
DB00902,1982-37-2,Methdilazine,approved,"['2905130', '9700532', '15782943']",R06AD04,D04979,29648,PA164743018,,1742,,CHEMBL1200959,81470,,6823,14677,CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1,"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3",HTMIBDQKFHUPSX-UHFFFAOYSA-N
DB00903,58-54-8,Etacrynic acid,"['approved', 'investigational']",,C03CC01,D00313,4109,PA449518,EAA,1071,ZINC000000001382,CHEMBL456,50186231,ETHACRYNIC ACID,4876,3278,CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1,"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)",AVOLMBLBETYQHX-UHFFFAOYSA-N
DB00904,99614-02-5,Ondansetron,approved,"['11919526', '15740177', '9506240', '7586904', '19758398']",A04AA01,D00456,26225,PA450705,S87,1992,,CHEMBL46,85330,GR-38032F,7773,4595,CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2,"InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3",FELGMEQIXOGIFQ-UHFFFAOYSA-N
DB00905,155206-00-1,Bimatoprost,"['approved', 'investigational']","['12027782', '11434937', '16808680', '18452763', '20463804', '29854658', '17721551', '15350319', '16567279', '16804825', '11434936', '19874254']",S01EE03,D02724,283810,PA164748867,15M,371,ZINC000004474405,CHEMBL1200963,220120,AGN 192024,51230,5311027,CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1,"InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1",AQOKCDNYWBIDND-FTOWTWDKSA-N
DB00906,115103-54-3,Tiagabine,"['approved', 'investigational']",,N03AG06,,31914,PA451682,,2648,ZINC000003831531,CHEMBL1027,50039251,GABITRIL,9586,40467242,CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1,"InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1",PBJUNZJWGZTSKL-MRXNPFEDSA-N
DB00907,50-36-2,Cocaine,"['illicit', 'approved']","['3940302', '12865893', '15967985', '10983846', '15262059']","['S02DA02', 'R02AD03', 'N01BC01', 'S01HA01']",D00110,2653,PA449072,COC,723,ZINC000003875336,CHEMBL370805,22418,RX-0041,27958,446220,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1",ZPUCINDJVBIVPJ-LJISPDSOSA-N
DB00908,56-54-2,Quinidine,"['approved', 'investigational']",,"['C01BA71', 'C01BA51', 'C01BA01']",D08458,9068,PA451209,QDN,2346,ZINC000003831405,CHEMBL1294,50121975,DURAQUIN,28593,441074,[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1",LOUPRKONTZGTKE-LHHVKLHASA-N
DB00909,68291-97-4,Zonisamide,"['approved', 'investigational']","['15511691', '11755227', '14704463', '18782051', '20001433', '12941455', '18433351', '7686468', '12684361', '15140322']","['N03AX15', 'G01AE10']",D00538,39998,PA451978,ZON,2872,ZINC000000004321,CHEMBL750,50028010,AD-810,10127,11967800,NS(=O)(=O)CC1=NOC2=CC=CC=C12,"InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)",UBQNRHZMVUUOMG-UHFFFAOYSA-N
DB00910,131918-61-1,Paricalcitol,"['approved', 'investigational']",,H05BX02,D00930,73710,PA450798,,2066,ZINC000013911941,CHEMBL1200622,233195,COMPOUND 49510,7931,5281104,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(C)(C)O,"InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1",BPKAHTKRCLCHEA-UBFJEZKGSA-N
DB00911,19387-91-8,Tinidazole,"['approved', 'investigational']","['18582545', '16507373']","['J01RA13', 'P01AB02', 'A02BD09', 'J01RA11', 'G01AF20', 'J01XD02']",D01426,10612,PA10813,,2671,ZINC000000113446,CHEMBL1220,50248360,FASIGYN,63627,5479,CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O,"InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3",HJLSLZFTEKNLFI-UHFFFAOYSA-N
DB00912,135062-02-1,Repaglinide,"['approved', 'investigational']",11060717,"['A10BD14', 'A10BX02']",D00594,73044,PA451234,BJX,2366,ZINC000003798537,CHEMBL1272,50153520,REPAGLINIDE,8805,65981,CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O,"InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1",FAEKWTJYAYMJKF-QHCPKHFHSA-N
DB00913,144-14-9,Anileridine,"['illicit', 'approved']",,N01AH05,D02941,17933,PA164768817,,220,ZINC000000608179,CHEMBL1201347,,,61203,8944,CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1,"InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3",LKYQLAWMNBFNJT-UHFFFAOYSA-N
DB00914,114-86-3,Phenformin,"['withdrawn', 'approved', 'investigational']","['9418116', '9230023']","['A10BD01', 'A10BA01']",D08351,8129,PA1000,8CV,2126,ZINC000005851063,CHEMBL170988,50237608,PHENFORMIN,8064,8249,NC(=N)NC(=N)NCCC1=CC=CC=C1,"InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)",ICFJFFQQTFMIBG-UHFFFAOYSA-N
DB00915,768-94-5,Amantadine,approved,,N04BB01,,620,PA448360,,144,ZINC000000968256,CHEMBL660,50033369,SYMMETREL,2618,2130,NC12CC3CC(CC(C3)C1)C2,"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2",DKNWSYNQZKUICI-UHFFFAOYSA-N
DB00916,443-48-1,Metronidazole,approved,"['12022894', '10676835', '26065445', '1478003', '29077920', '2037955', '16398774', '15561831', '30657582', '23813797', '10384859', '10761537', '20067388']","['P01AB51', 'A01AB17', 'J01RA03', 'J01RA10', 'G01AF01', 'P01AB01', 'A02BD13', 'A02BD03', 'A02BD08', 'A02BD02', 'J01RA04', 'A02BD15', 'J01XD01', 'D06BX01', 'A02BD01', 'G01AF20', 'A02BD11']",D00409,6922,PA450484,2MN,1790,ZINC000000113442,CHEMBL137,50375309,METRONIDAZOLE,6909,4173,CC1=NC=C(N1CCO)[N+]([O-])=O,"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3",VAOCPAMSLUNLGC-UHFFFAOYSA-N
DB00917,363-24-6,Dinoprostone,approved,,G02AD02,D00079,3478,PA449345,P2E,913,ZINC000003830713,CHEMBL548,35847,PROSTIN E2,15551,5280360,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1",XEYBRNLFEZDVAW-ARSRFYASSA-N
DB00918,154323-57-6,Almotriptan,"['approved', 'investigational']",,N02CC05,,279645,PA10246,,128,ZINC000000018087,CHEMBL1505,,ALMOTRIPTAN,520985,123606,CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2,"InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3",WKEMJKQOLOHJLZ-UHFFFAOYSA-N
DB00919,1695-77-8,Spectinomycin,"['vet_approved', 'approved', 'investigational']",,J01XX04,,270,PA164781342,SCM,2468,ZINC000053006806,CHEMBL1167,,SPECTINOMYCIN,9215,15541,[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2,"InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1",UNFWWIHTNXNPBV-WXKVUWSESA-N
DB00920,34580-13-7,Ketotifen,approved,"['9733660', '24267353', '6113023', '2226222', '23611809']","['S01GX08', 'R06AX17']",D01332,6146,PA450152,,1530,ZINC000000004351,CHEMBL534,50002087,KETOTIFEN FUMARATE,92511,3827,CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3",ZCVMWBYGMWKGHF-UHFFFAOYSA-N
DB00921,52485-79-7,Buprenorphine,"['vet_approved', 'illicit', 'approved', 'investigational']","['18071169', '11967625', '26024998', '24990199', '8181201', '18997874', '14614092', '7714228', '12738351', '30377951', '30531584', '29507156', '16339224', '15833777', '19392907', '19368419', '11303059', '15966752']","['N02AE01', 'N07BC01', 'N07BC51']",D07132,1819,PA448685,,434,ZINC000001319780,CHEMBL560511,50026603,,3216,644073,CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1",RMRJXGBAOAMLHD-IHFGGWKQSA-N
DB00922,141505-33-1,Levosimendan,"['approved', 'investigational']","['17323593', '17473298']",C01CX08,D04720,73107,PA164749138,,1576,ZINC000003915645,CHEMBL2051955,50469700,LEVOSIMENDAN,50567,3033825,C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1,"InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1",WHXMKTBCFHIYNQ-SECBINFHSA-N
DB00923,60925-61-3,Ceforanide,approved,"['3140456', '3315624', '3814386', '6762529']",J01DC11,D00259,20486,PA164746057,,544,ZINC000003830434,CHEMBL1201046,,,3495,43507,[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O,"InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1",SLAYUXIURFNXPG-CRAIPNDOSA-N
DB00924,303-53-7,Cyclobenzaprine,approved,"['26001183', '8884233', '20381591', '28803208', '14681337', '11808825', '24410704', '21975349', '33029', '8818577', '30717459', '12498911', '24151591']",M03BX08,D07758,21949,PA449160,,751,ZINC000000968263,CHEMBL669,112774,AMRIX,3996,2895,CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3",JURKNVYFZMSNLP-UHFFFAOYSA-N
DB00925,59-96-1,Phenoxybenzamine,approved,"['88984', '11395517']",C04AX02,,8149,PA450919,,2136,,CHEMBL753,50017679,DIBENZYLINE,8077,4768,CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1,"InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3",QZVCTJOXCFMACW-UHFFFAOYSA-N
DB00926,54350-48-0,Etretinate,withdrawn,,D05BB01,D00316,4182,PA449554,,1116,,,,,94591,3312,CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C,"InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+",HQMNCQVAMBCHCO-DJRRULDNSA-N
DB00927,76824-35-6,Famotidine,approved,"['1764869', '2573505', '2887616']","['A02BA53', 'A02BA03']",D00318,4278,PA449586,,1129,ZINC000001530636,CHEMBL902,50103514,YM-11170,4975,5702160,NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1,"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)",XUFQPHANEAPEMJ-UHFFFAOYSA-N
DB00928,320-67-2,Azacitidine,"['approved', 'investigational']","['12011120', '14585280', '11700387', '18627335', '15962522', '15793220', '16114977', '19911860', '17612710', '18042004', '16030365', '19726509', '4142650']",L01BC07,D03021,1251,PA451996,5AE,25,ZINC000003861768,CHEMBL1489,50424715,ONUREG,2038,9444,NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1",NMUSYJAQQFHJEW-KVTDHHQDSA-N
DB00929,59122-46-2,Misoprostol,approved,"['9120826', '27729972', '7650228', '30326927', '19587339', '17963768', '21333990', '30969695', '31305043', '27102981', '3932043']","['A02BB01', 'M01AE56', 'G02AD06']",D00419,42331,PA450523,,1817,,CHEMBL606,85606,MISOPROSTOL,,5282381,CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC,"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1",OJLOPKGSLYJEMD-URPKTTJQSA-N
DB00930,182815-43-6,Colesevelam,approved,,C10AC04,,141626,PA449095,,,,,,,,,,,
DB00931,914-00-1,Metacycline,"['approved', 'investigational']","['16816396', '18585209']","['J01AA05', 'J01AA20']",D04972,6812,PA164750512,,1727,ZINC000085650610,CHEMBL249837,,METACYCLINE,6805,,[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,"InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1",MHIGBKBJSQVXNH-IWVLMIASSA-N
DB00932,174484-41-4,Tipranavir,"['approved', 'investigational']","['16620137', '16122817', '17712762', '18158073']",J05AE09,,190548,PA163522473,TPV,3609,ZINC000100016058,CHEMBL222559,50479982,TIPRANAVIR,63628,54682461,[H][C@@](CC)(C1=CC(NS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)=CC=C1)C1=C(O)C[C@@](CCC)(CCC2=CC=CC=C2)OC1=O,"InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1",SUJUHGSWHZTSEU-FYBSXPHGSA-N
DB00933,5588-33-0,Mesoridazine,"['approved', 'investigational']",,N05AC03,D02671,6779,PA450386,,1712,,CHEMBL1088,50131440,MESORIDAZINE BENZENESULFONATE,6780,4078,CN1CCCCC1CCN1C2=C(SC3=C1C=C(C=C3)S(C)=O)C=CC=C2,"InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3",SLVMESMUVMCQIY-UHFFFAOYSA-N
DB00934,10262-69-8,Maprotiline,"['approved', 'investigational']",,N06AA21,D02566,6646,PA450322,,1634,ZINC000001530688,CHEMBL21731,50101973,MAPROTILINE,6690,4011,CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3",QSLMDECMDJKHMQ-UHFFFAOYSA-N
DB00935,1491-59-4,Oxymetazoline,"['approved', 'investigational']","['29785414', '14579657', '20669329', '21177487', '8549644', '33001144', '8250339', '28837365', '25039870', '3950497', '20030735']","['S01GA04', 'R01AB07', 'R01AA05']",D08322,7812,PA164748840,,2032,ZINC000000057435,CHEMBL762,30712,UPNEEQ,7862,4636,CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C,"InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)",WYWIFABBXFUGLM-UHFFFAOYSA-N
DB00936,69-72-7,Salicylic acid,"['vet_approved', 'approved', 'investigational']","['5284360', '4505422']","['N02BA04', 'D01AE12', 'S01BC08', 'N02BA12']",D00097,9525,PA451299,SAL,2416,ZINC000000001554,CHEMBL424,26193,SALICYLIC ACID,16914,338,OC(=O)C1=CC=CC=C1O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",YGSDEFSMJLZEOE-UHFFFAOYSA-N
DB00937,90-84-6,Diethylpropion,"['illicit', 'approved']","['18353447', '19897080']",A08AA03,D07444,3389,PA164778098,,874,,CHEMBL1194666,,AMFEPRAMONE HYDROCHLORIDE,4530,7029,CCN(CC)C(C)C(=O)C1=CC=CC=C1,"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3",XXEPPPIWZFICOJ-UHFFFAOYSA-N
DB00938,89365-50-4,Salmeterol,approved,"['7905380', '23131487', '2904183', '28374512', '11825095']","['R03AC12', 'R03AK06', 'R03AK12']",D05792,36117,PA451300,,2419,,CHEMBL1263,25771,SEREVENT,64064,5152,OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1,"InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2",GIIZNNXWQWCKIB-UHFFFAOYSA-N
DB00939,644-62-2,Meclofenamic acid,"['vet_approved', 'approved']",,"['M02AA18', 'M01AG04']",D02341,6678,PA450341,JMS,1650,ZINC000000001655,CHEMBL509,22971,MECLOFENAMIC ACID,6710,4037,CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1,"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)",SBDNJUWAMKYJOX-UHFFFAOYSA-N
DB00940,5818-17-7,Methantheline,"['approved', 'investigational']",,A03AB07,,6821,PA164747037,,1736,ZINC000001530932,CHEMBL1201264,,METHANTHELINE,6817,4097,CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12,"InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1",GZHFODJQISUKAY-UHFFFAOYSA-N
DB00941,4844-10-4,Hexafluronium,approved,,M03AC05,D04435,26826,PA164743020,,,ZINC000001566899,CHEMBL1201349,,,135804,3601,C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2,"InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3/q+2",HDZAQYPYABGTCL-UHFFFAOYSA-N
DB00942,77-39-4,Cycrimine,approved,1267542,,,22037,PA164749387,,763,,CHEMBL1201227,,,59692,2911,OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1,"InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2",SWRUZBWLEWHWRI-UHFFFAOYSA-N
DB00943,7481-89-2,Zalcitabine,"['approved', 'investigational']","['7614775', '8097417']",J05AF03,D00412,3363,PA451950,,2856,ZINC000000039906,CHEMBL853,50145605,HIVID,10101,24066,NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1,"InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1",WREGKURFCTUGRC-POYBYMJQSA-N
DB00944,16505-84-3,Demecarium,approved,"['12641839', '8430939', '7887518']",S01EB04,D00667,107771,PA164745610,,,ZINC000003875376,CHEMBL1201229,,,59719,5966,CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,"InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2",RWZVPVOZTJJMNU-UHFFFAOYSA-N
DB00945,50-78-2,Acetylsalicylic acid,"['vet_approved', 'approved']","['25715929', '14592543', '30280037', '1554971', '30575949', '24874482', '12484694', '11124191', '2899772', '28491485', '12969898', '724339', '28762014', '9597150', '17456544', '17301265', '12411346']","['C10BX02', 'C10BX04', 'C10BX05', 'N02AJ07', 'C07FX03', 'C10BX01', 'M01BA03', 'N02BA71', 'B01AC56', 'C07FX04', 'N02BA01', 'A01AD05', 'N02AJ02', 'C10BX08', 'N02AJ18', 'B01AC06', 'C10BX12', 'N02BA51', 'C10BX06', 'C07FX02']",D00109,1191,PA448497,AIN,74,ZINC000000000053,CHEMBL25,22360,MEASURIN,15365,2244,CC(=O)OC1=CC=CC=C1C(O)=O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",BSYNRYMUTXBXSQ-UHFFFAOYSA-N
DB00946,435-97-2,Phenprocoumon,"['approved', 'investigational']",,B01AA04,D05457,8150,PA450921,,2138,,CHEMBL1465,768,PHENPROCOUMON,50438,54680692,CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3",DQDAYGNAKTZFIW-UHFFFAOYSA-N
DB00947,129453-61-8,Fulvestrant,"['approved', 'investigational']","['12490735', '15950373', '20151846']",L02BA03,D01161,282357,PA164747170,,1255,,CHEMBL1358,50169743,ZD9238,31638,104741,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H],"InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1",VWUXBMIQPBEWFH-WCCTWKNTSA-N
DB00948,51481-65-3,Mezlocillin,"['approved', 'investigational']","['9527154', '9403281', '9096584']","['J01CR50', 'J01CA10']",D05021,6927,PA164750540,,1795,ZINC000003831120,CHEMBL1731,,BAYPEN,6919,656511,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1",YPBATNHYBCGSSN-VWPFQQQWSA-N
DB00949,25451-15-4,Felbamate,approved,1944909,N03AX10,D00536,24812,PA449590,,1140,ZINC000001530803,CHEMBL1094,50088430,ADD-03055,4995,3331,NC(=O)OCC(COC(N)=O)C1=CC=CC=C1,"InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)",WKGXYQFOCVYPAC-UHFFFAOYSA-N
DB00950,83799-24-0,Fexofenadine,"['approved', 'investigational']","['28414144', '15312146', '19545214', '18336052', '29635947', '9506246', '19539095', '15669879']",R06AX26,D07958,87636,PA449621,,1170,,CHEMBL914,22874,FEXOFENADINE,5050,3348,CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)",RWTNPBWLLIMQHL-UHFFFAOYSA-N
DB00951,54-85-3,Isoniazid,"['approved', 'investigational']",,"['J04AC51', 'J04AM02', 'J04AM04', 'J04AC01', 'J04AM06', 'J04AM05', 'J04AM07', 'J04AM08', 'J04AM01', 'J04AM03']",D00346,6038,PA450112,NIZ,1497,ZINC000000001590,CHEMBL64,50336507,RIMIFON,6030,3767,NNC(=O)C1=CC=NC=C1,"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)",QRXWMOHMRWLFEY-UHFFFAOYSA-N
DB00952,121679-13-8,Naratriptan,"['approved', 'investigational']","['12463278', '15320857', '16389295']",N02CC02,D08255,141366,PA450597,,1884,ZINC000000004076,CHEMBL1278,50073682,GR 85548A,7478,4440,CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1,"InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3",AMKVXSZCKVJAGH-UHFFFAOYSA-N
DB00953,144034-80-0,Rizatriptan,approved,"['15056946', '12093318', '12269863', '12434581', '11152011']",N02CC04,D00675,88014,PA451264,,2393,ZINC000000005895,CHEMBL905,50033437,MK-0462,48273,5078,CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2,"InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3",ULFRLSNUDGIQQP-UHFFFAOYSA-N
DB00954,62013-04-1,Dirithromycin,experimental,"['7528132', '8478313', '8893122']",J01FA13,D03865,23437,PA449368,DI0,925,ZINC000096095661,CHEMBL1237072,59397,LY-237216,474014,6473883,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O,"InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1",WLOHNSSYAXHWNR-DWIOZXRMSA-N
DB00955,56391-56-1,Netilmicin,"['approved', 'investigational']","['15237240', '16028643', '15307571']","['S01AA23', 'J01GB07']",D08268,7337,PA164754913,,1903,ZINC000052981502,CHEMBL1572,50470664,SCH 20569,,441306,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O,"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",CIDUJQMULVCIBT-MQDUPKMGSA-N
DB00956,125-29-1,Hydrocodone,"['illicit', 'approved', 'investigational']","['18443637', '26749219', '14998425', '25653563', '25621429', '27662264', '23719682', '31170174', '21343764', '7693389', '30327606', '25196888', '28931']",R05DA03,D08045,5489,PA449900,,1386,ZINC000001280665,CHEMBL1457,50386689,HYCODAN,5779,5284569,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",LLPOLZWFYMWNKH-CMKMFDCUSA-N
DB00957,35189-28-7,Norgestimate,"['approved', 'investigational']","['201429', '15548387', '29403920', '17505938', '28283499', '27006385', '12586319', '28613632']","['G03AB09', 'G03FA13', 'G03AA11']",D05209,31994,PA164744346,,1968,ZINC000003938695,CHEMBL1200934,,NORGESTIMATE,50815,6540478,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O,"InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1",KIQQMECNKUGGKA-NMYWJIRASA-N
DB00958,41575-94-4,Carboplatin,approved,"['3036389', '21135941', '7527485', '3283185', '3512077', '6761010']",L01XA02,D01363,40048,PA448803,,,,,,,31355,10339178,[H][N]([H])([H])[Pt]1(OC(=O)C2(CCC2)C(=O)O1)[N]([H])([H])[H],"InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2",OLESAACUTLOWQZ-UHFFFAOYSA-L
DB00959,83-43-2,Methylprednisolone,"['vet_approved', 'approved']","['23792784', '30285357', '32181990', '24347992', '14294877', '455892', '11217929', '13470731', '3732369', '13475063', '28435101']","['D07AA01', 'H02AB04', 'S01CA08', 'H02BX01', 'D07CA02', 'D10AA02']",D00407,6902,PA450466,,1768,ZINC000003875560,CHEMBL650,50103616,MEDROL,6888,6741,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",VHRSUDSXCMQTMA-PJHHCJLFSA-N
DB00960,13523-86-9,Pindolol,"['approved', 'investigational']","['24685403', '30422499', '7049208', '4398866', '10342782', '6125395', '5156091']","['C07AA03', 'C07CA03']",D00513,8332,PA450966,,2176,,CHEMBL500,50019443,PINDOLOL,8214,4828,CC(C)NCC(O)COC1=CC=CC2=C1C=CN2,"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3",JZQKKSLKJUAGIC-UHFFFAOYSA-N
DB00961,96-88-8,Mepivacaine,"['vet_approved', 'approved']",,"['N01BB53', 'N01BB03']",D08181,6759,PA164748741,,1700,,CHEMBL1087,50417964,MEPIVACAINE,6759,4062,CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)",INWLQCZOYSRPNW-UHFFFAOYSA-N
DB00962,151319-34-5,Zaleplon,"['illicit', 'approved', 'investigational']","['10804040', '15037809', '15783240', '12404558', '15252823', '10983740', '17853625']",N05CF03,D00530,74667,PA451952,,2857,ZINC000000006300,CHEMBL1521,86521,ZALEPLON,10102,5719,CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3",HUNXMJYCHXQEGX-UHFFFAOYSA-N
DB00963,91714-94-2,Bromfenac,approved,,S01BC11,D07541,19737,PA448670,27R,401,ZINC000002570817,CHEMBL1077,50248104,ISV-303,240107,60726,NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1,"InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)",ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
DB00964,66711-21-5,Apraclonidine,approved,"['16808679', '16418668', '16805122', '14575724', '16355950', '16518162']",S01EA03,,14845,PA164748866,,229,ZINC000000020231,CHEMBL647,50021812,APRACLONIDINE,2788,2216,NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1,"InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)",IEJXVRYNEISIKR-UHFFFAOYSA-N
DB00965,8008-53-5,Ethiodized oil,"['approved', 'investigational']","['1859783', '1947041']",V08AD01,D04082,4125,PA164768833,,,,,,,,,,,
DB00966,144701-48-4,Telmisartan,"['approved', 'investigational']","['20502601', '11558835', '12462282', '20448797']","['C09CA07', 'C09DA07', 'C09DB04']",D00627,73494,PA451605,TLS,2583,ZINC000001530886,CHEMBL1017,50043280,BIBR 277 SE,9434,65999,CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O,"InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)",RMMXLENWKUUMAY-UHFFFAOYSA-N
DB00967,100643-71-8,Desloratadine,"['approved', 'investigational']","['10784544', '18336052', '17902729', '14655812', '19539095', '20067329', '12642846', '12917016']",R06AX27,D03693,275635,PA164776964,,814,ZINC000000001261,CHEMBL1172,50073179,CLARINEX,291342,124087,ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1,"InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2",JAUOIFJMECXRGI-UHFFFAOYSA-N
DB00968,555-30-6,Methyldopa,approved,"['31869135', '19821316', '7047042', '6104975', '17485976', '6355433', '6094349', '4646774', '14163994', '6258943']",C02AB01,D08205,1545996,PA450453,,1762,ZINC000000020255,CHEMBL459,48449,METHYLDOPA,61058,38853,C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O,"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1",CJCSPKMFHVPWAR-JTQLQIEISA-N
DB00969,122852-42-0,Alosetron,"['withdrawn', 'approved']","['20136586', '11060667', '14596662', '15061683', '18555935']",A03AE01,D07129,85248,PA164745502,S7Y,129,ZINC000013537284,CHEMBL1110,93624,ALOSETRON,253342,2099,CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2,"InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)",JSWZEAMFRNKZNL-UHFFFAOYSA-N
DB00970,50-76-0,Dactinomycin,"['approved', 'investigational']","['16803542', '15543019', '17102824', '2410919']",L01DA01,D00214,3100,PA151917012,,774,,CHEMBL1554,50089528,COSMEGEN,27666,457193,[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C,"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1",RJURFGZVJUQBHK-IIXSONLDSA-N
DB00971,7488-56-4,Selenium Sulfide,approved,"['10821151', '20735804']",D01AE13,,36345,PA164771240,,4274,,CHEMBL1200680,,SELENIUM DISULFIDE,135934,24087,S=[Se]=S,InChI=1S/S2Se/c1-3-2,JNMWHTHYDQTDQZ-UHFFFAOYSA-N
DB00972,58581-89-8,Azelastine,approved,"['10570018', '11291777', '20856595', '27885525', '8630722', '19209282', '22954967', '10383922', '17723160']","['R06AX19', 'R01AC03', 'S01GX07']",D07483,18603,PA448517,,271,,CHEMBL639,50341448,A-5610,2950,2267,CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3",MBUVEWMHONZEQD-UHFFFAOYSA-N
DB00973,163222-33-1,Ezetimibe,approved,"['14620392', '15928087', '15871634', '22910633']","['C10BA06', 'C10BA02', 'C10AX09', 'C10BA05']",D01966,341248,PA10816,H56,1125,ZINC000003810860,CHEMBL1138,50371521,ZETIA,49040,150311,[H][C@]1(CC[C@H](O)C2=CC=C(F)C=C2)C(=O)N(C2=CC=C(F)C=C2)[C@]1([H])C1=CC=C(O)C=C1,"InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1",OLNTVTPDXPETLC-XPWALMASSA-N
DB00974,60-00-4,Edetic acid,"['vet_approved', 'approved']",,,D00052,1370600,PA449439,EDT,987,ZINC000019364242,CHEMBL858,50330325,EDETIC ACID,4735,6049,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",KCXVZYZYPLLWCC-UHFFFAOYSA-N
DB00975,58-32-2,Dipyridamole,approved,8981292,B01AC07,D00302,3521,PA449367,H9F,924,ZINC000000643046,CHEMBL932,23620,DIPYRIDAMOLE,4653,3108,OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1,"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2",IZEKFCXSFNUWAM-UHFFFAOYSA-N
DB00976,191114-48-4,Telithromycin,approved,16481451,J01FA15,D01078,274786,PA10202,TEL,2581,ZINC000009574770,CHEMBL1136,50378137,HMR 3647,,3002190,[H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCCCN1C=NC(=C1)C1=CC=CN=C1,"InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1",LJVAJPDWBABPEJ-PNUFFHFMSA-N
DB00977,57-63-6,Ethinylestradiol,approved,"['21091163', '28579309', '28331292', '31983034', '4214831', '8474433', '25349334', '30367791', '29637542', '15483196', '5802625', '2308344', '30316907']","['G03AB06', 'G03AA06', 'G03AB01', 'G03AA15', 'G03AA07', 'G03AB03', 'G03AA02', 'G03AB09', 'G03AA03', 'G03AB04', 'G03AA13', 'G03AA08', 'G03AA04', 'G03AA16', 'G03AA12', 'G03AA01', 'G03AB05', 'G03AA09', 'G03AA11', 'G03AA05', 'G03CA01', 'G03AB02', 'G03AA10', 'L02AA03', 'G03AB07']",D00554,4124,PA449527,3WF,1082,ZINC000003812897,CHEMBL691,50187243,ETHINYL ESTRADIOL,4903,5991,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1",BFPYWIDHMRZLRN-SLHNCBLASA-N
DB00978,98079-51-7,Lomefloxacin,"['approved', 'investigational']",,"['S01AE04', 'J01MA07']",D02318,28872,PA164749165,,1594,,CHEMBL561,50417952,MAXAQUIN,116278,3948,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)",ZEKZLJVOYLTDKK-UHFFFAOYSA-N
DB00979,512-15-2,Cyclopentolate,approved,,"['S01FA54', 'S01FA04']",,3001,PA164743019,,757,,CHEMBL1201338,82375,CYCLOGYL,4024,2905,CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1,"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3",SKYSRIRYMSLOIN-UHFFFAOYSA-N
DB00980,196597-26-9,Ramelteon,"['approved', 'investigational']","['16173650', '16432265', '18729542', '19568703', '19228178', '17157111']",N05CH02,,596205,PA164744896,JEV,2355,ZINC000003960338,CHEMBL1218,50118470,TAK-375,109549,208902,CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2,"InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1",YLXDSYKOBKBWJQ-LBPRGKRZSA-N
DB00981,57-47-6,Physostigmine,"['approved', 'investigational']",,"['S01EB05', 'V03AB19']",D00196,8299,PA450957,,2159,ZINC000091689892,CHEMBL94,11023,PHYSOSTIGMINE,27953,5983,[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1",PIJVFDBKTWXHHD-HIFRSBDPSA-N
DB00982,4759-48-2,Isotretinoin,approved,"['6957421', '8548998', '6461675', '22110774', '17224928', '20436884', '1352212', '6120808']","['D10BA01', 'D10AD54', 'D10AD04']",D00348,6064,PA450128,,1508,ZINC000003792789,CHEMBL547,50031459,AMNESTEEM,6067,5282379,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-",SHGAZHPCJJPHSC-XFYACQKRSA-N
DB00983,73573-87-2,Formoterol,"['approved', 'investigational']","['18974284', '17627976', '16917073', '9506248', '10497135', '12236843', '8099696', '14730417', '25751092']","['R03AL05', 'R03AK08', 'R03AK11', 'R03AK09', 'R03AL10', 'R03AK07', 'R03AC13', 'R03AL07', 'R03AL09', 'R03AL11']",D07990,25255,PA134687907,,1239,,CHEMBL1256786,86453,BD 40A,63082,3410,COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)",BPZSYCZIITTYBL-UHFFFAOYSA-N
DB00984,62-90-8,Nandrolone phenpropionate,"['illicit', 'approved', 'investigational']",,,D00956,31495,PA164746281,,1882,ZINC000003881613,CHEMBL1200412,,DURABOLIN,7468,229455,[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",UBWXUGDQUBIEIZ-QNTYDACNSA-N
DB00985,523-87-5,Dimenhydrinate,approved,"['18112350', '11835984', '30406755', '3133696', '19515014', '4329456', '14856685']",,D00520,3444,PA449338,,,,CHEMBL1200406,,DIMENHYDRINATE,94848,10660,CN1C2=C(N=C(Cl)N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)",NFLLKCVHYJRNRH-UHFFFAOYSA-N
DB00986,740028-90-4,Glycopyrronium,"['vet_approved', 'approved', 'investigational']","['10385241', '31130562', '29093194', '22854200', '2068048', '15691866', '13858833', '31495925', '30994316']","['D11AA01', 'R03AL04', 'A03AB02', 'A03CA05', 'R03AL07', 'R03AL12', 'R03AL09', 'R03BB06', 'R03AL11']",D00540,1546438,PA164754882,,,,CHEMBL1201335,50417445,CHF-5259,94449,3494,C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1,"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1",ANGKOCUUWGHLCE-UHFFFAOYSA-N
DB00987,147-94-4,Cytarabine,"['approved', 'investigational']",,"['L01BC01', 'L01XY01']",D00168,3041,PA449177,AR3,770,ZINC000003795098,CHEMBL803,50087289,U-19920A,28680,6253,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1",UHDGCWIWMRVCDJ-CCXZUQQUSA-N
DB00988,51-61-6,Dopamine,approved,"['17237217', '14561867', '11805404', '11477488', '9858756']",C01CA04,D07870,3628,PA449396,LDP,947,ZINC000000033882,CHEMBL59,55121,INTROPIN,18243,681,NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N
DB00989,123441-03-2,Rivastigmine,"['approved', 'investigational']","['19370562', '14587496', '19470293', '12369954', '11568422', '15336465', '10066203', '15590953']",N06DA03,D03822,183379,PA451262,,2392,ZINC000000004413,CHEMBL636,10620,ENA 713,8874,77991,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C,"InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1",XSVMFMHYUFZWBK-NSHDSACASA-N
DB00990,107868-30-4,Exemestane,"['approved', 'investigational']","['17307102', '18728707', '19337436', '19436613', '20360896']",L02BG06,D00963,258494,PA449563,EXM,1122,ZINC000003973334,CHEMBL1200374,50398447,AROMASIN,4953,60198,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C,"InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1",BFYIZQONLCFLEV-DAELLWKTSA-N
DB00991,21256-18-8,Oxaprozin,approved,15324531,M01AE12,D00463,32613,PA450730,,2013,ZINC000049643479,CHEMBL1071,50002861,DAYPRO ALTA,7822,4614,OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)",OFPXSFXSNFPTHF-UHFFFAOYSA-N
DB00992,33320-16-0,Methyl aminolevulinate,"['approved', 'investigational']",19592269,L01XD03,D08204,337068,PA164784028,,168,ZINC000001909090,CHEMBL1096562,,METVIX,724125,157922,COC(=O)CCC(=O)CN,"InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3",YUUAYBAIHCDHHD-UHFFFAOYSA-N
DB00993,446-86-6,Azathioprine,approved,"['28296824', '28811125', '8881811', '15247179', '2649979', '12697733', '15354273', '1002367', '25272656', '18020555']",L04AX01,D00238,1256,PA448515,,269,ZINC000004258316,CHEMBL1542,50373919,AZATHIOPRINE,2948,2265,CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O,"InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)",LMEKQMALGUDUQG-UHFFFAOYSA-N
DB00994,1404-04-2,Neomycin,"['vet_approved', 'approved']","['1095304', '6224608', '19438282']","['S02AA07', 'D06AX04', 'A07AA01', 'A07AA51', 'S03AA01', 'A01AB08', 'R02AB01', 'J01GB05', 'S01AA03', 'B05CA09']",D08260,7299,PA450608,CNY,,,,,,,,,,
DB00995,34031-32-8,Auranofin,"['approved', 'investigational']","['12754408', '16036347', '25698589', '8088316', '6321596', '24763048', '15191400', '15159275', '29194002', '24875642', '15370403', '431070']",M01CB03,D00237,1227,PA448510,,,,,50153291,,2922,6918453,CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1",AUJRCFUBUPVWSZ-XTZHGVARSA-M
DB00996,60142-96-3,Gabapentin,"['approved', 'investigational']","['26844734', '17067834', '22240839', '16141215', '18299583', '16368827', '23435945', '20818832', '15638774', '16376147', '23567998', '15572277', '18397299', '30021858', '26456872']",N03AX12,D00332,25480,PA449720,GBN,1264,ZINC000000004949,CHEMBL940,50080153,GRALISE,42797,3446,NCC1(CC(O)=O)CCCCC1,"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)",UGJMXCAKCUNAIE-UHFFFAOYSA-N
DB00997,23214-92-8,Doxorubicin,"['approved', 'investigational']","['2555273', '9864344', '1462166', '5772652', '4290058', '19442138', '5365804']",L01DB01,D03899,3639,PA449412,DM2,960,ZINC000003918087,CHEMBL53463,32022,CAELYX,28748,31703,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1",AOJJSUZBOXZQNB-TZSSRYMLSA-N
DB00998,158747-02-5,Frovatriptan,"['approved', 'investigational']","['15311727', '11327198', '18360605', '11735616', '18001261', '15342617']",N02CC07,D07997,228783,PA164754891,,1251,ZINC000000018635,CHEMBL1279,50073689,FROVELAN,134991,77992,CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O,"InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1",XPSQPHWEGNHMSK-SECBINFHSA-N
DB00999,58-93-5,Hydrochlorothiazide,"['vet_approved', 'approved']","['28613517', '1551742', '30218717', '19474192', '6873147', '30422513', '17135398', '9856976']","['C03AX01', 'C03AB03', 'G01AE10', 'C09XA54', 'C09BX03', 'C09DX07', 'C09DX01', 'C03AA03', 'C09XA52', 'C09DX06', 'C03EA01', 'C09DX03']",D00340,5487,PA449899,HCZ,1385,ZINC000000896569,CHEMBL435,13076,MICROZIDE,5778,3639,NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1,"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)",JZUFKLXOESDKRF-UHFFFAOYSA-N
DB01000,3485-14-1,Cyclacillin,approved,,J01CR50,D01334,2968,PA164743456,,632,ZINC000003830609,CHEMBL1200356,50350474,,31444,19003,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O,"InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1",HGBLNBBNRORJKI-WCABBAIRSA-N
DB01001,18559-94-9,Salbutamol,"['vet_approved', 'approved']","['28061018', '3790406']","['R03AC02', 'R03AK13', 'R03AK04', 'R03CC02', 'R03AL02']",D02147,435,PA448068,,105,,CHEMBL714,25769,AEROLIN,2549,2083,CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N
DB01002,27262-47-1,Levobupivacaine,"['approved', 'investigational']","['18728849', '18788503']",N01BB10,D08116,259453,PA164754741,,4,ZINC000001530812,CHEMBL1201193,50350791,CHIROCAINE,6149,92253,CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1",LEBVLXFERQHONN-INIZCTEOSA-N
DB01003,16110-51-3,Cromoglicic acid,approved,8564197,"['A07EB01', 'R03BC01', 'R01AC01', 'R03AK05', 'R03AK04', 'S01GX01', 'D11AH03', 'R01AC51', 'S01GX51']",D07753,2921,PA449138,,741,ZINC000001530788,CHEMBL428880,50440033,CROMOLYN,59773,2882,OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O,"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)",IMZMKUWMOSJXDT-UHFFFAOYSA-N
DB01004,82410-32-0,Ganciclovir,"['approved', 'investigational']",,"['S01AD09', 'J05AB06']",D00333,4678,PA449733,GA2,1277,ZINC000000001505,CHEMBL182,50237614,ZIRGAN,465284,135398740,NC1=NC2=C(N=CN2COC(CO)CO)C(=O)N1,"InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)",IRSCQMHQWWYFCW-UHFFFAOYSA-N
DB01005,127-07-1,Hydroxyurea,approved,,L01XX05,D00341,5552,PA449942,NHY,1399,ZINC000008034120,CHEMBL467,50017811,HYDROXYUREA,44423,3657,NC(=O)NO,"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)",VSNHCAURESNICA-UHFFFAOYSA-N
DB01006,112809-51-5,Letrozole,"['approved', 'investigational']","['18728707', '23965986', '2149502', '17912633', '11745921', '8476774', '25695958']",L02BG04,D00964,72965,PA450196,,1556,ZINC000003778874,CHEMBL1444,13061,CGS 20267,6413,3902,N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N,"InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H",HPJKCIUCZWXJDR-UHFFFAOYSA-N
DB01007,65899-73-2,Tioconazole,approved,,"['D01AC07', 'G01AF20', 'G01AF08']",D00890,38298,PA164746156,,2675,,CHEMBL1200438,50370218,VAGISTAT,77898,5482,ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1,"InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2",QXHHHPZILQDDPS-UHFFFAOYSA-N
DB01008,55-98-1,Busulfan,"['approved', 'investigational']","['18690856', '16601191', '20577993', '18690982', '1422285', '19611402', '19361744']",L01AB01,D00248,1828,PA448691,,438,ZINC000001530572,CHEMBL820,50237623,BUSULFAN,28901,2478,CS(=O)(=O)OCCCCOS(C)(=O)=O,"InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3",COVZYZSDYWQREU-UHFFFAOYSA-N
DB01009,22071-15-4,Ketoprofen,"['vet_approved', 'approved']","['3526298', '16274258']","['M01AE03', 'M01AE53', 'M02AA10']",D00132,6142,PA450149,,1528,,CHEMBL571,50022271,CAPISTEN,6128,3825,CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",DKYWVDODHFEZIM-UHFFFAOYSA-N
DB01010,312-48-1,Edrophonium,approved,,V04CX07,,3752,PA449437,EDR,988,ZINC000000001341,CHEMBL1104,120262,EDROPHONIUM CHLORIDE,251408,3202,CC[N+](C)(C)C1=CC(O)=CC=C1,"InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1",VWLHWLSRQJQWRG-UHFFFAOYSA-O
DB01011,54-36-4,Metyrapone,"['approved', 'investigational']",,V04CD01,D00410,6923,PA450486,MYT,1791,ZINC000000001728,CHEMBL934,50028166,METOPIRONE,44241,4174,CC(C)(C(=O)C1=CN=CC=C1)C1=CC=CN=C1,"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3",FJLBFSROUSIWMA-UHFFFAOYSA-N
DB01012,226256-56-0,Cinacalcet,approved,"['16825031', '16368445', '19566113']",H05BX01,D03504,407990,PA164776671,YP4,647,ZINC000001550499,CHEMBL1201284,50416875,AMG-073,48390,156419,C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12,"InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1",VDHAWDNDOKGFTD-MRXNPFEDSA-N
DB01013,25122-46-7,Clobetasol propionate,approved,"['23300763', '4594577', '30285357', '15634032', '3902682', '6851236', '6610079']",,D01272,21245,PA164744375,XRD,4452,ZINC000003977767,CHEMBL1159650,39347,CLOBETASOL PROPIONATE,31414,32798,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1",CBGUOGMQLZIXBE-XGQKBEPLSA-N
DB01014,80573-04-2,Balsalazide,"['approved', 'investigational']","['19743890', '11563993']",A07EC04,D07488,18747,PA448536,,284,ZINC000003952881,CHEMBL1201346,,COLAZIDE,267413,,OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O,"InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-19+",IPOKCKJONYRRHP-FMQUCBEESA-N
DB01015,723-46-6,Sulfamethoxazole,approved,"['9631140', '7981016', '12812351', '1093654', '30020604', '29271734', '19515014', '22383850']","['J01EC01', 'J04AM08', 'J01EE01', 'G01AE10']",D00447,10180,PA451544,08D,2514,ZINC000000089763,CHEMBL443,50029770,GANTANOL,9332,5329,CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT-UHFFFAOYSA-N
DB01016,10238-21-8,Glyburide,approved,"['29772022', '7560255', '3966729', '29990565', '25450675', '21084763', '8740326', '12819907', '17011523']",A10BB01,D00336,4815,PA449782,GBM,1314,ZINC000000537805,CHEMBL472,50012957,MICRONASE,5441,3488,COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)",ZNNLBTZKUZBEKO-UHFFFAOYSA-N
DB01017,10118-90-8,Minocycline,"['approved', 'investigational']","['6124399', '3072140', '11381101', '28333250', '1211910', '23441623', '5985260', '782466']","['J01AA08', 'J01AA20', 'A01AB23']",D05045,6980,PA450519,MIY,1813,ZINC000014879992,CHEMBL1434,50103599,SOLODYN,50694,,[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1",DYKFCLLONBREIL-KVUCHLLUSA-N
DB01018,29110-47-2,Guanfacine,"['approved', 'investigational']","['20136479', '27128830', '6761349', '4276642', '20844694', '6994776', '326262', '6994775', '31313320']",C02AC02,D08031,40114,PA449825,,1343,ZINC000003872738,CHEMBL862,81984,BS-100-141,5558,3519,NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl,"InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)",INJOMKTZOLKMBF-UHFFFAOYSA-N
DB01019,674-38-4,Bethanechol,approved,"['30844190', '32809422', '31985923']",N07AB02,,19257,PA448613,,358,,CHEMBL1482,39342,URECHOLINE,3084,2370,CC(C[N+](C)(C)C)OC(N)=O,"InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1",NZUPCNDJBJXXRF-UHFFFAOYSA-O
DB01020,16051-77-7,Isosorbide mononitrate,approved,"['1449102', '25446162']",C01DA14,D00630,28004,PA450126,,1506,ZINC000001849548,CHEMBL1311,,ISOSORBIDE MONONITRATE,6062,27661,[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O,"InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1",YWXYYJSYQOXTPL-SLPGGIOYSA-N
DB01021,133-67-5,Trichlormethiazide,"['vet_approved', 'approved']",,"['C03AA06', 'C03EA02', 'C03AB06', 'G01AE10']",D00658,10772,PA164752426,,2733,,CHEMBL1054,26998,NAQUA,9683,5560,NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl,"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)",LMJSLTNSBFUCMU-UHFFFAOYSA-N
DB01022,84-80-0,Phylloquinone,"['approved', 'investigational']","['24489112', '17671443', '32344816', '859820', '31869059', '32491554', '24138531', '32625486', '11684396', '32102248', '8799516', '22516726', '7306367', '5032096']",B02BA01,D00148,8308,PA450961,PQN,2843,ZINC000003831332,CHEMBL1550,,KONAKION,18067,5284607,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",MBWXNTAXLNYFJB-NKFFZRIASA-N
DB01023,72509-76-3,Felodipine,"['approved', 'investigational']",1782737,"['C08CA02', 'C09BB05', 'C07FB02']",D00319,4316,PA449591,,1142,,CHEMBL1480,189379,PLENDIL,585948,3333,CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC,"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3",RZTAMFZIAATZDJ-UHFFFAOYSA-N
DB01024,24280-93-1,Mycophenolic acid,approved,15899149,L04AA06,,265323,PA164748728,MOA,,ZINC000000001758,CHEMBL866,19264,MYFORTIC,168396,446541,COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C,"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+",HPNSFSBZBAHARI-RUDMXATFSA-N
DB01025,68302-57-8,Amlexanox,"['withdrawn', 'approved', 'investigational']",17532700,"['R03DX01', 'A01AD07']",D01828,46307,PA164745310,ANW,182,ZINC000000000928,CHEMBL1096,357857,CHX 3673,31205,2161,CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1,"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)",SGRYPYWGNKJSDL-UHFFFAOYSA-N
DB01026,65277-42-1,Ketoconazole,"['approved', 'investigational']","['15737124', '12476017', '19799546', '14748798', '6151171', '10933341', '3280211', '10451809', '14675275', '25775613']","['J02AB02', 'G01AF11', 'G01AF20', 'D01AC08']",D00351,6135,PA450146,KTN,1527,,CHEMBL157101,151585,XOLEGEL,48339,3823,CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3",XMAYWYJOQHXEEK-UHFFFAOYSA-N
DB01028,76-38-0,Methoxyflurane,"['vet_approved', 'approved', 'investigational']",,N02BG09,D00544,6857,PA450434,,1754,ZINC000000896988,CHEMBL1341,,METHOXYFLURANE,6843,4116,COC(F)(F)C(Cl)Cl,"InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3",RFKMCNOHBTXSMU-UHFFFAOYSA-N
DB01029,138402-11-6,Irbesartan,"['approved', 'investigational']","['9549663', '15101793', '16548975', '19515014', '9571222', '11565517']","['C09CA04', 'C09DX07', 'C09DB05', 'C09DA04']",D00523,83818,PA450084,,1481,ZINC000003872931,CHEMBL1513,50042235,IRBESARTAN,5959,3749,CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",YOSHYTLCDANDAN-UHFFFAOYSA-N
DB01030,123948-87-8,Topotecan,"['approved', 'investigational']","['9122737', '9885371', '8853931']",L01XX17,D08618,57308,PA451729,TTC,2707,ZINC000001611274,CHEMBL84,50034026,TOPOTECAN,63632,60700,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O,"InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1",UCFGDBYHRUNTLO-QHCPKHFHSA-N
DB01031,126-52-3,Ethinamate,"['withdrawn', 'illicit', 'approved']",,,D00703,24474,PA164745394,,1081,ZINC000000001385,CHEMBL1576,,,4884,3284,NC(=O)OC1(CCCCC1)C#C,"InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)",GXRZIMHKGDIBEW-UHFFFAOYSA-N
DB01032,57-66-9,Probenecid,"['approved', 'investigational']",16267514,"['G01AE10', 'M04AB01']",D00475,8698,PA451106,,2268,ZINC000000001982,CHEMBL897,50206509,PROBENECID,8426,4911,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)",DBABZHXKTCFAPX-UHFFFAOYSA-N
DB01033,50-44-2,Mercaptopurine,approved,,"['R03DA20', 'L01BB02']",D04931,103,PA450379,PM6,1708,ZINC000004658290,CHEMBL1425,50423778,NSC-755,94796,667490,S=C1N=CNC2=C1NC=N2,"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",GLVAUDGFNGKCSF-UHFFFAOYSA-N
DB01034,17397-89-6,Cerulenin,experimental,"['11815464', '11866903']",,,,PA164764551,1X9,578,ZINC000004102315,CHEMBL45627,50009248,,171741,5282054,[H][C@]1(O[C@]1([H])C(=O)CC\C=C\C\C=C\C)C(N)=O,"InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1",GVEZIHKRYBHEFX-NQQPLRFYSA-N
DB01035,51-06-9,Procainamide,approved,,C01BA02,,8700,PA451108,,2270,ZINC000001530756,CHEMBL640,39344,PROCAN,8428,4913,CCN(CC)CCNC(=O)C1=CC=C(N)C=C1,"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)",REQCZEXYDRLIBE-UHFFFAOYSA-N
DB01036,124937-51-5,Tolterodine,"['approved', 'investigational']",,G04BD07,D00646,119565,PA164746757,,2705,ZINC000000968336,CHEMBL1382,50165008,TOLTERODINE L-TARTRATE,9622,443879,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C,"InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1",OOGJQPCLVADCPB-HXUWFJFHSA-N
DB01037,14611-51-9,Selegiline,"['vet_approved', 'approved', 'investigational']","['11978145', '18311418', '16034956', '7995016', '19300583', '6441926', '1658311']",N04BD01,D03731,9639,PA451316,,2429,ZINC000019632633,CHEMBL972,15579,EMSAM,9086,26757,C[C@H](CC1=CC=CC=C1)N(C)CC#C,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1",MEZLKOACVSPNER-GFCCVEGCSA-N
DB01038,2622-30-2,Carphenazine,withdrawn,,,,,PA164750571,,516,ZINC000022446644,CHEMBL1201328,,,51235,18104,CCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1,"InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3",XZSMZRXAEFNJCU-UHFFFAOYSA-N
DB01039,49562-28-9,Fenofibrate,approved,"['11330046', '23386599', '3318449', '2226216', '27594083', '9515185', '12582161', '27599626', '19251819']","['C10AB05', 'C10BA09', 'C10BA04', 'C10BA03']",D00565,8703,PA449594,,1152,ZINC000000584092,CHEMBL672,50085042,TRIGLIDE,5001,3339,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3",YMTINGFKWWXKFG-UHFFFAOYSA-N
DB01041,50-35-1,Thalidomide,"['withdrawn', 'approved', 'investigational']",,L04AX02,D00754,10432,PA451644,,2616,,CHEMBL468,50070114,KEVADON,74947,5426,O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12,"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)",UEJJHQNACJXSKW-UHFFFAOYSA-N
DB01042,148-82-3,Melphalan,approved,"['8781575', '16781199', '7527485', '8398701', '18324787']",L01AA03,D00369,6718,PA450354,,1678,ZINC000000001673,CHEMBL852,50025837,ALKERAN,28876,6918992,N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O,"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1",SGDBTWWWUNNDEQ-LBPRGKRZSA-N
DB01043,19982-08-2,Memantine,"['approved', 'investigational']","['11026482', '28922160', '10029935', '14530799', '16906789', '11403963']","['N06DX01', 'N06DA52', 'N06DA53']",D08174,6719,PA10364,,1679,,CHEMBL807,50062599,AKATINOL,64312,4054,CC12CC3CC(C)(C1)CC(N)(C3)C2,"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3",BUGYDGFZZOZRHP-UHFFFAOYSA-N
DB01044,112811-59-3,Gatifloxacin,"['approved', 'investigational']","['16510740', '16510739']","['S01AE06', 'J01MA16']",D08011,1546025,PA449738,,1280,,CHEMBL31,50117914,ZYMAXID,5280,4872633,COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1,"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)",XUBOMFCQGDBHNK-UHFFFAOYSA-N
DB01045,13292-46-1,Rifampicin,approved,18349144,"['J04AM02', 'J04AM06', 'J04AB02', 'J04AM07', 'J04AM05']",D00211,9384,PA451250,RFP,2377,ZINC000169621223,CHEMBL374478,50370232,EREMFAT,71365,136262914,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C,"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1",JQXXHWHPUNPDRT-WLSIYKJHSA-N
DB01046,136790-76-6,Lubiprostone,"['approved', 'investigational']","['19236188', '18686757', '17263187', '17519292']",A06AX03,D04790,623033,PA164777012,,,ZINC000004217732,CHEMBL1201134,,LUBIPROSTONE,,157920,[H][C@@]12CC(=O)[C@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)CCCC,"InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15-,17-,20-/m1/s1",WGFOBBZOWHGYQH-MXHNKVEKSA-N
DB01047,356-12-7,Fluocinonide,"['approved', 'investigational']",,"['D07CC05', 'D07AC08', 'C05AA11']",D00325,4462,PA449664,,1205,ZINC000003977978,CHEMBL1501,,FLUOCINONIDE,5109,9642,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O,"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1",WJOHZNCJWYWUJD-IUGZLZTKSA-N
DB01048,136470-78-5,Abacavir,"['approved', 'investigational']",17356469,"['J05AR13', 'J05AR02', 'J05AF06', 'J05AR04']",D07057,190521,PA448004,1KX,34,ZINC000002015928,CHEMBL1380,50366816,ABACAVIR SULFATE,421707,441300,NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1,"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1",MCGSCOLBFJQGHM-SCZZXKLOSA-N
DB01049,8067-24-1,Ergoloid mesylate,approved,"['9787282', '13209453', '3207855', '17941060', '2082953']",,D02268,4024,PA164752439,,,,,,,,,,,
DB01050,15687-27-1,Ibuprofen,approved,"['5353466', '12807998', '9864404', '16195368', '12723739', '8560525', '22043330', '16775229', '7041104', '16880317', '16240369', '20089905', '11315375', '10550887', '16550541', '10961664', '19203472', '1531054', '2777420', '19949916', '1352228', '1569234', '16136567', '22098129', '3777588', '12971028']","['R02AX02', 'G02CC01', 'N02AJ08', 'N02AJ19', 'M01AE51', 'M01AE01', 'M02AA13', 'C01EB16']",D00126,5640,PA449957,,1407,,CHEMBL521,50009859,SAREN,5855,3672,CC(C)CC1=CC=C(C=C1)C(C)C(O)=O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)",HEFNNWSXXWATRW-UHFFFAOYSA-N
DB01051,303-81-1,Novobiocin,"['vet_approved', 'approved', 'investigational']","['17876001', '17132020', '13303117', '13425410', '15811527']",,,7538,PA164768819,NOV,1974,ZINC000014879999,CHEMBL36506,282,NOVOBIOCIN,28368,54675769,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C,"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1",YJQPYGGHQPGBLI-KGSXXDOSSA-N
DB01053,61-33-6,Benzylpenicillin,"['vet_approved', 'approved']",16695494,"['J01CE01', 'J01CR50', 'J01CE08', 'S01AA14']",D02336,7980,PA450842,PNN,2082,ZINC000003871701,CHEMBL29,50022787,PENTIDS,18208,5904,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",JGSARLDLIJGVTE-MBNYWOFBSA-N
DB01054,39562-70-4,Nitrendipine,"['approved', 'investigational']",,"['C08CA08', 'C09BB06']",D00629,7441,PA146096020,,1947,,CHEMBL475534,50237611,BAYPRESS,7582,4507,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC,"InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3",PVHUJELLJLJGLN-UHFFFAOYSA-N
DB01055,500-44-7,Mimosine,experimental,,,,,PA164752445,MMS,1811,ZINC000000902159,CHEMBL245416,50198715,,77689,6971294,N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1",WZNJWVWKTVETCG-YFKPBYRVSA-N
DB01056,41708-72-9,Tocainide,approved,,C01BB03,D06172,42359,PA451706,,2686,,CHEMBL1762,,,9611,38945,CC(N)C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)",BUJAGSGYPOAWEI-UHFFFAOYSA-N
DB01057,6736-03-4,Echothiophate,approved,"['20673046', '7166393']",S01EB03,D02193,89778,PA164743139,,982,ZINC000001530628,CHEMBL1201341,,ECOTHIOPATE,4753,10548,CCOP(=O)(OCC)SCC[N+](C)(C)C,"InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1",BJOLKYGKSZKIGU-UHFFFAOYSA-N
DB01058,55268-74-1,Praziquantel,"['vet_approved', 'approved', 'investigational']","['18202444', '18978535']",P02BA01,D00471,8628,PA164764583,,2241,,CHEMBL976,74574,CYSTICIDE,91583,4891,O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1,"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2",FSVJFNAIGNNGKK-UHFFFAOYSA-N
DB01059,70458-96-7,Norfloxacin,approved,3111257,"['S01AE02', 'J01RA13', 'J01MA06']",D00210,7517,PA450654,,1967,ZINC000000003742,CHEMBL9,50045000,NORFLOXACIN,100246,4539,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",OGJPXUAPXNRGGI-UHFFFAOYSA-N
DB01060,26787-78-0,Amoxicillin,"['vet_approved', 'approved']","['29489203', '25089048', '23800901', '8584329', '4598841', '12461003', '4680813', '27330071', '27025527', '16434549']","['J01CR50', 'A02BD10', 'A02BD13', 'A02BD03', 'A02BD14', 'A02BD07', 'A02BD04', 'A02BD12', 'A02BD15', 'A02BD01', 'J01CA04', 'A02BD06', 'A02BD11', 'A02BD05']",D07452,1297882,PA448406,,192,ZINC000003830215,CHEMBL1082,50350464,MOXATAG,2676,40467057,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1",LSQZJLSUYDQPKJ-NJBDSQKTSA-N
DB01061,37091-66-0,Azlocillin,approved,10090000,"['J01CA09', 'J01CR50']",D02339,1266,PA164749135,,277,ZINC000003830261,CHEMBL1537,,,2956,6479523,[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1,"InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1",JTWOMNBEOCYFNV-NFFDBFGFSA-N
DB01062,5633-20-5,Oxybutynin,"['approved', 'investigational']","['27556018', '11678784', '7620236', '9516036', '20428289', '30248206', '3234461', '14606931', '11939551', '28608746', '21392072']",G04BD04,D00465,32675,PA164746030,,2028,,CHEMBL1231,50165019,POLLAKISU,144551,4634,CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3",XIQVNETUBQGFHX-UHFFFAOYSA-N
DB01063,2751-68-0,Acetophenazine,approved,"['702341', '6147851']",N05AB07,,16735,PA164781360,,59,ZINC000022446634,CHEMBL1085,82475,,2401,17676,CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1,"InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3",WNTYBHLDCKXEOT-UHFFFAOYSA-N
DB01064,7683-59-2,Isoprenaline,"['approved', 'investigational']","['20291309', '23266596', '678388', '20590599', '15406390', '8429110', '6630523', '31643996', '24683526', '17709598', '30252298', '4656607']","['R03CB01', 'R03AK02', 'R03AB02', 'R03CB51', 'C01CA02']",,6054,PA450121,,1499,,CHEMBL434,25392,ISOPROTERENOL,64317,3779,CC(C)NCC(O)C1=CC(O)=C(O)C=C1,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3",JWZZKOKVBUJMES-UHFFFAOYSA-N
DB01065,73-31-4,Melatonin,"['vet_approved', 'approved', 'nutraceutical']","['15992934', '7773197', '16217125', '11462772', '18187545', '15206778']",N05CH01,D08170,6711,PA164752558,ML1,1672,ZINC000000057060,CHEMBL45,9019,MELATONIN,16796,896,COC1=CC2=C(NC=C2CCNC(C)=O)C=C1,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",DRLFMBDRBRZALE-UHFFFAOYSA-N
DB01066,104145-95-1,Cefditoren,"['approved', 'investigational']",20566418,J01DD16,D01628,83682,PA164747187,,,ZINC000004215234,CHEMBL1743,,CEFDITOREN,59343,9870843,[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1",KMIPKYQIOVAHOP-YLGJWRNMSA-N
DB01067,29094-61-9,Glipizide,"['approved', 'investigational']","['6424440', '26322096', '23882374', '23071876', '6781341']",A10BB07,D00335,4821,PA449762,,1301,ZINC000000537795,CHEMBL1073,50012956,GLIPIZIDE,5384,3478,CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)",ZJJXGWJIGJFDTL-UHFFFAOYSA-N
DB01068,1622-61-3,Clonazepam,"['illicit', 'approved']","['1089913', '23256724', '2418652', '7782744', '2828624', '6089382', '458601', '1687613']",N03AE01,D00280,2598,PA449050,,703,ZINC000003813003,CHEMBL452,50019213,RIVOTRIL,3756,2802,[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1,"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",DGBIGWXXNGSACT-UHFFFAOYSA-N
DB01069,60-87-7,Promethazine,"['approved', 'investigational']","['6849764', '31643746', '24350243', '27315330', '22507664', '13318985', '31335081', '18886695', '25841474', '8946477', '25822385']","['D04AA10', 'R06AD02', 'V03AB05', 'R06AD52']",D00494,8745,PA451128,,2286,,CHEMBL643,50017696,PRONASE,8461,4927,CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3",PWWVAXIEGOYWEE-UHFFFAOYSA-N
DB01070,67-96-9,Dihydrotachysterol,approved,"['4365509', '6262039', '15585789', '3320562']",A11CC02,D00299,3429,PA164744345,,2841,ZINC000004212953,CHEMBL2356023,,DIHYDROTACHYSTEROL,4591,5311071,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C,"InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1",ILYCWAKSDCYMBB-OPCMSESCSA-N
DB01071,29216-28-2,Mequitazine,experimental,"['16568706', '9188930', '14987305', '9454781']",R06AD07,D01324,29528,PA164748010,,1707,,CHEMBL73451,430669,,31821,4066,C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2",HOKDBMAJZXIPGC-UHFFFAOYSA-N
DB01072,198904-31-3,Atazanavir,"['approved', 'investigational']","['16176117', '19496633', '16266202', '20116610', '15585441', '18389089']","['J05AR23', 'J05AE08', 'J05AR15']",D07471,343047,PA10251,DR7,254,ZINC000003941496,CHEMBL1163,13934,ATAZANAVIR,37924,148192,COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,"InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1",AXRYRYVKAWYZBR-GASGPIRDSA-N
DB01073,21679-14-1,Fludarabine,approved,"['11114313', '12969985', '9698219']",L01BB05,D01907,24698,PA449655,,,ZINC000004216238,CHEMBL1568,68391,,94701,657237,NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1",HBUBKKRHXORPQB-FJFJXFQQSA-N
DB01074,6621-47-2,Perhexiline,"['approved', 'investigational']",,C08EX02,,8050,PA130150436,,2106,,CHEMBL75880,61402,PERHEXILINE,35553,4746,C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1,"InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2",CYXKNKQEMFBLER-UHFFFAOYSA-N
DB01075,58-73-1,Diphenhydramine,"['approved', 'investigational']","['25493135', '11835984', '16680933', '17020955', '22337782', '2866055', '15023018', '4329456']","['R06AA02', 'D04AA33', 'D04AA32', 'R06AA52']",D00300,3498,PA449349,2PM,916,ZINC000000020244,CHEMBL657,50017674,RESTAMIN,4636,3100,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3",ZZVUWRFHKOJYTH-UHFFFAOYSA-N
DB01076,134523-00-5,Atorvastatin,approved,"['22085316', '30969322', '11385505', '12686673', '25591572', '7942524', '31327478', '20847985', '12114036', '5539274', '28658127', '28613530', '19474787', '16198652', '22607822', '10503952', '14531725', '23440795', '18997196', '7968073', '26648697', '23047648', '25415541', '3069436', '17620856', '11298482', '9841303', '15822172', '15007110', '27712954', '12860216', '16287954']","['C10BX15', 'C10BX11', 'C10BX12', 'C10BX03', 'C10AA05', 'C10BX06', 'C10BX08', 'C10BA05']",D07474,1483793,PA448500,117,257,ZINC000003920719,CHEMBL1487,22164,ATORVASTATIN CALCIUM HYDRATE,39548,60823,CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",XUKUURHRXDUEBC-KAYWLYCHSA-N
DB01077,2809-21-4,Etidronic acid,approved,"['30650219', '7858370', '9145236', '8573422', '21555003', '18214569']","['M05BB01', 'M05BA01']",D02373,1356715,PA449548,911,1098,ZINC000003830813,CHEMBL871,50115102,ETIDRONATE DISODIUM,4907,3305,CC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)",DBVJJBKOTRCVKF-UHFFFAOYSA-N
DB01078,17598-65-1,Deslanoside,approved,,C01AA07,D01240,3248,PA164747478,,813,ZINC000253668332,CHEMBL1614,,,31468,28620,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1,"InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1",OBATZBGFDSVCJD-LALPQLPRSA-N
DB01079,145158-71-0,Tegaserod,"['withdrawn', 'approved', 'investigational']","['17040359', '11877320', '11560869', '15466450']",A06AX06,D06056,139778,PA130413154,,2579,ZINC000001545565,CHEMBL76370,50248157,ZELNORM,51043,135409453,CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2,"InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+",IKBKZGMPCYNSLU-RGVLZGJSSA-N
DB01080,68506-86-5,Vigabatrin,approved,"['2757904', '29280765', '8719918', '23118657', '9278207', '11682253']",N03AG04,D00535,14851,PA10231,,2819,,CHEMBL89598,50118886,SABRIL,63638,5665,NC(CCC(O)=O)C=C,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",PJDFLNIOAUIZSL-UHFFFAOYSA-N
DB01081,915-30-0,Diphenoxylate,"['illicit', 'approved']",,A07DA01,D00301,3500,PA164746539,,918,ZINC000003830716,CHEMBL1201294,50401672,DIPHENOXYLATE HYDROCHLORIDE,4639,13505,CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3",HYPPXZBJBPSRLK-UHFFFAOYSA-N
DB01082,57-92-1,Streptomycin,"['vet_approved', 'approved']","['31082149', '30993373', '30413565', '2426712', '6794444', '3325794', '25645838', '30113694', '4577795', '3013085', '27506599', '16695303', '32310346', '343106', '27386243', '17660832', '31643557', '30447062']","['J04AM01', 'J01GA01', 'A07AA04', 'A07AA54']",,10109,PA451512,SRY,2481,ZINC000008214681,CHEMBL372795,50103513,STREPTOMYCIN SULFATE,17076,19649,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O,"InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",UCSJYZPVAKXKNQ-HZYVHMACSA-N
DB01083,96829-58-2,Orlistat,"['approved', 'investigational']","['16767304', '8626884', '9225172', '8973989', '11728255', '12007529', '14693982', '15870086', '10551441', '18200802', '32297119', '11261530', '15563254', '16377080']",A08AB01,,37925,PA164776864,,1996,ZINC000008214635,CHEMBL175247,24567,XENICAL,94686,3034010,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,"InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1",AHLBNYSZXLDEJQ-FWEHEUNISA-N
DB01084,87233-61-2,Emedastine,approved,,S01GX06,D07890,28144,PA164751802,,999,ZINC000001530912,CHEMBL594,50019624,EMEDASTINE DIFUMARATE,4779,3219,CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1,"InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3",KBUZBQVCBVDWKX-UHFFFAOYSA-N
DB01085,92-13-7,Pilocarpine,"['approved', 'investigational']",,"['S01EB01', 'N07AX01', 'S01EB51']",D00525,8328,PA450962,9PL,2166,ZINC000000075008,CHEMBL550,50008072,OCUSERT PILO,8207,5910,CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O,"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1",QCHFTSOMWOSFHM-WPRPVWTQSA-N
DB01086,94-09-7,Benzocaine,"['approved', 'investigational']","['25010377', '26061572', '20289484', '28879311', '27754990', '17377783', '17175824', '15197044', '19661462', '31082097']","['R02AD01', 'C05AD03', 'D04AB04', 'N01BA05']",D00552,1399,PA448576,,323,ZINC000012358719,CHEMBL278172,197282,FLAVAMED,116735,2337,CCOC(=O)C1=CC=C(N)C=C1,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",BLFLLBZGZJTVJG-UHFFFAOYSA-N
DB01087,90-34-6,Primaquine,approved,"['4027117', '5686480', '12451431', '16968913', '11181487', '13242948', '8828017']",P01BA03,,8687,PA451103,,2266,,CHEMBL506,71542,PRIMAQUINE PHOSPHATE,8405,4908,COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1,"InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3",INDBQLZJXZLFIT-UHFFFAOYSA-N
DB01088,78919-13-8,Iloprost,"['approved', 'investigational']",,B01AC11,,40138,PA164746843,,1422,,CHEMBL494,23954,VENTAVIS,63916,5311181,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O,"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1",HIFJCPQKFCZDDL-ACWOEMLNSA-N
DB01089,131-01-1,Deserpidine,approved,,"['C02LA03', 'C02AA05']",D08194,62174,PA164742966,,810,ZINC000004097186,CHEMBL1200515,50480272,,27478,8550,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2,"InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1",CVBMAZKKCSYWQR-WCGOZPBSSA-N
DB01090,144-44-5,Pentolinium,approved,,,,,PA164777033,,2096,ZINC000002041380,CHEMBL1271,,,347401,5850,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,"InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2",XSBSKEQEUFOSDD-UHFFFAOYSA-N
DB01091,101828-21-1,Butenafine,approved,"['11249531', '18624686', '11709307', '8494375', '12432425', '9530545', '9646136']",D01AE23,D07596,47461,PA164745478,,444,ZINC000001530975,CHEMBL990,50436713,BUTENAFINE,3238,2484,CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12,"InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3",ABJKWBDEJIDSJZ-UHFFFAOYSA-N
DB01092,630-60-4,Ouabain,approved,"['1648735', '11929882', '15009217', '12763919', '8033829']",C01AC01,D00112,7762,PA163522138,OBN,2004,ZINC000008143614,CHEMBL222863,50286739,OUABAIN,472805,439501,[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",LPMXVESGRSUGHW-HBYQJFLCSA-N
DB01093,67-68-5,Dimethyl sulfoxide,"['vet_approved', 'approved']",,"['G04BX13', 'M02AX03']",D01043,3455,PA449342,DMS,906,ZINC000005224188,CHEMBL504,50026472,SQ 9453,28262,679,CS(C)=O,InChI=1S/C2H6OS/c1-4(2)3/h1-2H3,IAZDPXIOMUYVGZ-UHFFFAOYSA-N
DB01094,520-33-2,Hesperetin,experimental,,,,1314255,PA164742902,6JP,1362,ZINC000000039092,CHEMBL399121,23418,,28230,72281,COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1",AIONOLUJZLIMTK-AWEZNQCLSA-N
DB01095,93957-54-1,Fluvastatin,approved,19663817,C10AA04,D07983,41127,PA449688,115,1229,,CHEMBL2220442,,LESCOL,38562,5353627,CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1,"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+",FJLGEFLZQAZZCD-VAWYXSNFSA-N
DB01096,21738-42-1,Oxamniquine,approved,17134907,P02BA02,D00460,7778,PA164748782,,2009,,CHEMBL847,,,78416,4612,CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O,"InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3",XCGYUJZMCCFSRP-UHFFFAOYSA-N
DB01097,75706-12-6,Leflunomide,"['approved', 'investigational']","['15189743', '10878294', '9666414', '1060033', '12003373', '11053058', '10878295', '10890256']",L04AA13,D00749,27169,PA450192,,1552,ZINC000000004840,CHEMBL960,50054601,ARAVA,6402,3899,CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)",VHOGYURTWQBHIL-UHFFFAOYSA-N
DB01098,287714-41-4,Rosuvastatin,approved,"['16697742', '22085316', '30969322', '15914111', '17585018', '11385505', '11375257', '17916773', '12031849', '12860216', '31327478', '14667956', '20104931', '20026779', '16533939', '20847985', '12114036', '12451430', '5539274', '14693307', '19474787', '16198652', '22607822', '10503952', '17473846', '23440795', '18997196', '26648697', '23047648', '25415541', '15625301', '17620856', '14602449', '25630984', '9841303', '15822172', '15007110', '27712954', '14585629', '11256847', '12354446']","['C10BX05', 'C10BX16', 'C10BX10', 'C10AA07', 'G01AE10', 'C10BX13', 'C10BX09', 'C10BA06', 'C10BX14', 'C10BX17', 'C10BX07', 'C10BA09', 'A10BH52']",D08492,301542,PA134308647,FBI,2406,ZINC000001535101,CHEMBL1496,18372,CRESTOR,38545,446157,CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O,"InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1",BPRHUIZQVSMCRT-VEUZHWNKSA-N
DB01099,2022-85-7,Flucytosine,"['approved', 'investigational']",,"['J02AX01', 'D01AE21']",D00323,4451,PA449654,1LD,1188,ZINC000000896546,CHEMBL1463,50248003,RO-2-9915,5100,3366,NC1=C(F)C=NC(=O)N1,"InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)",XRECTZIEBJDKEO-UHFFFAOYSA-N
DB01100,2062-78-4,Pimozide,approved,,N05AG02,D00560,8331,PA450965,,2172,ZINC000004175630,CHEMBL1423,50334150,PIMOZIDE,8212,16362,FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1,"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)",YVUQSNJEYSNKRX-UHFFFAOYSA-N
DB01101,154361-50-9,Capecitabine,"['approved', 'investigational']","['11291832', '15763604', '15280932', '11585973', '12515569', '18794792']",L01BC06,D01223,194000,PA448771,,480,ZINC000003806413,CHEMBL1773,,CAPECITABINE ACCORD,31348,60953,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O,"InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1",GAGWJHPBXLXJQN-UORFTKCHSA-N
DB01102,128470-16-6,Arbutamine,approved,,C01CA22,D02976,61609,PA164747979,,237,,CHEMBL1201251,,,50580,60789,O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1",IIRWWTKISYTTBL-SFHVURJKSA-N
DB01103,83-89-6,Quinacrine,investigational,"['16623930', '6109672', '17072963', '6136433', '1839351']",P01AX05,D08179,9061,PA164745551,,2338,,CHEMBL7568,50015214,QUINACRINE,8711,237,CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2,"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",GPKJTRJOBQGKQK-UHFFFAOYSA-N
DB01104,79617-96-2,Sertraline,approved,"['12452737', '8573661', '27432886', '8808373', '8831113', '9307345', '1281075', '25155462', '30544429', '2842321', '10770145', '10211919', '20091586', '20021354', '21963369', '9643617', '9786310', '7859236']",N06AB06,D02360,36437,PA451333,SRE,2436,ZINC000001853550,CHEMBL809,50028094,SERTRALINE,9123,68617,CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,"InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1",VGKDLMBJGBXTGI-SJCJKPOMSA-N
DB01105,106650-56-0,Sibutramine,"['withdrawn', 'illicit', 'approved', 'investigational']","['19475780', '9130038', '9758240', '18671470']",A08AA10,D08513,36514,PA451344,,2440,,CHEMBL1419,84742,BTS-54524,9137,5210,CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1,"InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3",UNAANXDKBXWMLN-UHFFFAOYSA-N
DB01106,79516-68-0,Levocabastine,"['approved', 'investigational']",,"['S01GX02', 'R01AC02']",D01717,28627,PA164742988,,1564,ZINC000100089496,CHEMBL1615438,50019405,LIVOSTIN,135679,,C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)[C@H]1CC[C@](CC1)(C#N)C1=CC=C(F)C=C1,"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1",ZCGOMHNNNFPNMX-KYTRFIICSA-N
DB01107,125-64-4,Methyprylon,"['withdrawn', 'illicit', 'approved']","['16792', '1686463', '2866242']",N05CE02,D01150,6910,PA164746748,,1774,,CHEMBL1200790,,,31837,4162,CCC1(CC)C(=O)NCC(C)C1=O,"InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)",SIDLZWOQUZRBRU-UHFFFAOYSA-N
DB01108,13647-35-3,Trilostane,"['withdrawn', 'vet_approved', 'approved', 'investigational']",233687,H02CA01,D01180,38668,PA164748507,,2746,ZINC000100038546,CHEMBL1200907,50247882,WIN-24540,32260,656583,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]23O[C@@H]2C(O)=C(C[C@]13C)C#N,"InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1",KVJXBPDAXMEYOA-CXANFOAXSA-N
DB01109,9005-49-6,Heparin,"['approved', 'investigational']","['2331699', '6889041', '15383472', '10549711', '10201371', '7188569', '6810084', '8352752', '7254945', '11760916']","['C05BA03', 'C05BA53', 'B01AB51', 'B01AB01', 'S01XA14']",,5224,PA449855,,,,,,,,,,,
DB01110,22916-47-8,Miconazole,"['vet_approved', 'approved', 'investigational']","['11808824', '25376919', '21768514', '185515', '4897900', '15155241', '22568580', '8557388', '31287594', '12234832', '17553796', '6364994']","['D01AC52', 'G01AF04', 'J02AB01', 'A07AC01', 'S02AA13', 'D01AC02', 'A01AB09', 'G01AF20']",D00882,6932,PA450494,,1800,,CHEMBL91,31772,MICONAZOLE,82892,4189,ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2",BYBLEWFAAKGYCD-UHFFFAOYSA-N
DB01111,12705-41-8,Colistimethate,"['vet_approved', 'approved']",,,,2708,PA164749509,,,,,,,,70789202,CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS([O-])(=O)=O)NC1=O)C(C)O,"InChI=1S/C58H110N16O28S5/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)/p-5",BSSIRFLGSWHWDE-UHFFFAOYSA-I
DB01112,55268-75-2,Cefuroxime,approved,8799689,"['S01AA27', 'J01RA03', 'J01DC02']",D00262,2194,PA448868,KOV,565,ZINC000003871978,CHEMBL1436,50422689,KEFUROX,3515,5479529,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1",JFPVXVDWJQMJEE-IZRZKJBUSA-N
DB01113,58-74-2,Papaverine,"['approved', 'investigational']","['16159054', '15519189', '15457029']","['A03AD01', 'G04BE02', 'G04BE52']",D07425,7895,PA164745550,EV1,2056,ZINC000000056555,CHEMBL19224,14754,PAPAVERINE HYDROCHLORIDE,28241,4680,COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",XQYZDYMELSJDRZ-UHFFFAOYSA-N
DB01114,132-22-9,Chlorpheniramine,approved,,"['R06AB04', 'R06AB54']",D07398,2400,PA448960,,616,,CHEMBL505,35938,EFIDAC,52010,2725,CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",SOYKEARSMXGVTM-UHFFFAOYSA-N
DB01115,21829-25-4,Nifedipine,approved,"['28611661', '6529535', '27106837', '28270844', '4622472', '3740090', '6862586', '2890954', '3416517', '3503594', '2872322', '30725737']","['C08CA55', 'C07FB03', 'C08GA01', 'C08CA05']",D00437,7417,PA450631,C5U,1922,ZINC000085205448,CHEMBL193,50101817,NIFEDIPINE,7565,4485,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC,"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3",HYIMSNHJOBLJNT-UHFFFAOYSA-N
DB01116,7187-66-8,Trimethaphan,"['approved', 'investigational']",,C02BA01,,10828,PA451784,,2752,,CHEMBL1201329,82545,TRIMETAPHAN CAMSILATE,9728,23576,O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1,"InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1",CHQOEHPMXSHGCL-UHFFFAOYSA-N
DB01117,95233-18-4,Atovaquone,approved,,P01AX06,D00236,60212,PA448502,AOQ,258,ZINC000116473771,CHEMBL1450,,MEPRON,575568,,OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-",KUCQYCKVKVOKAY-CTYIDZIISA-N
DB01118,1951-25-3,Amiodarone,"['approved', 'investigational']","['7426165', '6370540', '6613843', '5485142', '21398391', '6368644', '21123845', '24489787', '1753010', '1364834', '7753695', '793369', '23148177', '11159805', '6175810']",C01BD01,D02910,703,PA448383,BBI,176,ZINC000003830212,CHEMBL633,18957,SKF 33134-A,2663,2157,CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2,"InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3",IYIKLHRQXLHMJQ-UHFFFAOYSA-N
DB01119,364-98-7,Diazoxide,approved,772431,"['V03AH01', 'C02DA01', 'G01AE10']",D00294,3327,PA449285,20J,854,ZINC000003872277,CHEMBL181,50237612,DIAZOXIDE CHOLINE,4495,3019,CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2,"InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)",GDLBFKVLRPITMI-UHFFFAOYSA-N
DB01120,21187-98-4,Gliclazide,approved,2106423,A10BB09,D01599,4816,PA10892,GCZ,1299,ZINC000012461841,,,,,667431,[H][C@@]12CCC[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,"InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+",BOVGTQGAOIONJV-BETUJISGSA-N
DB01121,63-98-9,Phenacemide,approved,"['3683877', '3508693']",N03AX07,D00504,33253,PA164745309,,2114,ZINC000000001916,CHEMBL918,50240044,,8049,4753,NC(=O)NC(=O)CC1=CC=CC=C1,"InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)",XPFRXWCVYUEORT-UHFFFAOYSA-N
DB01122,7648-98-8,Ambenonium,approved,,N07AA30,,623,PA164764601,,146,ZINC000003995599,CHEMBL1652,50262988,,2627,2131,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl,"InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2",OMHBPUNFVFNHJK-UHFFFAOYSA-P
DB01123,92-62-6,Proflavine,approved,,,,8723,PA164748742,PRL,2277,ZINC000003775644,CHEMBL55400,12590,PROFLAVINE,8452,7099,NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N
DB01124,64-77-7,Tolbutamide,"['approved', 'investigational']",19515014,"['V04CA01', 'A10BB03']",D00380,10635,PA451718,,2696,ZINC000001530703,CHEMBL782,50027886,TOLBUTAMIDE,27999,5505,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",JLRGJRBPOGGCBT-UHFFFAOYSA-N
DB01125,117-37-3,Anisindione,approved,13652026,,D07457,17941,PA164746467,,222,ZINC000100015486,CHEMBL712,50280155,,133809,2197,COC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3",XRCFXMGQEVUZFC-UHFFFAOYSA-N
DB01126,164656-23-9,Dutasteride,"['approved', 'investigational']","['19707263', '6155068', '10073740', '15757426', '18318566', '22500150', '19091347', '27549867', '12657354', '16985831', '14565784', '28294070']","['G04CB02', 'G04CA52']",D03820,228790,PA164749300,,973,ZINC000003932831,CHEMBL1200969,50340481,GI-198745,521033,6918296,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F,"InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1",JWJOTENAMICLJG-QWBYCMEYSA-N
DB01127,27220-47-9,Econazole,approved,,"['G01AF20', 'G01AF55', 'D01AC03', 'G01AF05']",D03936,3743,PA164746010,,983,,CHEMBL808,31773,ECONAZOLE NITRATE,82873,3198,ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2",LEZWWPYKPKIXLL-UHFFFAOYSA-N
DB01128,90357-06-5,Bicalutamide,approved,,"['L02BB03', 'L02AE51']",D00961,83008,PA164746255,,367,,CHEMBL409,18525,CASODEX,144093,2375,CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)",LKJPYSCBVHEWIU-UHFFFAOYSA-N
DB01129,117976-89-3,Rabeprazole,"['approved', 'investigational']",,"['M01AA05', 'A02BC04', 'M02AA03', 'A02BD13', 'A02BC54', 'A02BD12']",D08463,114979,PA451216,,2350,,CHEMBL1219,,RABEPRAZOLE SODIUM,8768,5029,COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1,"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)",YREYEVIYCVEVJK-UHFFFAOYSA-N
DB01130,73771-04-7,Prednicarbate,"['approved', 'investigational']",15657633,D07AC18,,34369,PA164749394,,2243,ZINC000003938652,CHEMBL1200386,,HOE-777,135791,6714002,[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",FNPXMHRZILFCKX-KAJVQRHHSA-N
DB01131,500-92-5,Proguanil,approved,,"['P01BB51', 'P01BB01']",,2382,PA451124,,2282,ZINC000095452610,CHEMBL1377,50227829,CHLOROGUANIDE,8455,5353897,CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C=C1,"InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)",SSOLNOMRVKKSON-UHFFFAOYSA-N
DB01132,111025-46-8,Pioglitazone,"['approved', 'investigational']","['26940171', '25450819', '19515014']","['A10BD09', 'A10BD06', 'A10BD05', 'A10BD12', 'A10BG03']",D08378,33738,PA450970,,2179,,CHEMBL595,50103521,PIOGLITAZONE,8228,4829,CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)",HYAFETHFCAUJAY-UHFFFAOYSA-N
DB01133,89987-06-4,Tiludronic acid,"['vet_approved', 'approved', 'investigational']","['30650219', '30555553', '9145236', '8573422', '22652318', '3073800', '18214569']",M05BA05,,57230,PA451688,,2666,ZINC000001531010,CHEMBL1350,50442524,TILUDRONIC ACID,9598,60937,OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O,"InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)",DKJJVAGXPKPDRL-UHFFFAOYSA-N
DB01134,808-48-0,Desoxycorticosterone pivalate,"['experimental', 'vet_approved']",,,,22537,PA449245,,822,ZINC000004082455,CHEMBL1200592,,,50782,11876263,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C,"InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1",VVOIQBFMTVCINR-WWMZEODYSA-N
DB01135,106791-39-3,Doxacurium,approved,9605239,M03AC07,D00760,23651,PA164744927,,,,CHEMBL1237123,,,,60169,COC1=CC(CC2C3=C(OC)C(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C(OC)=C3C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,"InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2",GBLRQXKSCRCLBZ-UHFFFAOYSA-N
DB01136,72956-09-3,Carvedilol,"['approved', 'investigational']","['9824960', '22293344', '7914479', '9280405']","['C07AG02', 'C07FX06']",D00255,20352,PA448817,,522,,CHEMBL723,25759,KREDEX,3441,2585,COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2,"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3",OGHNVEJMJSYVRP-UHFFFAOYSA-N
DB01137,100986-85-4,Levofloxacin,"['approved', 'investigational']","['22970772', '17274666', '9068926', '15482135', '27853934', '27550354', '21261881', '28550055']","['J01RA05', 'S01AE05', 'A02BD10', 'J01MA12']",D08120,82122,PA450214,LFX,1569,ZINC000000538273,CHEMBL33,50366826,IQUIX,63598,149096,C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1",GSDSWSVVBLHKDQ-JTQLQIEISA-N
DB01138,57-96-5,Sulfinpyrazone,approved,"['4616423', '14592561', '7000488', '2407421']",M04AB02,D00449,10205,PA451550,,2528,,CHEMBL832,50237626,,9342,5342,O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",MBGGBVCUIVRRBF-UHFFFAOYSA-N
DB01139,21593-23-7,Cefapirin,"['vet_approved', 'approved']",,J01DB08,,2238,PA164749340,,575,ZINC000003830511,CHEMBL1599,50370592,CEPHAPIRIN,554446,30699,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1",UQLLWWBDSUHNEB-CZUORRHYSA-N
DB01140,50370-12-2,Cefadroxil,"['withdrawn', 'vet_approved', 'approved']",,J01DB05,D00257,1545975,PA448835,,526,ZINC000003830391,CHEMBL1644,50350467,CEFADROXIL,3479,47965,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1",BOEGTKLJZSQCCD-UEKVPHQBSA-N
DB01141,235114-32-6,Micafungin,"['approved', 'investigational']","['16990627', '20606829', '20054447', '17661660', '17516879', '15882123', '16960253', '19724014', '17504145', '16575738']",J02AX05,D02465,325887,PA164781026,,1798,,CHEMBL457547,50478216,FK-463,600520,477468,CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O,"InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1",PIEUQSKUWLMALL-YABMTYFHSA-N
DB01142,1668-19-5,Doxepin,"['approved', 'investigational']","['7293791', '25364337', '17685877', '9788530', '30000240']","['N06AA12', 'D04AX01']",D07875,3638,PA449409,,956,,CHEMBL1628227,,DOXEPIN,4710,3158,[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3",ODQWQRRAPPTVAG-UHFFFAOYSA-N
DB01143,20537-88-6,Amifostine,"['approved', 'investigational']",10553165,V03AF05,,1545987,PA448365,,156,ZINC000021992285,CHEMBL1006,,YM-08310,2636,29927142,NCCCNCCSP(O)(O)=O,"InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)",JKOQGQFVAUAYPM-UHFFFAOYSA-N
DB01144,120-97-8,Diclofenamide,"['approved', 'investigational']","['10632100', '1364383']","['S01EC02', 'G01AE10']",D00518,3353,PA164745512,I7A,864,ZINC000000896918,CHEMBL17,10883,DICLOFENAMIDE,101085,3038,NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O,"InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)",GJQPMPFPNINLKP-UHFFFAOYSA-N
DB01145,144-76-3,Sulfoxone,approved,,J04BA03,,,PA164776911,,,ZINC000018268128,CHEMBL1570,,,135651,5351,OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1,"InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)",NEDPPCHNEOMTJV-UHFFFAOYSA-N
DB01146,147-20-6,Diphenylpyraline,"['approved', 'investigational']","['11137513', '14039', '15627433']","['R06AA57', 'R06AA07']",D07862,23386,PA164746377,,920,ZINC000000056643,CHEMBL1492,50241333,,59788,3103,CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3",OWQUZNMMYNAXSL-UHFFFAOYSA-N
DB01147,61-72-3,Cloxacillin,"['vet_approved', 'approved', 'investigational']","['7447421', '1031216', '825029', '32100322']","['J01CR50', 'J01CF02']",,2625,PA449059,CXN,720,ZINC000003875417,CHEMBL891,50022788,CLOXAPEN,49566,6098,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C(O)=O,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",LQOLIRLGBULYKD-JKIFEVAISA-N
DB01148,15301-69-6,Flavoxate,approved,,G04BD02,,4440,PA164781386,,1175,ZINC000000608382,CHEMBL1493,,FLAVOXATE,5088,3354,CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1,"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3",SPIUTQOUKAMGCX-UHFFFAOYSA-N
DB01149,83366-66-9,Nefazodone,"['withdrawn', 'approved']",9098663,N06AX06,D08257,31565,PA450603,,1890,ZINC000000538065,CHEMBL623,50069447,NEFAZODONE,7494,4449,CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1,"InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3",VRBKIVRKKCLPHA-UHFFFAOYSA-N
DB01150,92665-29-7,Cefprozil,approved,,J01DC10,,1546020,PA164746342,,556,,CHEMBL3301800,,CEFPROZIL MONOHYDRATE,3506,62977,[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1",WDLWHQDACQUCJR-PBFPGSCMSA-N
DB01151,50-47-5,Desipramine,"['approved', 'investigational']",,N06AA01,D07791,3247,PA449233,DSM,812,ZINC000001530611,CHEMBL72,35229,PERTOFRANE,47781,2995,CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3",HCYAFALTSJYZDH-UHFFFAOYSA-N
DB01152,1403-17-4,Candicidin,"['withdrawn', 'approved']",,G01AA04,D03347,,PA164754911,,4424,,CHEMBL1200647,,LEVORIN,3349,10079874,CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(O)CC(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1C)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1,"InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59?/m1/s1",OPGSFDUODIJJGF-JBUZINEHSA-N
DB01153,99592-32-2,Sertaconazole,"['approved', 'investigational']",,"['D01AC14', 'G01AF19', 'G01AF20']",,36435,PA164748328,,2434,,CHEMBL1201196,50051842,SERTACONAZOLE,83682,65863,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2",JLGKQTAYUIMGRK-UHFFFAOYSA-N
DB01154,77-27-0,Thiamylal,"['vet_approved', 'approved']",,N05CB01,D06106,10464,PA164746997,,2626,,CHEMBL440,,,9536,3032285,CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,"InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",XLOMZPUITCYLMJ-UHFFFAOYSA-N
DB01155,175463-14-6,Gemifloxacin,"['approved', 'investigational']",,J01MA15,D08012,138099,PA10088,,1286,,CHEMBL430,50178917,GEMIFLOXACIN,101853,9571107,CO\N=C1/CN(CC1CN)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,"InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+",ZRCVYEYHRGVLOC-HYARGMPZSA-N
DB01156,34911-55-2,Bupropion,approved,"['15652242', '10991997', '27671323', '27141292', '15361919', '1900980', '16974189', '9541153', '20673995', '23728690', '23924756', '9862757', '19497387', '16554526', '20926200', '16086611', '12109932', '16027765', '16052243', '1684162', '30203327', '28220701', '29630702']","['N06AX12', 'A08AA62']",D07591,42347,PA448687,,435,,CHEMBL894,50048392,MYSIMBA,3219,444,CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1,"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3",SNPPWIUOZRMYNY-UHFFFAOYSA-N
DB01157,52128-35-5,Trimetrexate,"['approved', 'investigational']",,P01AX07,D06238,42333,PA451790,TMQ,2757,ZINC000000598852,CHEMBL119,18268,NEUTREXIN,,5583,COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC,"InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)",NOYPYLRCIDNJJB-UHFFFAOYSA-N
DB01158,59-41-6,Bretylium,approved,,C01BD02,D00645,19685,PA448662,,,ZINC000000001041,CHEMBL1199080,50239966,,3172,2431,CC[N+](C)(C)CC1=CC=CC=C1Br,"InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1",AAQOQKQBGPPFNS-UHFFFAOYSA-N
DB01159,151-67-7,Halothane,"['vet_approved', 'approved']",18175089,N01AB01,D00542,5095,PA449845,HLT,1356,,CHEMBL931,50112212,HALOTHANE,5615,3562,[H]C(Cl)(Br)C(F)(F)F,"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H",BCQZXOMGPXTTIC-UHFFFAOYSA-N
DB01160,38562-01-5,Dinoprost tromethamine,"['vet_approved', 'approved']",,,D01352,23321,PA164781385,,,,CHEMBL1200896,,,31502,71684398,NC(CO)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1",IYGXEHDCSOYNKY-RZHHZEQLSA-N
DB01161,133-16-4,Chloroprocaine,approved,,N01BA04,D07678,20859,PA448946,,605,ZINC000001530938,CHEMBL1179047,50239963,CLOROTEKAL,3636,8612,CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1,"InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3",VDANGULDQQJODZ-UHFFFAOYSA-N
DB01162,63590-64-7,Terazosin,approved,"['2872802', '14767264', '10503165', '23518907', '11170131']",G04CA03,D08569,37798,PA451612,,3584,,CHEMBL611,50033111,TERAZOSIN,9445,5401,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1,"InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)",VCKUSRYTPJJLNI-UHFFFAOYSA-N
DB01163,32887-01-7,Amdinocillin,"['withdrawn', 'investigational']",6311012,J01CA11,D02888,626,PA164754807,,1648,,CHEMBL356512,,,51208,36273,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])N1CCCCCC1,"InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/b16-9+/t10-,11+,13-/m1/s1",BWWVAEOLVKTZFQ-ISVUSNJMSA-N
DB01164,10043-52-4,Calcium chloride,approved,,"['B05XA07', 'G04BA03', 'A11GB01', 'A12AA07']",,1667640,PA448729,,,,CHEMBL1200668,,E-509,3312,24854,[Cl-].[Cl-].[Ca++],InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2,UXVMQQNJUSDDNG-UHFFFAOYSA-L
DB01165,82419-36-1,Ofloxacin,approved,,"['J01MA01', 'J01RA09', 'S02AA16', 'S01AE01']",D00453,7623,PA450684,,1981,,CHEMBL4,50045004,HOE-280,194135,3288597,CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)",GSDSWSVVBLHKDQ-UHFFFAOYSA-N
DB01166,73963-72-1,Cilostazol,"['approved', 'investigational']",,B01AC23,D01896,21107,PA164746334,,644,ZINC000001552174,CHEMBL799,50225508,OPC-13013,31401,2754,O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2,"InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)",RRGUKTPIGVIEKM-UHFFFAOYSA-N
DB01167,84625-61-6,Itraconazole,"['approved', 'investigational']",,J02AC02,D00350,28031,PA450132,,1513,,CHEMBL22587,50127138,,6076,55283,CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1",VHVPQPYKVGDNFY-ZPGVKDDISA-N
DB01168,671-16-9,Procarbazine,"['approved', 'investigational']",,L01XB01,D08423,8702,PA451112,,2272,ZINC000019166988,CHEMBL1321,50247906,PROCARBAZINE HYDROCHLORIDE,71417,4915,CNNCC1=CC=C(C=C1)C(=O)NC(C)C,"InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)",CPTBDICYNRMXFX-UHFFFAOYSA-N
DB01169,1327-53-3,Arsenic trioxide,"['approved', 'investigational']",17640917,L01XX27,D02106,18330,PA448486,,244,,CHEMBL1200978,,,,261004,O=[As]O[As]=O,InChI=1S/As2O3/c3-1-5-2-4,IKWTVSLWAPBBKU-UHFFFAOYSA-N
DB01170,55-65-2,Guanethidine,approved,,"['S01EX01', 'C02LF01', 'C02CC02']",D02237,5036,PA449823,,1342,ZINC000001530648,CHEMBL765,50239969,,5557,3518,NC(N)=NCCN1CCCCCCC1,"InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)",ACGDKVXYNVEAGU-UHFFFAOYSA-N
DB01171,71320-77-9,Moclobemide,"['approved', 'investigational']","['7781267', '12968990', '12595913']",N06AG02,D02561,30121,PA452615,,1825,ZINC000019606670,CHEMBL86304,15613,MOCLOBEMIDE,83531,4235,ClC1=CC=C(C=C1)C(=O)NCCN1CCOCC1,"InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)",YHXISWVBGDMDLQ-UHFFFAOYSA-N
DB01172,59-01-8,Kanamycin,"['vet_approved', 'approved', 'investigational']",,"['A07AA08', 'J01GB04', 'S01AA24']",,6099,PA450137,KAN,1519,ZINC000008214590,CHEMBL1384,50031282,KANAMYCIN,17630,6032,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1",SBUJHOSQTJFQJX-NOAMYHISSA-N
DB01173,83-98-7,Orphenadrine,approved,15662845,"['M03BC51', 'M03BC01', 'N04AB02']",D08305,7715,PA450715,,1999,,CHEMBL900,50062614,ORPHENADRINE,7789,4601,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C,"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3",QVYRGXJJSLMXQH-UHFFFAOYSA-N
DB01174,50-06-6,Phenobarbital,"['approved', 'investigational']","['12535420', '11687150', '16142991', '26496779', '15329080', '15495087']","['N03AA02', 'N05CB01']",D00506,8134,PA450911,UQA,2134,ZINC000095588079,CHEMBL40,50021437,PHENOBARBITAL,8069,4763,CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)",DDBREPKUVSBGFI-UHFFFAOYSA-N
DB01175,128196-01-0,Escitalopram,approved,"['26944656', '16421462', '16834832', '15367045', '11454728', '16918708', '23374637', '17288694', '15695064', '24289655', '19773541', '15812262', '28148614', '17375980', '24424469', '18940259', '21901317']",N06AB10,,321988,PA10074,68P,1053,ZINC000003800706,CHEMBL1508,50302225,ESCITALOPRAM OXALATE,36791,146570,CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1",WSEQXVZVJXJVFP-FQEVSTJZSA-N
DB01176,82-92-8,Cyclizine,approved,,"['R06AE03', 'R06AE53']",D03621,2977,PA164742937,,749,ZINC000019156872,CHEMBL648,,CYCLIZINE,3994,6726,CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3",UVKZSORBKUEBAZ-UHFFFAOYSA-N
DB01177,58957-92-9,Idarubicin,approved,,L01DB06,,5650,PA449961,DM5,1414,ZINC000003920266,CHEMBL1117,58490,IMI-30,42068,42890,C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O,"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1",XDXDZDZNSLXDNA-TZNDIEGXSA-N
DB01178,80-77-3,Chlormezanone,"['withdrawn', 'approved', 'investigational']","['15897685', '9770210', '10798243', '2399514']","['M03BB52', 'M03BB02', 'M03BB72']",D00268,2373,PA448939,,603,,CHEMBL1200714,,CHLORMEZANONE,3619,2717,CN1C(C2=CC=C(Cl)C=C2)S(=O)(=O)CCC1=O,"InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3",WEQAYVWKMWHEJO-UHFFFAOYSA-N
DB01179,518-28-5,Podofilox,approved,,D06BB04,,8463,PA450993,POD,3481,ZINC000003861806,CHEMBL61,50035218,CONDYLOX,50305,10607,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O,"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1",YJGVMLPVUAXIQN-XVVDYKMHSA-N
DB01180,24815-24-5,Rescinnamine,approved,,"['C02LA02', 'C02AA01', 'C02LA52']",D00198,9259,PA164768818,,2369,,CHEMBL3182071,,,92923,32681,[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1",SZLZWPPUNLXJEA-QEGASFHISA-N
DB01181,3778-73-2,Ifosfamide,approved,"['1277221', '2107997', '16702183', '3896483', '8070218', '3286879', '1720382', '15827549', '9322882', '14586139']",L01AA06,D00343,5657,PA449964,,1421,,CHEMBL1024,189358,MJF-9325,5864,3690,ClCCNP1(=O)OCCCN1CCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)",HOMGKSMUEGBAAB-UHFFFAOYSA-N
DB01182,54063-53-5,Propafenone,approved,,C01BC03,D08435,8754,PA451131,,2291,,CHEMBL631,50067133,PROPAFENONE,63619,4932,CCCNCC(O)COC1=C(C=CC=C1)C(=O)CCC1=CC=CC=C1,"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3",JWHAUXFOSRPERK-UHFFFAOYSA-N
DB01183,465-65-6,Naloxone,"['vet_approved', 'approved']","['29318006', '28722939', '30915992', '24106351', '5129377']","['N02AA53', 'V03AB15', 'A06AH04', 'N02AA55']",D08249,7242,PA450586,,1878,ZINC000000389747,CHEMBL80,54795,NALOXONE,7459,5284596,OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O,"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1",UZHSEJADLWPNLE-GRGSLBFTSA-N
DB01184,57808-66-9,Domperidone,"['vet_approved', 'approved', 'investigational']",9663360,A03FA03,D01745,3626,PA134711056,,945,ZINC000004175569,CHEMBL219916,50241107,"R 33,812",31515,3151,ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2,"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)",FGXWKSZFVQUSTL-UHFFFAOYSA-N
DB01185,76-43-7,Fluoxymesterone,"['illicit', 'approved']",17023534,G03BA01,D00327,4494,PA164744518,,1210,ZINC000003875484,CHEMBL1445,18189,ORA-TESTRYL,5120,6446,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1",YLRFCQOZQXIBAB-RBZZARIASA-N
DB01186,66104-22-1,Pergolide,"['withdrawn', 'vet_approved', 'approved', 'investigational']","['17202453', '16880771']",N04BC02,,8047,PA450873,,2105,ZINC000003786466,CHEMBL531,50028421,PERGOLIDE,63617,47811,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC,"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1",YEHCICAEULNIGD-MZMPZRCHSA-N
DB01187,99-79-6,Iophendylate,approved,,V08AD04,,5968,PA164743143,,,,,,,169727,3037234,CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I,"InChI=1S/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3",IWRUDYQZPTVTPA-UHFFFAOYSA-N
DB01188,29342-05-0,Ciclopirox,"['approved', 'investigational']","['15790671', '12760852']","['G01AX12', 'D01AE14']",D03488,21090,PA164747060,B4O,636,ZINC000000001145,CHEMBL1413,66087,HOE-296,453011,2749,CC1=CC(=O)N(O)C(=C1)C1CCCCC1,"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3",SCKYRAXSEDYPSA-UHFFFAOYSA-N
DB01189,57041-67-5,Desflurane,approved,"['7873420', '20233751', '1854033', '28265069', '8786535', '10823093', '15449957', '3631596', '1524235', '30725791', '10526823', '9788906', '17494361', '28320952', '8214760', '16973644', '12411515', '19298752', '3631595', '23537864', '3631593']",N01AB07,D00546,27340,PA164749136,,811,,CHEMBL1200733,,I-653,4445,42113,FC(F)OC(F)C(F)(F)F,"InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H",DPYMFVXJLLWWEU-UHFFFAOYSA-N
DB01190,18323-44-9,Clindamycin,"['vet_approved', 'approved']","['2751277', '14762701', '17652653', '6171600', '27940264', '15715599', '12814964', '7019193', '22486719']","['D10AF01', 'G01AA10', 'D10AF51', 'J01FF01']",D00277,2582,PA449035,CLY,678,ZINC000004038341,CHEMBL1753,,DALACIN C,,446598,[H][C@@](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@@]1([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1",KDLRVYVGXIQJDK-AWPVFWJPSA-N
DB01191,3239-44-9,Dexfenfluramine,"['withdrawn', 'illicit', 'approved', 'investigational']",,A08AA04,D07805,3268,PA164747936,,832,ZINC000000000294,CHEMBL248702,85596,DEXFENFLURAMINE,439329,66265,CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1",DBGIVFWFUFKIQN-VIFPVBQESA-N
DB01192,76-41-5,Oxymorphone,"['vet_approved', 'approved', 'investigational']",,,D08323,7814,PA450748,,2034,ZINC000003875483,CHEMBL963,50001707,OPANA ER,7865,5284604,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O,"InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1",UQCNKQCJZOAFTQ-ISWURRPUSA-N
DB01193,37517-30-9,Acebutolol,"['approved', 'investigational']",,"['C07AB04', 'C07BB04']",D02338,149,PA448011,,40,,CHEMBL642,25755,SECTRAL,2379,1978,CCCC(=O)NC1=CC=C(OCC(O)CNC(C)C)C(=C1)C(C)=O,"InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)",GOEMGAFJFRBGGG-UHFFFAOYSA-N
DB01194,138890-62-7,Brinzolamide,approved,"['15564757', '15258611', '19668749', '14736787', '10665514']","['S01EC04', 'S01EC54', 'G01AE10']",D00652,194881,PA164744929,BZ1,396,ZINC000003953037,CHEMBL220491,10885,BRINZOLAMIDE,3176,68844,CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1",HCRKCZRJWPKOAR-JTQLQIEISA-N
DB01195,54143-55-4,Flecainide,"['withdrawn', 'approved']","['12687841', '6364769', '1900101', '25870032', '25717355', '8541168', '1449923', '2499646', '2115193', '21138930']",C01BC04,D07962,4441,PA449646,,1176,,CHEMBL652,50131434,FLECAINIDE,75984,3356,FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1,"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)",DJBNUMBKLMJRSA-UHFFFAOYSA-N
DB01196,2998-57-4,Estramustine,"['approved', 'investigational']",,L01XX11,D04066,4089,PA449507,,1065,ZINC000004099032,CHEMBL1575,50333646,ESTRAMUSTINE,4868,259331,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H],"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1",FRPJXPJMRWBBIH-RBRWEJTLSA-N
DB01197,62571-86-2,Captopril,approved,"['12724335', '6253826', '90928']","['C09BA01', 'C09AA01']",D00251,1998,PA448780,X8Z,484,ZINC000000057001,CHEMBL1560,21642,CAPOTEN,3380,44093,C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1",FAKRSMQSSFJEIM-RQJHMYQMSA-N
DB01198,43200-80-2,Zopiclone,approved,"['6142468', '15252823', '2581904', '6298365', '2860074']",N05CF01,D01372,40001,PA10236,,2873,,CHEMBL135400,50248251,ZOPICLONE,32315,5735,CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3",GBBSUAFBMRNDJC-UHFFFAOYSA-N
DB01199,57-95-4,Tubocurarine,approved,"['20205728', '16119481', '31570201', '8159634', '6465573', '16402115']",M03AA02,,10917,PA451811,,,ZINC000003978083,CHEMBL339427,50366799,,9774,6000,[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1",JFJZZMVDLULRGK-URLMMPGGSA-O
DB01200,25614-03-3,Bromocriptine,"['approved', 'investigational']","['12351703', '10641988', '2655242', '2443499', '16410672', '2839476', '18691132']","['N04BC01', 'G02CB01']",D03165,1760,PA448671,08Y,403,ZINC000053683151,CHEMBL493,81993,BROMOCRIPTINE MESYLATE,3181,31101,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C,"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1",OZVBMTJYIDMWIL-AYFBDAFISA-N
DB01201,61379-65-5,Rifapentine,"['approved', 'investigational']",,J04AB05,D00879,35617,PA164783809,RPT,2378,ZINC000169621228,CHEMBL1660,50248298,DL-473,45304,135403821,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(CC1)C1CCCC1)=C2O,"InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1",WDZCUPBHRAEYDL-GZAUEHORSA-N
DB01202,102767-28-2,Levetiracetam,approved,"['18824002', '10722121', '18072813', '15210974', '25515681', '15367040', '17045309', '11879381', '15301575', '17461889']",N03AX14,D00709,114477,PA450206,,1563,ZINC000001547851,CHEMBL1286,50422542,UCB-L059,6437,5284583,CC[C@H](N1CCCC1=O)C(N)=O,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1",HPHUVLMMVZITSG-LURJTMIESA-N
DB01203,42200-33-9,Nadolol,approved,"['6714285', '21125979', '11495502', '6146679', '3366166', '24890609', '27667324']","['C07BA12', 'C07AA12']",D00432,7226,PA450573,,1865,,CHEMBL649,25766,CORGARD,,39147,CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2,"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1",VWPOSFSPZNDTMJ-UCWKZMIHSA-N
DB01204,65271-80-9,Mitoxantrone,"['approved', 'investigational']",16750460,L01DB07,D08224,7005,PA450526,MIX,1821,ZINC000003794794,CHEMBL58,67690,MITOXANTRONE DIHYDROCHLORIDE,50729,4212,OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(C(O)=CC=C1O)C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N
DB01205,78755-81-4,Flumazenil,approved,"['17306436', '18788841', '18175099']",V03AB25,D00697,4457,PA449659,FYP,1195,ZINC000000001464,CHEMBL407,26263,ROMAZICON,5103,3373,CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1,"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3",OFBIFZUFASYYRE-UHFFFAOYSA-N
DB01206,13010-47-4,Lomustine,"['approved', 'investigational']",,L01AD02,D00363,6466,PA164749407,,1596,ZINC000003831006,CHEMBL514,50247919,CEENU,6520,3950,ClCCN(N=O)C(=O)NC1CCCCC1,"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)",GQYIWUVLTXOXAJ-UHFFFAOYSA-N
DB01207,110140-89-1,Ridogrel,experimental,,,,,PA164746413,,,ZINC000001536934,CHEMBL280728,50003795,,135542,5362391,OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+",GLLPUTYLZIKEGF-HAVVHWLPSA-N
DB01208,110871-86-8,Sparfloxacin,"['withdrawn', 'approved', 'investigational']",,J01MA09,D00590,18469,PA451472,,2466,ZINC000000538362,CHEMBL850,50366822,AT-4140,9212,6956367,C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O,"InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+",DZZWHBIBMUVIIW-DTORHVGOSA-N
DB01209,53648-55-8,Dezocine,"['approved', 'investigational']",,N02AX03,D00838,22713,PA164746059,,847,,CHEMBL1685,50276568,DALGAN,4474,3033053,[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N,"InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1",VTMVHDZWSFQSQP-VBNZEHGJSA-N
DB01210,47141-42-4,Levobunolol,approved,"['3019819', '2891463', '2892662', '10443129', '14576520', '9373479', '17459374']",S01ED03,,1813,PA164747027,,431,ZINC000003830339,CHEMBL1201237,,,6438,39468,CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O,"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1",IXHBTMCLRNMKHZ-LBPRGKRZSA-N
DB01211,81103-11-9,Clarithromycin,approved,"['18486039', '1379907', '19909895', '17292768', '1312921', '9383733']","['J01FA09', 'A02BD14', 'A02BD07', 'A02BD04', 'A02BD12', 'A02BD09', 'A02BD06', 'A02BD11', 'A02BD05']",D00276,21212,PA449028,CTY,668,ZINC000085534098,CHEMBL1741,50404044,CLARITHROMYCIN,3732,84029,[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",AGOYDEPGAOXOCK-KCBOHYOISA-N
DB01212,73384-59-5,Ceftriaxone,approved,"['8586029', '21545483', '25808018', '2019372', '16641464', '6329638', '26913690', '2758000', '9535262']","['J01DD54', 'J01DD04']",D07659,2193,PA448866,,564,ZINC000028467879,CHEMBL161,50103601,ROCEFIN,29007,5479530,[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",VAAUVRVFOQPIGI-SPQHTLEESA-N
DB01213,7554-65-6,Fomepizole,"['vet_approved', 'approved']",,V03AB34,D00707,15226,PA449697,4PZ,1233,ZINC000000897288,CHEMBL1308,50226186,ANTIZOL,5141,3406,CC1=CNN=C1,"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)",RIKMMFOAQPJVMX-UHFFFAOYSA-N
DB01214,22664-55-7,Metipranolol,approved,,"['C07BA68', 'S01ED54', 'S01ED04']",D02374,10824,PA164748727,,1779,,CHEMBL1291,,,6897,31477,CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1,"InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3",BQIPXWYNLPYNHW-UHFFFAOYSA-N
DB01215,29975-16-4,Estazolam,"['illicit', 'approved']","['3758874', '3089825', '11995921']",N05CD04,D00311,4077,PA449502,,1056,ZINC000000001370,CHEMBL285674,,ESTAZOLAM,4858,3261,ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1,"InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2",CDCHDCWJMGXXRH-UHFFFAOYSA-N
DB01216,98319-26-7,Finasteride,approved,"['19707263', '27489744', '9951956', '24548754', '6155068', '16985960', '8846625', '23130269', '12657354']","['D11AX10', 'G04CA51', 'G04CB01']",D00321,25025,PA449627,FIT,1171,ZINC000003782599,CHEMBL710,50334788,MK-906,5062,57363,[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C,"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1",DBEPLOCGEIEOCV-WSBQPABSSA-N
DB01217,120511-73-1,Anastrozole,"['approved', 'investigational']","['12404296', '21087898', '28614542', '23712697', '23869785', '20923259', '21175441', '9152599', '27747906']",L02BG03,D00960,84857,PA448432,,210,ZINC000000000941,CHEMBL1399,10015,ARIMIDEX,2704,2187,CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N,"InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3",YBBLVLTVTVSKRW-UHFFFAOYSA-N
DB01218,69756-53-2,Halofantrine,approved,,P01BX01,,50749,PA449839,,1350,,CHEMBL1107,79214,HALOFANTRINE,94392,37393,CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F,"InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3",FOHHNHSLJDZUGQ-UHFFFAOYSA-N
DB01219,7261-97-4,Dantrolene,"['approved', 'investigational']",15023108,M03CA01,D02347,3105,PA449208,,780,ZINC000002568036,CHEMBL1201288,50198767,DANTRIUM,,6914273,[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O,"InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+",OZOMQRBLCMDCEG-VIZOYTHASA-N
DB01220,80621-81-4,Rifaximin,"['approved', 'investigational']","['19881343', '16498249', '19898648', '20384539', '19442033', '15598963', '20586560', '20561708', '19243285', '20331580', '18657018', '15855748', '15976747', '7774516', '18284650']","['D06AX11', 'A07AA11']",D02554,35619,PA164752443,RXM,2379,ZINC000169621200,CHEMBL1617,50347620,RIFAXIMIN,75246,6436173,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O,"InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1",NZCRJKRKKOLAOJ-XRCRFVBUSA-N
DB01221,6740-88-1,Ketamine,"['vet_approved', 'approved']","['10228376', '10551055', '16979848', '29446381', '25724645', '25417928', '7097501', '12091028', '12768186', '26360893', '7431222', '16379643', '2858237']",N01AX03,D08098,6130,PA450144,,1523,,CHEMBL742,50044140,CI-581,6121,3821,CNC1(CCCCC1=O)C1=CC=CC=C1Cl,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3",YQEZLKZALYSWHR-UHFFFAOYSA-N
DB01222,51333-22-3,Budesonide,approved,"['23300763', '30285357', '7002575', '23251737', '15634032', '7391935', '23143891']","['R03BA02', 'A07EA06', 'R03AK12', 'D07AC09', 'R03AK07', 'R01AD05', 'R03AL11']",D00246,19831,PA448681,,419,,CHEMBL1370,50354850,UCERIS,3207,5281004,[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1",VOVIALXJUBGFJZ-KWVAZRHASA-N
DB01223,317-34-0,Aminophylline,approved,,"['R03DA55', 'R03DA20', 'R03DB05', 'R03DA05']",D00227,689,PA164781029,,,,CHEMBL1370561,,,2659,9433,NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O,"InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2",FQPFAHBPWDRTLU-UHFFFAOYSA-N
DB01224,111974-69-7,Quetiapine,approved,"['21179595', '30643391', '18537577', '11510628', '10665270', '25912535', '11051217', '11393275', '15000896', '26834458', '25028535', '24385309', '11245917', '10830145', '22688609', '14642017', '19300555']",N05AH04,D08456,51272,PA451201,,2337,ZINC000019632628,CHEMBL716,50095890,QUETIAPINE FUMARATE,8707,5002,OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2",URKOMYMAXPYINW-UHFFFAOYSA-N
DB01225,9005-49-6,Enoxaparin,approved,"['21232002', '15151480', '1963020', '26780737', '26733269', '8703665', '12968985', '11927128', '21470072']",B01AB05,D07510,67108,PA449463,,,,,,,,,,,
DB01226,133814-19-4,Mivacurium,approved,,M03AC10,,30077,PA450528,,1822,ZINC000150338702,CHEMBL1182833,,MIVACRON,6958,5281042,COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,"InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1",ILVYCEVXHALBSC-OTBYEXOQSA-N
DB01227,1477-40-3,Levacetylmethadol,"['approved', 'investigational']",,N07BC03,D04716,237005,PA450215,,1571,ZINC000001530967,CHEMBL1514,,LEVOMETHADYL ACETATE,6441,15130,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1",XBMIVRRWGCYBTQ-AVRDEDQJSA-N
DB01228,66778-36-7,Encainide,"['withdrawn', 'approved', 'investigational']",,C01BC08,D07894,42368,PA449459,,1007,,CHEMBL315838,,ENCAINIDE,4788,48041,COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C,"InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)",PJWPNDMDCLXCOM-UHFFFAOYSA-N
DB01229,33069-62-4,Paclitaxel,"['vet_approved', 'approved']","['7603142', '5553076', '20217610', '7850785', '688258', '15139776']",L01CD01,D00491,56946,PA450761,TA1,2044,ZINC000096006020,CHEMBL428647,50001839,TAXOL,45863,36314,[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C,"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1",RCINICONZNJXQF-MZXODVADSA-N
DB01230,2152-34-3,Pemoline,"['withdrawn', 'illicit', 'approved', 'investigational']",,N06BA05,D00744,7966,PA450836,,2075,,CHEMBL1177,50248019,CYLERT,7953,4723,NC1=NC(=O)C(O1)C1=CC=CC=C1,"InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)",NRNCYVBFPDDJNE-UHFFFAOYSA-N
DB01231,972-02-1,Diphenidol,"['withdrawn', 'approved', 'investigational']",,,D03858,23370,PA164746037,,313,ZINC000000968266,CHEMBL936,50225701,DIFENIDOL,4638,3055,OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2",OGAKLTJNUQRZJU-UHFFFAOYSA-N
DB01232,127779-20-8,Saquinavir,"['approved', 'investigational']","['11483925', '19108994', '9578182', '19714702', '22762019']",J05AE01,D00429,83395,PA451305,ROC,2422,ZINC000003914596,CHEMBL114,50213021,SAQUINAVIR MESYLATE,63621,441243,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC3=C(C=CC=C3)C=C1)[C@@H](C2)C(=O)NC(C)(C)C,"InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1",QWAXKHKRTORLEM-UGJKXSETSA-N
DB01233,364-62-5,Metoclopramide,"['approved', 'investigational']","['7286058', '26425557', '6360466', '4020411', '7479521', '22688139', '30310300', '3964535', '3542335', '25672546', '27775961', '24672418', '19958151', '25069531', '28533997', '21278804']",A03FA01,D00726,6915,PA450475,,1782,ZINC000001530716,CHEMBL86,48320,METOCLOPRAMIDE,107736,4168,CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",TTWJBBZEZQICBI-UHFFFAOYSA-N
DB01234,50-02-2,Dexamethasone,"['vet_approved', 'approved', 'investigational']","['9618784', '3709651', '30285357', '9141556', '24347992', '9408089', '15634032', '13560344', '24400953']","['S01CA01', 'S01CB01', 'S02BA06', 'S03BA01', 'S02CA06', 'S03CA01', 'A01AC02', 'C05AA09', 'R01AD03', 'D10AA03', 'H02AB02', 'D07AB19', 'S01BA01', 'R01AD53', 'D07CB04', 'D07XB05']",D00292,3264,PA449247,DEX,824,ZINC000003875332,CHEMBL384467,18207,DECADRON,41879,5743,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1",UREBDLICKHMUKA-CXSFZGCWSA-N
DB01235,59-92-7,Levodopa,approved,"['5171067', '23683503', '28012951', '2775615', '20225277', '22605980']","['N04BA01', 'N04BA02', 'N04BA03']",D00059,6375,PA450213,DAH,1567,ZINC000000895199,CHEMBL1009,60928,V-1512,15765,6971033,N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1",WTDRDQBEARUVNC-LURJTMIESA-N
DB01236,28523-86-6,Sevoflurane,"['vet_approved', 'approved']",,N01AB08,D00547,36453,PA451341,,2439,ZINC000001530810,CHEMBL1200694,,SEVOFLURANE,9130,5206,FCOC(C(F)(F)F)C(F)(F)F,"InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2",DFEYYRMXOJXZRJ-UHFFFAOYSA-N
DB01237,118-23-0,Bromodiphenhydramine,approved,,R06AA01,,19759,PA164760854,,404,,CHEMBL1201245,81465,,59177,2444,CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1,"InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3",NUNIWXHYABYXKF-UHFFFAOYSA-N
DB01238,129722-12-9,Aripiprazole,"['approved', 'investigational']","['17965519', '26589880', '17848919', '18332080']",N05AX12,D01164,89013,PA10026,9SC,242,ZINC000001851149,CHEMBL1112,50130293,ABILIFY MAINTENA,31236,60795,ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl,"InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)",CEUORZQYGODEFX-UHFFFAOYSA-N
DB01239,113-59-7,Chlorprothixene,"['withdrawn', 'experimental', 'approved', 'investigational']",,N05AF03,D00790,2406,PA164781400,,623,ZINC000000001137,CHEMBL908,50240514,TARACTAN,50931,667467,CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-",WSPOMRSOLSGNFJ-AUWJEWJLSA-N
DB01240,35121-78-9,Epoprostenol,approved,,B01AC09,D00106,8814,PA449479,,1034,ZINC000003813078,CHEMBL1139,,EPOPROSTENOL SODIUM,15552,5282411,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1",KAQKFAOMNZTLHT-OZUDYXHBSA-N
DB01241,25812-30-0,Gemfibrozil,approved,"['2381138', '17670842', '3468088', '9010630', '828261', '31424850', '18370512', '3923042', '25941268']",C10AB04,D00334,4719,PA449750,4TX,1285,ZINC000001530641,CHEMBL457,50110590,GEMFIBROZIL,5296,3463,CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",HEMJJKBWTPKOJG-UHFFFAOYSA-N
DB01242,303-49-1,Clomipramine,"['vet_approved', 'approved', 'investigational']",,N06AA04,D00811,2597,PA449048,CXX,701,ZINC000000020248,CHEMBL415,77970,ANAFRANIL,47780,2801,CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2,"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3",GDLIGKIOYRNHDA-UHFFFAOYSA-N
DB01243,773-76-2,Chloroxine,approved,"['7513790', '1820340']",,D03472,20875,PA164754879,,611,ZINC000000001131,CHEMBL1200596,32187,,59477,2722,OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2,"InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",WDFKMLRRRCGAKS-UHFFFAOYSA-N
DB01244,64706-54-3,Bepridil,"['withdrawn', 'approved']",,C08EA02,D07520,1436,PA164754755,BEP,342,,CHEMBL1008,78577,CORDIUM,3061,2351,CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1,"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3",UIEATEWHFDRYRU-UHFFFAOYSA-N
DB01245,156-74-1,Decamethonium,approved,,,,,PA164747980,DME,789,ZINC000001532339,CHEMBL1190,50060582,,41934,2968,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,"InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2",MTCUAOILFDZKCO-UHFFFAOYSA-N
DB01246,84-96-8,Alimemazine,"['vet_approved', 'approved']",,R06AD01,D07125,10825,PA164744009,,2749,,CHEMBL829,50062261,VALLERGAN,9725,5574,CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",ZZHLYYDVIOPZBE-UHFFFAOYSA-N
DB01247,59-63-2,Isocarboxazid,approved,"['3069879', '13749111', '13864836']",N06AF01,D02580,6011,PA450101,,1490,ZINC000000001587,CHEMBL1201168,163692,MARPLAN,93635,3759,CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1,"InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)",XKFPYPQQHFEXRZ-UHFFFAOYSA-N
DB01248,114977-28-5,Docetaxel,"['approved', 'investigational']",,L01CD02,D02165,1299922,PA449383,TXL,939,ZINC000085537053,CHEMBL92,36351,RP-56976,4672,148124,[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1,"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1",ZDZOTLJHXYCWBA-VCVYQWHSSA-N
DB01249,92339-11-2,Iodixanol,approved,"['17081087', '8957160']",V08AB09,D01474,27729,PA164783998,,3302,,CHEMBL1200507,,VISIPAQUE,31705,3724,CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,"InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)",NBQNWMBBSKPBAY-UHFFFAOYSA-N
DB01250,15722-48-2,Olsalazine,approved,,A07EC03,D00727,32385,PA450700,,,ZINC000003812865,CHEMBL425,,OLSALAZINE SODIUM,,,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O,"InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+",QQBDLJCYGRGAKP-FOCLMDBBSA-N
DB01251,33342-05-1,Gliquidone,"['approved', 'investigational']",,A10BB08,D02430,25793,PA164744895,,1302,ZINC000001482077,CHEMBL383634,50248247,GLURENORM,93416,91610,COC1=CC2=C(C=C1)C(C)(C)C(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1)C2=O,"InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)",LLJFMFZYVVLQKT-UHFFFAOYSA-N
DB01252,145375-43-5,Mitiglinide,investigational,,A10BX08,D01854,,PA164748124,,1818,ZINC000001482913,CHEMBL471498,,MITIGLINIDE,135349,121891,[H][C@@](CC(=O)N1C[C@@]2([H])CCCC[C@@]2([H])C1)(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1",WPGGHFDDFPHPOB-BBWFWOEESA-N
DB01253,60-79-7,Ergometrine,approved,,G02AB03,D07905,4021,PA449487,,1042,ZINC000053174604,CHEMBL119443,50390991,ERGONOVINE MALEATE,4822,443884,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1",WVVSZNPYNCNODU-XTQGRXLLSA-N
DB01254,302962-49-8,Dasatinib,"['approved', 'investigational']","['17154512', '16775234']",L01XE06,D03658,1546019,PA162372878,1N1,785,ZINC000003986735,CHEMBL1421,13216,DASATINIB MONOHYDRATE,49375,3062316,CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1,"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)",ZBNZXTGUTAYRHI-UHFFFAOYSA-N
DB01255,608137-32-2,Lisdexamfetamine,"['approved', 'investigational']","['20514273', '18635707', '27092049', '18548134', '29636691', '17035599', '21073468']",N06BA12,,700810,PA164748975,,4135,ZINC000011680943,CHEMBL1201222,,LISDEXAMFETAMINE,135925,11597698,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN,"InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1",VOBHXZCDAVEXEY-JSGCOSHPSA-N
DB01256,224452-66-8,Retapamulin,approved,"['20061745', '16801451', '18389088', '20112168', '18832258', '19436611', '18416589', '18041900']",D06AX13,,642274,PA164749341,G34,2371,ZINC000100013500,CHEMBL1658,,ALTABAX,,,[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@H]1C[C@@H]2CC[C@H](C1)N2C,"InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+/m1/s1",STZYTFJPGGDRJD-NHUWBDDWSA-N
DB01257,219685-50-4,Eculizumab,"['approved', 'investigational']","['18784156', '9171898', '17989688', '28653357', '30758736']",L04AA25,,591781,PA164776637,,,,,,,,,,,
DB01259,231277-92-2,Lapatinib,"['approved', 'investigational']","['17192538', '18803986', '16418322', '15955900', '20110044', '16894399', '15163842']",L01XE07,D04024,480167,PA152241907,FMM,1548,ZINC000001550477,CHEMBL554,5445,LAPATINIB,49603,208908,CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1,"InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)",BCFGMOOMADDAQU-UHFFFAOYSA-N
DB01260,638-94-8,Desonide,"['approved', 'investigational']",,"['D07BB02', 'D07AB08', 'S01BA11']",D03696,3254,PA164776996,,3135,ZINC000004212851,CHEMBL1201109,,DESONIDE,204734,5311066,[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1",WBGKWQHBNHJJPZ-LECWWXJVSA-N
DB01261,486460-32-6,Sitagliptin,"['approved', 'investigational']","['19065993', '17220239', '16855072', '18182122', '16338283']","['A10BD07', 'A10BD24', 'A10BH51', 'A10BD12', 'A10BH01']",D08516,593411,PA164748978,715,2448,ZINC000001489478,CHEMBL1422,11162,SITAGLIPTIN,40237,4369359,N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F,"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1",MFFMDFFZMYYVKS-SECBINFHSA-N
DB01262,2353-33-5,Decitabine,"['approved', 'investigational']","['18398832', '17023173', '16015501', '17925555', '27023522', '18425818', '17881052', '20072836', '29455551', '28297619']",L01BC08,D03665,15657,PA164749631,,790,ZINC000016929327,CHEMBL1201129,96274,NSC-127716,50131,451668,NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1",XAUDJQYHKZQPEU-KVQBGUIXSA-N
DB01263,171228-49-2,Posaconazole,"['vet_approved', 'approved', 'investigational']","['17251531', '17251530', '18713852', '20481649', '16107193', '17516880', '18457464', '20622401', '18035188']",J02AC04,D02555,282446,PA151958574,X2N,3483,ZINC000003938482,CHEMBL1397,50181473,NOXAFIL,64355,468595,CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1,"InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1",RAGOYPUPXAKGKH-XAKZXMRKSA-N
DB01264,206361-99-1,Darunavir,approved,"['19209258', '29082041', '20640812', '18389894', '19131522', '27199469', '20573083', '17635930', '15917527', '22508308', '16480273', '22549499', '23143899']","['J05AR22', 'J05AR14', 'G01AE10', 'J05AE10', 'J05AR26']",D03656,460132,PA163522472,017,4143,ZINC000003955219,CHEMBL1323,8125,DARUNAVIR,367163,213039,[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1",CJBJHOAVZSMMDJ-HEXNFIEUSA-N
DB01265,3424-98-4,Telbivudine,"['approved', 'investigational']","['15985003', '17722961', '18201580', '17477811', '17724496', '18069753', '15882124', '16981973']",J05AF11,D06675,474128,PA164760861,LLT,4220,ZINC000000002159,CHEMBL374731,50088372,SEBIVO,63624,159269,CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1",IQFYYKKMVGJFEH-CSMHCCOUSA-N
DB01266,188265-33-0,Sinecatechins,"['approved', 'nutraceutical', 'investigational']",,D06BB12,,753346,PA164749508,,,,,,,,,,,
DB01267,144598-75-4,Paliperidone,approved,"['20497747', '18537577']",N05AX13,D05339,679314,PA163518919,,4137,,CHEMBL1621,50252513,RO76477,83804,115237,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1,"InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3",PMXMIIMHBWHSKN-UHFFFAOYSA-N
DB01268,557795-19-4,Sunitinib,"['approved', 'investigational']","['17046465', '17215529']",L01XE04,D06402,357977,PA162372840,B49,2544,ZINC000003964325,CHEMBL535,4814,SU010398,38940,5329102,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C,"InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-",WINHZLLDWRZWRT-ATVHPVEESA-N
DB01269,339177-26-3,Panitumumab,"['approved', 'investigational']","['20481659', '14967460', '17355997', '11255078', '18343240']",L01XC08,,263034,PA162373091,,,,,,,,,,,
DB01270,347396-82-1,Ranibizumab,approved,"['15671306', '18046235', '18054637', '18035187']",S01LA04,D05697,595060,PA164746012,,,,,,,,,,,
DB01271,50936-59-9,Idursulfase,approved,"['18201153', '18174963', '17459751', '19707363', '20301451', '18038146']",A16AB09,,644101,PA164749134,,,,,,,,,,,
DB01272,420784-05-0,Alglucosidase alfa,approved,17151339,A16AB07,D03207,629565,PA164754753,,,,,,,,,,,
DB01273,249296-44-4,Varenicline,"['approved', 'investigational']","['15887955', '16820547', '16766716', '16467225', '16221753']",N07BA03,,591622,PA164781343,QMR,2808,,CHEMBL1396,50166908,CHANTIX,,170361,C1C2CNCC1C1=C2C=C2N=CC=NC2=C1,"InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2",JQSHBVHOMNKWFT-UHFFFAOYSA-N
DB01274,67346-49-0,Arformoterol,"['approved', 'investigational']","['20214460', '19808130', '18501650', '17472819', '19124357', '16022567']",,D07463,304962,PA164743977,H98,4943,ZINC000002599970,CHEMBL1363,50151720,ARFORMOTEROL,408174,3083544,COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1",BPZSYCZIITTYBL-YJYMSZOUSA-N
DB01275,86-54-4,Hydralazine,approved,"['7924901', '2656046', '6236822', '6177931', '15192023', '7308273', '7284051', '12411398', '4584155', '7050561', '2600796', '30413463', '7358814', '29262006']","['C02LG02', 'C02DB02']",D08044,5470,PA449894,HLZ,1384,ZINC000012360535,CHEMBL276832,81461,HYDRALAZINE,5775,3637,NNC1=NN=CC2=CC=CC=C12,"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)",RPTUSVTUFVMDQK-UHFFFAOYSA-N
DB01276,141758-74-9,Exenatide,"['approved', 'investigational']","['25723538', '16724926', '22338110']",A10BJ01,D04121,60548,PA164749238,,1123,,,,,,,,,
DB01277,68562-41-4,Mecasermin,"['approved', 'investigational']","['16905026', '19198769', '19627167', '18481900', '25366889', '8282084']",H01AC03,D04870,274403,PA164774876,,,,,,,,,,,
DB01278,151126-32-8,Pramlintide,"['approved', 'investigational']","['16330288', '18998755', '12841822', '17619527']",A10BX05,D05595,139953,PA164781394,,2236,,CHEMBL2103758,,SYMLIN,135922,126456229,[H]N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O,"InChI=1S/C171H267N51O53S2/c1-21-81(12)130(163(268)207-110(56-78(6)7)169(274)222-53-33-42-118(222)170(275)221-52-32-41-117(221)160(265)219-135(89(20)230)167(272)206-109(66-125(180)238)151(256)212-128(79(8)9)161(266)186-68-126(239)192-111(70-223)154(259)203-107(64-123(178)236)152(257)218-134(88(19)229)166(271)195-98(136(181)241)57-92-43-45-94(231)46-44-92)214-159(264)116-40-31-51-220(116)127(240)69-187-141(246)101(58-90-34-24-22-25-35-90)199-148(253)105(62-121(176)234)201-149(254)106(63-122(177)235)202-155(260)112(71-224)209-156(261)113(72-225)208-146(251)103(60-93-67-184-75-188-93)205-162(267)129(80(10)11)213-150(255)100(55-77(4)5)198-145(250)102(59-91-36-26-23-27-37-91)200-147(252)104(61-120(175)233)196-137(242)82(13)189-144(249)99(54-76(2)3)197-142(247)96(39-30-50-185-171(182)183)193-143(248)97(47-48-119(174)232)194-165(270)132(86(17)227)215-138(243)83(14)190-157(262)114-73-276-277-74-115(210-140(245)95(173)38-28-29-49-172)158(263)204-108(65-124(179)237)153(258)217-131(85(16)226)164(269)191-84(15)139(244)216-133(87(18)228)168(273)211-114/h22-27,34-37,43-46,67,75-89,95-118,128-135,223-231H,21,28-33,38-42,47-66,68-74,172-173H2,1-20H3,(H2,174,232)(H2,175,233)(H2,176,234)(H2,177,235)(H2,178,236)(H2,179,237)(H2,180,238)(H2,181,241)(H,184,188)(H,186,266)(H,187,246)(H,189,249)(H,190,262)(H,191,269)(H,192,239)(H,193,248)(H,194,270)(H,195,271)(H,196,242)(H,197,247)(H,198,250)(H,199,253)(H,200,252)(H,201,254)(H,202,260)(H,203,259)(H,204,263)(H,205,267)(H,206,272)(H,207,268)(H,208,251)(H,209,261)(H,210,245)(H,211,273)(H,212,256)(H,213,255)(H,214,264)(H,215,243)(H,216,244)(H,217,258)(H,218,257)(H,219,265)(H4,182,183,185)/t81-,82-,83-,84-,85+,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,128-,129-,130-,131-,132-,133-,134-,135-/m0/s1",TZIRZGBAFTZREM-MKAGXXMWSA-N
DB01279,552858-79-4,Galsulfase,"['approved', 'investigational']",,A16AB08,,578033,PA164746235,,,,,,,,,,,
DB01280,121032-29-9,Nelarabine,"['approved', 'investigational']","['20616909', '18318562', '16922610', '18473971', '18516261', '18035189', '16485343', '19157550', '19825456']",L01BB07,D05134,274771,PA164752425,,1892,ZINC000003823492,CHEMBL1201112,50247985,NSC-686673,63612,3011155,COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1",IXOXBSCIXZEQEQ-UHTZMRCNSA-N
DB01281,332348-12-6,Abatacept,approved,"['16932686', '17014006', '16573350', '18041889', '16557658', '15230295', '19821401', '20080922', '17212998', '16971318']",L04AA24,D03203,614391,PA164747080,,,,,,,,,,,
DB01282,37025-55-1,Carbetocin,"['approved', 'investigational']",,H01BB03,D07229,,PA164743086,,495,ZINC000150338703,CHEMBL3301668,50044677,CARBETOCIN,59204,16681432,[H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC,"InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1",NSTRIRCPWQHTIA-DTRKZRJBSA-N
DB01283,220991-20-8,Lumiracoxib,"['approved', 'investigational']",,M01AH06,D03714,,PA164769031,LUR,1618,ZINC000000007563,CHEMBL404108,50207446,COX-189,73044,151166,CC1=CC=C(NC2=C(Cl)C=CC=C2F)C(CC(O)=O)=C1,"InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)",KHPKQFYUPIUARC-UHFFFAOYSA-N
DB01284,16960-16-0,Tetracosactide,approved,,H01AA02,D00284,2890,PA164749052,,4516,,CHEMBL2103784,50017180,CORTROSYN,3901,60210072,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1",ZOEFCCMDUURGSE-SQKVDDBVSA-N
DB01285,12427-33-7,Corticotropin,"['vet_approved', 'approved', 'investigational']",,H01AA01,D00146,376,PA449129,,,,,,,,,,,
DB01288,13392-18-2,Fenoterol,"['approved', 'investigational']",,"['G02CA03', 'R03AC04', 'R03AL01', 'R03CC04']",D04157,4333,PA10079,,1155,,CHEMBL32800,50221768,FENOTEROL,149226,3343,CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",LSLYOANBFKQKPT-UHFFFAOYSA-N
DB01289,25046-79-1,Glisoxepide,investigational,"['9017793', '1618280']",A10BB11,,,PA164743233,,1305,ZINC000000537804,CHEMBL2106618,,,135731,32778,CC1=CC(=NO1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1,"InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)",ZKUDBRCEOBOWLF-UHFFFAOYSA-N
DB01291,38677-81-5,Pirbuterol,approved,,"['R03AC08', 'R03CC07']",,33767,PA450983,,2199,,CHEMBL1094966,,PIRBUTEROL ACETATE,8245,4845,CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1,"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3",VQDBNKDJNJQRDG-UHFFFAOYSA-N
DB01294,14882-18-9,Bismuth subsalicylate,"['vet_approved', 'approved']","['3308391', '32809532', '25901890', '33257373', '25251194', '1158081', '9354203', '2406853', '15691943']",,D00728,19478,PA164774805,,4257,,,,,261649,53629521,O[Bi]1OC(=O)C2=CC=CC=C2O1,"InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3",ZREIPSZUJIFJNP-UHFFFAOYSA-K
DB01295,59170-23-9,Bevantolol,experimental,2888789,"['C07AB06', 'C07BB06']",,,PA164743236,,360,,CHEMBL314010,,BEVANTOLOL,238698,2372,COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1,"InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3",HXLAFSUPPDYFEO-UHFFFAOYSA-N
DB01296,3416-24-8,Glucosamine,"['approved', 'investigational']","['20408501', '12214321', '11642003', '16822504', '13827775', '16339923', '18756654', '21826146', '19903416', '28144573', '8267678', '11553646', '17238806', '16431966', '16168682', '15846645', '32644356', '16155294', '18225460', '15641100']",M01AX05,D04334,4845,PA164747613,,1307,,CHEMBL493287,,GLUCOSAMINE,47977,439213,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1",MSWZFWKMSRAUBD-IVMDWMLBSA-N
DB01297,6673-35-4,Practolol,approved,,C07AB01,D05587,8620,PA164752820,,3486,,CHEMBL6995,25749,,258351,4883,CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1,"InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)",DURULFYMVIFBIR-UHFFFAOYSA-N
DB01298,17784-12-2,Sulfacytine,approved,,G01AE10,,78902,PA164754808,,2499,ZINC000000002092,CHEMBL1201056,,,135230,5322,CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O,"InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)",SIBQAECNSSQUOD-UHFFFAOYSA-N
DB01299,2447-57-6,Sulfadoxine,"['approved', 'investigational']",,G01AE10,D00580,10173,PA451540,,2503,ZINC000000002094,CHEMBL1539,50238671,RO 4-4393,9329,17134,COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC,"InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",PJSFRIWCGOHTNF-UHFFFAOYSA-N
DB01301,751-97-3,Rolitetracycline,approved,,"['J01AA20', 'J01AA09']",D02282,9462,PA164779049,,2399,ZINC000014880004,CHEMBL1237046,50477463,,63334,,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C,"InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1",HMEYVGGHISAPJR-IAHYZSEUSA-N
DB01303,4499-40-5,Oxtriphylline,approved,,"['R03DA02', 'R03DA20', 'R03DB02']",D02017,20976,PA164748137,,,,CHEMBL1200434,,,,,C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O,"InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1",RLANKEDHRWMNRO-UHFFFAOYSA-M
DB01306,116094-23-6,Insulin aspart,approved,"['22321739', '22420005', '11829732', '20424816']","['A10AD05', 'A10AD06', 'A10AB05']",D04475,51428,PA164784029,,,,,,,,,,,
DB01307,169148-63-4,Insulin detemir,approved,"['14578244', '17881328', '17901036', '18715209', '18034591']",A10AE05,D04539,139825,PA164746470,,,,,,,,,,,
DB01309,207748-29-6,Insulin glulisine,approved,"['16625142', '16193096', '17703632', '17316105', '20429049', '17764465', '16706558', '19496630', '18076215']",A10AB06,D04540,400008,PA164760859,,,,,,,,,,,
DB01319,226700-79-4,Fosamprenavir,approved,"['16485915', '18042502', '18373851', '14982766', '15341507', '15116286', '12162471', '14693528']",J05AE07,D02497,358262,PA10084,,1240,ZINC000003941829,CHEMBL1664,,GW433908,82941,131536,CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1",MLBVMOWEQCZNCC-OEMFJLHTSA-N
DB01320,93390-81-9,Fosphenytoin,"['approved', 'investigational']","['12716241', '14622802', '11447516', '19443931', '8649612']",N03AB05,D07993,72236,PA164746820,,1247,ZINC000001530922,CHEMBL1201336,,FOSPHENYTOIN SODIUM,5165,56339,OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)",XWLUWCNOOVRFPX-UHFFFAOYSA-N
DB01321,16846-24-5,Josamycin,investigational,20186698,J01FA07,D01235,6084,PA164749133,,1518,ZINC000096006021,CHEMBL224436,,JOSAMYCIN,31739,5282165,CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O,"InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",XJSFLOJWULLJQS-NGVXBBESSA-N
DB01322,9000-38-8,Kava,"['approved', 'nutraceutical', 'investigational']","['16904878', '9434608', '9829291', '17329236', '9832350']",,,285228,,,,,,,,,5281052,COC1=CC(=O)OC(C1)\C=C\C1=CCCC=C1,"InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h3,5-8,10,12H,2,4,9H2,1H3/b8-7+",OMNGEVNATYFZGG-BQYQJAHWSA-N
DB01323,84082-80-4,St. John's Wort,"['approved', 'nutraceutical', 'investigational']","['12153829', '11939866', '16423519']",N06AX25,,1310069,PA164924486,,,,,,,,,,,
DB01324,346-18-9,Polythiazide,approved,,"['C03AB05', 'C03AA05', 'G01AE10']",D00657,8565,PA164748763,,2228,,CHEMBL1587,,RENESE,8327,4870,CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,"InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)",CYLWJCABXYDINA-UHFFFAOYSA-N
DB01325,73-49-4,Quinethazone,approved,,"['C03BA02', 'C03BB02', 'G01AE10']",D00461,59743,PA164760863,,2343,,CHEMBL1532,25898,,8717,6307,CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O,"InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)",AGMMTXLNIQSRCG-UHFFFAOYSA-N
DB01326,34444-01-4,Cefamandole,"['experimental', 'approved']",,J01DC03,D02344,2178,PA448837,SMX,527,ZINC000003830394,CHEMBL1146,50350468,CEFAMANDOLE,3480,456255,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1",OLVCFLKTBJRLHI-AXAPSJFSSA-N
DB01327,25953-19-9,Cefazolin,approved,,J01DB04,D02299,2180,PA448839,,530,ZINC000003830405,CHEMBL1435,50370587,CEFAMEZIN,474053,33255,[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O,"InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1",MLYYVTUWGNIJIB-BXKDBHETSA-N
DB01328,61270-58-4,Cefonicid,"['approved', 'investigational']",,J01DC06,D07644,2183,PA164743021,,542,ZINC000003830428,CHEMBL1601,,MONOCID,3491,43594,[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1",DYAIAHUQIPBDIP-AXAPSJFSSA-N
DB01329,62893-19-0,Cefoperazone,"['approved', 'investigational']",6221381,J01DD12,,2184,PA448849,,543,ZINC000003830432,CHEMBL507674,50390999,CEFOBID,3493,44187,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1",GCFBRXLSHGKWDP-XCGNWRKASA-N
DB01330,69712-56-7,Cefotetan,approved,,J01DC05,D00260,2187,PA164784033,,547,,CHEMBL474579,80643,ICI-156834,3499,,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O,"InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1",SRZNHPXWXCNNDU-IXOPCIAXSA-N
DB01331,35607-66-0,Cefoxitin,approved,,J01DC01,D02345,2189,PA448856,CFX,550,ZINC000003830449,CHEMBL996,50335563,MEFOXIN,209807,441199,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O,"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1",WZOZEZRFJCJXNZ-ZBFHGGJFSA-N
DB01332,68401-81-0,Ceftizoxime,"['withdrawn', 'approved']",3888599,J01DD07,,2192,PA164748758,,563,ZINC000003830477,CHEMBL528,237182,CEFTIZOXIME SODIUM,553473,6533629,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1",NNULBSISHYWZJU-LLKWHZGFSA-N
DB01333,38821-53-3,Cefradine,approved,4572639,J01DB09,D00264,2239,PA448890,,576,ZINC000003830515,CHEMBL1604,50370585,ANSPOR,3547,40467109,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O,"InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",RDLPVSKMFDYCOR-UEKVPHQBSA-N
DB01336,5152-30-7,Metocurine,approved,9915319,,,29950,PA164749507,CU9,908,ZINC000004097448,CHEMBL1259,50237609,,6900,21233,[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3,"InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1",JFXBEKISTKFVAB-AJQTZOPKSA-N
DB01337,16974-53-1,Pancuronium,approved,,M03AC01,,7883,PA450771,,,ZINC000004097383,CHEMBL185073,50248016,PAVULON,7907,441289,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1,"InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",GVEAYVLWDAFXET-XGHATYIMSA-N
DB01338,68399-58-6,Pipecuronium,approved,,M03AC06,,33742,PA164764567,,2183,ZINC000003938681,CHEMBL1201206,,RGH-1106,8230,50192,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1,"InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",OWWLUIWOFHMHOQ-XGHATYIMSA-N
DB01339,86029-43-8,Vecuronium,"['approved', 'investigational']",,M03AC03,,71535,PA164748865,,,ZINC000004097404,CHEMBL1201219,50424713,VECURONIUM BROMIDE,9939,39765,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1,"InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",BGSZAXLLHYERSY-XQIGCQGXSA-N
DB01340,88768-40-5,Cilazapril,approved,2434790,"['C09BA08', 'C09AA08']",D07699,21102,PA164748302,,641,ZINC000003781951,CHEMBL515606,,INHIBACE,3698,40466888,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O,"InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1",HHHKFGXWKKUNCY-FHWLQOOXSA-N
DB01341,,Dihydroquinidine barbiturate,experimental,,,,,,,,,,,,,,,,
DB01342,145216-43-9,Forasartan,experimental,,,D04243,,PA164776845,,,ZINC000005139136,CHEMBL315021,50049209,,141552,132706,CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1,"InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)",YONOBYIBNBCDSJ-UHFFFAOYSA-N
DB01344,28210-41-5,Tolevamer,"['approved', 'investigational']",,V03AE01,,1546436,PA164749386,,,,,,,,,,,
DB01345,24203-36-9,Potassium cation,"['approved', 'investigational']",,,D08403,1318915,PA451047,K,,,,,,29103,813,[K+],InChI=1S/K/q+1,NPYPAHLBTDXSSS-UHFFFAOYSA-N
DB01346,,Quinidine barbiturate,approved,,,,,PA164783957,,,,,,,171719,53461739,CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C,"InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)",YHRUERMOPBDCFD-UHFFFAOYSA-N
DB01347,146623-69-0,Saprisartan,experimental,10579749,,,,PA164746338,,,ZINC000003919581,CHEMBL305544,50469901,,190069,60921,CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O,"InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)",DUEWVPTZCSAMNB-UHFFFAOYSA-N
DB01348,83647-97-6,Spirapril,approved,"['7601014', '1382157', '10100366', '1382161']",C09AA11,D08529,36908,PA164776913,,2474,ZINC000004217459,CHEMBL431,50017124,SCH-33844,135756,40479741,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2,"InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1",HRWCVUIFMSZDJS-SZMVWBNQSA-N
DB01349,145733-36-4,Tasosartan,experimental,,C09CA05,,,PA164769057,,3839,ZINC000013444037,CHEMBL432162,50040439,,135666,60919,CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1,"InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)",ADXGNEYLLLSOAR-UHFFFAOYSA-N
DB01351,57-43-2,Amobarbital,"['illicit', 'approved']","['15381635', '684279', '3437019', '1489761', '5855308']","['N05CB01', 'N05CA02']",D00555,719,PA448401,,184,ZINC000004811698,CHEMBL267894,,AMYTAL SODIUM,2673,2164,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,"InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",VIROVYVQCGLCII-UHFFFAOYSA-N
DB01352,77-02-1,Aprobarbital,"['experimental', 'illicit']",,N05CA05,D00698,17381,PA164754809,,232,ZINC000018167382,CHEMBL7863,,,2791,6464,CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",UORJNBVJVRLXMQ-UHFFFAOYSA-N
DB01353,77-28-1,Butobarbital,"['illicit', 'approved']",,N05CA03,D02618,19874,PA164748035,,449,ZINC000005514900,CHEMBL404422,,,134884,6473,CCCCC1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",STDBAQMTJLUMFW-UHFFFAOYSA-N
DB01354,509-86-4,Heptabarbital,experimental,,N05CA11,,,PA164783812,,1360,ZINC000005651594,CHEMBL468837,,,81297,10518,CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1,"InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)",PAZQYDJGLKSCSI-UHFFFAOYSA-N
DB01355,56-29-1,Hexobarbital,experimental,"['7614008', '8255925', '9586853', '15577260']","['N01AF02', 'N05CA16']",D01071,5302,PA449875,,1369,,CHEMBL7728,,,5706,3608,CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)",UYXAWHWODHRRMR-UHFFFAOYSA-N
DB01356,7439-93-2,Lithium cation,experimental,20453535,,,1546265,PA450243,LI,,,CHEMBL1234004,,,49713,28486,[Li+],InChI=1S/Li/q+1,HBBGRARXTFLTSG-UHFFFAOYSA-N
DB01357,72-33-3,Mestranol,approved,,,D00575,6782,PA450388,,1714,ZINC000003815424,CHEMBL1201151,,MESTRANOL,6784,6291,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3,"InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1",IMSSROKUHAOUJS-MJCUULBUSA-N
DB01359,38363-40-5,Penbutolol,"['approved', 'investigational']","['1468487', '2189902', '1974610', '15595665', '2359502', '8174208']","['C07CA23', 'C07AA23']",D08074,7973,PA164749474,,2078,ZINC000000001898,CHEMBL1290,50470808,LEVATOL,7954,37464,CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1,"InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1",KQXKVJAGOJTNJS-HNNXBMFYSA-N
DB01362,66108-95-0,Iohexol,approved,"['3896713', '3882609']",V08AB02,D01817,5956,PA450061,,1461,,CHEMBL1200455,50247977,IOHEXOL,31709,3730,CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,"InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)",NTHXOOBQLCIOLC-UHFFFAOYSA-N
DB01363,,Ephedra sinica root,nutraceutical,"['12916063', '10189265', '12639079', '11117974']",,,1724424,PA164777031,,,,,,,,,,,
DB01364,299-42-3,Ephedrine,approved,"['30391401', '30738019', '786688', '31613441', '973934', '29090733', '20315579']","['R01AB05', 'C01CA26', 'A08AA56', 'R01AA03', 'R03CA02', 'S01FB02']",D00124,3966,PA449466,,1024,ZINC000000074836,CHEMBL211456,,EPHEDRINE,15407,9294,CN[C@@H](C)[C@H](O)C1=CC=CC=C1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1",KWGRBVOPPLSCSI-WPRPVWTQSA-N
DB01365,100-92-5,Mephentermine,approved,,C01CA11,D08180,6756,PA164745533,,1694,ZINC000008132748,CHEMBL1201234,81455,MEPHENTERMINE SULFATE,6755,3677,CNC(C)(C)CC1=CC=CC=C1,"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",RXQCGGRTAILOIN-UHFFFAOYSA-N
DB01366,72332-33-3,Procaterol,"['approved', 'investigational']",,"['R03CC08', 'R03AC16']",,34530,PA164748908,,2273,ZINC000019632678,CHEMBL3249705,,,135209,688563,CC[C@@H](NC(C)C)[C@@H](O)C1=CC=C(O)C2=C1C=CC(=O)N2,"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m1/s1",FKNXQNWAXFXVNW-WBMJQRKESA-N
DB01367,136236-51-6,Rasagiline,approved,"['20600573', '20517484', '18035186']",N04BD02,D08469,134748,PA164764584,RAU,3521,ZINC000019875504,CHEMBL887,10989,AZILECT,63620,3052776,C#CCN[C@@H]1CCC2=CC=CC=C12,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1",RUOKEQAAGRXIBM-GFCCVEGCSA-N
DB01369,120138-50-3,Quinupristin,approved,"['11764864', '11190346', '10651391', '11219478']",,D00852,229367,PA164749647,,2349,ZINC000150338707,CHEMBL1200649,,QUINUPRISTIN,,5388937,[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=NC=CC=C1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)[C@]([H])(CS[C@@H]3CN4CCC3CC4)CN1C(=O)[C@H](CC1=CC=C(C=C1)N(C)C)N(C)C2=O)C1=CC=CC=C1,"InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1",WTHRRGMBUAHGNI-LCYNINFDSA-N
DB01370,7429-90-5,Aluminium,"['approved', 'investigational']",,,,1311504,PA164760864,,,,,,,30136,14488,[Al],InChI=1S/Al,XAGFODPZIPBFFR-UHFFFAOYSA-N
DB01373,7440-70-2,Calcium,nutraceutical,"['16481635', '9278463', '16034903', '15885294', '15860827']","['M05BB05', 'M05BB02', 'A11AA02', 'M05BB01', 'M05BB08', 'A11GB01', 'M05BB04']",,1895,PA164712582,,,,,,,29320,5460341,[Ca],InChI=1S/Ca,OYPRJOBELJOOCE-UHFFFAOYSA-N
DB01375,7047-84-9,Aluminium monostearate,experimental,,,D01867,,PA164746763,,,,CHEMBL3185220,,,31197,10246924,CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O,"InChI=1S/C18H36O2.Al.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;2*1H2/q;+3;;/p-3",UGMCXQCYOVCMTB-UHFFFAOYSA-K
DB01377,1309-48-4,Magnesium oxide,approved,"['10426331', '10930190']","['A02AA02', 'A12CC10', 'A06AD02']",D01167,6582,PA450298,,4293,,,,,,6850729,[O--].[Mg++],InChI=1S/Mg.O/q+2;-2,AXZKOIWUVFPNLO-UHFFFAOYSA-N
DB01378,22537-22-0,Magnesium cation,"['approved', 'nutraceutical']",,,,1426853,PA164712884,MG,,,,,,18420,888,[Mg++],InChI=1S/Mg/q+2,JLVVSXFLKOJNIY-UHFFFAOYSA-N
DB01380,50-04-4,Cortisone acetate,"['approved', 'investigational']","['23300763', '30285357', '18140647', '24347992', '15634032', '32034322']",,D00973,21655,PA449130,,734,ZINC000003875334,CHEMBL1650,50455157,CORTISONE ACETATE,3897,5745,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",ITRJWOMZKQRYTA-RFZYENFJSA-N
DB01381,90045-36-6,Ginkgo biloba,"['approved', 'nutraceutical', 'investigational']","['23781271', '23538078', '21941584', '9611693', '27414695', '10807109', '31082068']","['N06DA53', 'N06DX02']",,236809,PA449758,,,,,,,,,,,
DB01382,339-44-6,Glymidine,"['approved', 'investigational']",,"['A10BC01', 'G01AE10']",,102848,PA164748839,,,ZINC000002040778,CHEMBL1697838,,,146188,9565,COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1,"InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)",QFWPJPIVLCBXFJ-UHFFFAOYSA-N
DB01384,53-33-8,Paramethasone,experimental,,H02AB05,D07464,7910,PA164777035,,,ZINC000004097384,CHEMBL1579,,,7922,5875,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1",MKPDWECBUAZOHP-AFYJWTTESA-N
DB01388,116644-53-2,Mibefradil,"['withdrawn', 'investigational']",,C08CX01,,83213,PA450492,MWV,1797,ZINC000003782486,CHEMBL45816,50117922,POSICOR,6920,60663,COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C,"InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1",HBNPJJILLOYFJU-VMPREFPWSA-N
DB01390,144-55-8,Sodium bicarbonate,approved,,"['B05XA02', 'B05CB04']",D01203,36676,PA451375,,,,CHEMBL1353,,SODIUM BICARBONATE,32139,139036594,[Na+].OC([O-])=O,"InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",UIIMBOGNXHQVGW-UHFFFAOYSA-M
DB01392,146-48-5,Yohimbine,"['vet_approved', 'approved', 'investigational']",20036429,G04BE04,,220982,PA451946,,3659,ZINC000003860825,CHEMBL15245,50203564,YOHIMBINE,10093,8969,[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2,"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1",BLGXFZZNTVWLAY-SCYLSFHTSA-N
DB01393,41859-67-0,Bezafibrate,"['approved', 'investigational']","['15123532', '15911729', '10880410', '16606809']",C10AB02,D01366,1525,PA162364313,PEM,362,ZINC000003956919,CHEMBL264374,28701,BM 15.075,47612,39042,CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",IIBYAHWJQTYFKB-UHFFFAOYSA-N
DB01394,64-86-8,Colchicine,approved,"['27051312', '29359661', '27802478', '27729672', '26228647', '25151572', '20586571', '25274605', '24790727', '8035398', '18822468', '8525161']",M04AC01,D00570,2683,PA449092,LOC,726,ZINC000000621853,CHEMBL107,50014846,GLOPERBA,27882,6167,COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O,"InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1",IAKHMKGGTNLKSZ-INIZCTEOSA-N
DB01395,67392-87-4,Drospirenone,approved,"['25890012', '23577032', '22336820', '29573722', '17472544', '28986954', '28496369', '27593335', '21072278', '22208934', '27923166', '18728832', '26271371', '23090561', '29137347', '27026772', '28276140', '11024226']","['G03FA17', 'G03AA12', 'G03AC10']",D03917,11636,PA164749409,,968,ZINC000003927200,CHEMBL1509,150275,DROSPIRENONE,50838,68873,[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21,"InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1",METQSPRSQINEEU-HXCATZOESA-N
DB01396,71-63-6,Digitoxin,"['approved', 'investigational']","['11525233', '11395576', '11515708', '1469187']",C01AA04,D00297,3403,PA449316,F9R,881,ZINC000095862733,CHEMBL254219,46356,DIGITOXIN,28544,441207,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1,"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1",WDJUZGPOPHTGOT-XUDUSOBPSA-N
DB01397,18917-89-0,Magnesium salicylate,experimental,,,,52364,PA450300,,,,CHEMBL2106755,,MOMENTUM,6640,101611440,[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O,"InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2",MQHWFIOJQSCFNM-UHFFFAOYSA-L
DB01399,552-94-3,Salsalate,approved,,N02BA06,D00428,36108,PA164745462,,2420,ZINC000000002062,CHEMBL154111,85244,SALSALATE,9014,5161,OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O,"InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)",WVYADZUPLLSGPU-UHFFFAOYSA-N
DB01400,59-99-4,Neostigmine,"['vet_approved', 'approved']",,"['N07AA51', 'S01EB06', 'N07AA01']",D08261,7315,PA450611,,1897,ZINC000000001792,CHEMBL278020,50022775,NEOSTIGMINE METHYL SULFATE,7514,4456,CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C,"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1",ALWKGYPQUAPLQC-UHFFFAOYSA-N
DB01401,64425-90-7,Choline magnesium trisalicylate,approved,"['1728115', '1618240']",,,215799,PA164749164,,,,,,,,60147580,[Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O,"InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3",FQCQGOZEWWPOKI-UHFFFAOYSA-K
DB01403,60-99-1,Methotrimeprazine,"['approved', 'investigational']",,N05AA02,D00403,6852,PA164743234,,1752,ZINC000000020246,CHEMBL1764,50418049,METHOTRIMEPRAZINE,6838,72287,COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1,"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1",VRQVVMDWGGWHTJ-CQSZACIVSA-N
DB01404,50647-08-0,Ginseng,"['nutraceutical', 'investigational']","['6685799', '12732291', '12161497', '12568360', '14687309']",,,325526,PA164781150,,,,,,,,,,,
DB01405,108319-06-8,Temafloxacin,withdrawn,,J01MA05,D02469,37771,,,2584,,CHEMBL277100,,,77796,60021,CC1CN(CCN1)C1=C(F)C=C2C(=O)C(=CN(C2=C1)C1=C(F)C=C(F)C=C1)C(O)=O,"InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)",QKDHBVNJCZBTMR-UHFFFAOYSA-N
DB01406,17230-88-5,Danazol,approved,"['2404115', '2486535', '6998453']",G03XA01,D00289,3102,PA164749056,QA1,779,ZINC000003881958,CHEMBL1479,50423541,"WIN 17,757",4315,28417,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3,"InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1",POZRVZJJTULAOH-LHZXLZLDSA-N
DB01407,37148-27-9,Clenbuterol,"['vet_approved', 'approved', 'investigational']",,"['R03CC13', 'R03CC63', 'R03AC14']",,2580,PA164745640,,673,,CHEMBL49080,27958,CLENBUTEROL,174690,2783,CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",STJMRWALKKWQGH-UHFFFAOYSA-N
DB01408,81732-65-2,Bambuterol,investigational,,R03CC12,D07377,18751,PA164743113,,285,,CHEMBL521589,50235800,BAMBUTEROL,553827,54766,CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C,"InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3",ANZXOIAKUNOVQU-UHFFFAOYSA-N
DB01409,186691-13-4,Tiotropium,approved,19292598,"['R03BB54', 'R03BB04', 'R03AL06', 'R03AL10']",,69120,PA164769056,0HK,2677,ZINC000100008319,CHEMBL1900528,50066861,BA-679BR,90960,,[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1,"InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+",LERNTVKEWCAPOY-DZZGSBJMSA-N
DB01410,126544-47-6,Ciclesonide,"['approved', 'investigational']",17331475,"['R03BA08', 'R01AD13']",D01703,274964,PA164781399,,633,ZINC000003915154,CHEMBL2040682,50247997,ALVESCO,31397,6918155,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)COC(=O)C(C)C,"InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1",LUKZNWIVRBCLON-GXOBDPJESA-N
DB01411,103177-37-3,Pranlukast,investigational,16702733,R03DC02,,,PA134698661,KNT,2237,ZINC000001542146,CHEMBL21333,50023198,ONO-1078,94810,4887,O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1,"InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)",NBQKINXMPLXUET-UHFFFAOYSA-N
DB01412,83-67-0,Theobromine,investigational,"['15548587', '8280834']","['C03BD01', 'R03DA57', 'R03DA07']",,10437,PA451646,37T,2618,ZINC000000002151,CHEMBL1114,50014260,THEOBROMINE,28946,5429,CN1C=NC2=C1C(=O)NC(=O)N2C,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)",YAPQBXQYLJRXSA-UHFFFAOYSA-N
DB01413,88040-23-7,Cefepime,"['approved', 'investigational']",14720024,"['J01RA06', 'J01DE01']",D02376,20481,PA164754876,,535,,CHEMBL186,50350470,MAXIPIME,478164,5479537,CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1,"InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1",HVFLCNVBZFFHBT-ZKDACBOMSA-N
DB01414,10206-21-0,Cefacetrile,"['experimental', 'vet_approved']",,J01DB10,D07629,,PA164776752,,524,ZINC000003830496,CHEMBL2110602,,CEPHACETRILE SODIUM,135437,91562,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O,"InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1",RRYMAQUWDLIUPV-BXKDBHETSA-N
DB01415,97519-39-6,Ceftibuten,"['approved', 'investigational']",,J01DD14,D00922,20492,PA164744555,,562,ZINC000003871967,CHEMBL1605,50370586,7432-S,3510,5282242,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1",UNJFKXSSGBWRBZ-BJCIPQKHSA-N
DB01416,80210-62-4,Cefpodoxime,"['vet_approved', 'approved']",,J01DD13,D07650,20489,PA164746385,,,ZINC000003830453,CHEMBL1672,50292251,CEFPODOXIME,3504,6335986,[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1",WYUSVOMTXWRGEK-HBWVYFAYSA-N
DB01418,152-72-7,Acenocoumarol,"['approved', 'investigational']","['16611310', '15724697', '9684795', '16372822', '15613922', '18495950']",B01AA07,D07064,154,PA452632,,48,,CHEMBL397420,,MINI-SINTROM,53766,54676537,CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O,"InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3",VABCILAOYCMVPS-UHFFFAOYSA-N
DB01419,55300-29-3,Antrafenine,approved,,,,,PA164784000,,3677,ZINC000053073961,CHEMBL345524,,,135841,68723,FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1,"InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)",NWGGKKGAFZIVBJ-UHFFFAOYSA-N
DB01420,57-85-2,Testosterone propionate,"['withdrawn', 'vet_approved', 'approved', 'investigational']",3782423,,D00959,10382,PA164751373,,4146,ZINC000000490791,CHEMBL1170,50215709,TESTOSTERONE PROPIONATE,9466,5995,[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1",PDMMFKSKQVNJMI-BLQWBTBKSA-N
DB01421,7542-37-2,Paromomycin,"['approved', 'investigational']",11587639,A07AA06,,7934,PA164784023,PAR,2067,ZINC000060183170,CHEMBL370143,50240054,PARGONYL,7934,165580,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",UOZODPSAJZTQNH-LSWIJEOBSA-N
DB01422,4008-48-4,Nitroxoline,experimental,30184207,J01XX07,,31901,PA164754993,HNQ,1954,ZINC000015831592,CHEMBL1454910,64987,,67121,19910,OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O,"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H",RJIWZDNTCBHXAL-UHFFFAOYSA-N
DB01423,72324-18-6,Stepronin,experimental,,R05CB11,,2375829,PA164748630,,2479,,CHEMBL2107531,50248155,,135129,54120,CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O,"InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)",JNYSEDHQJCOWQU-UHFFFAOYSA-N
DB01424,58-15-1,Aminophenazone,"['withdrawn', 'approved']",9266210,"['N02BB03', 'N02BB73', 'N02BB53']",D00556,695,PA164748135,,171,ZINC000000057115,CHEMBL288470,74258,,160246,6009,CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,"InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3",RMMXTBMQSGEXHJ-UHFFFAOYSA-N
DB01425,59338-93-1,Alizapride,investigational,3048762,A03FA05,,17311,PA164744894,,120,,CHEMBL290194,50023804,ALIZAPRIDE,94316,43008,COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C,"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)",KSEYRUGYKHXGFW-UHFFFAOYSA-N
DB01426,4360-12-7,Ajmaline,"['experimental', 'approved']",12804922,C01BA05,D00199,423,PA164776839,,100,,CHEMBL2357792,,,28462,441080,[H][C@]12C[C@]34[C@H](O)C1[C@@]1([H])C[C@]([H])(N2[C@H](O)[C@H]1CC)[C@]3([H])N(C)C1=CC=CC=C41,"InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1",CJDRUOGAGYHKKD-HEFSZTOGSA-N
DB01427,60719-84-8,Amrinone,approved,,C01CE01,D00231,738,PA164746803,,201,ZINC000008673078,CHEMBL12856,34651,,2686,3698,NC1=CC(=CNC1=O)C1=CC=NC=C1,"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)",RNLQIBCLLYYYFJ-UHFFFAOYSA-N
DB01428,131-57-7,Oxybenzone,"['approved', 'investigational']",16433806,,D05309,32673,PA164742933,,3412,ZINC000000136138,CHEMBL1625,50253134,OXYBENZONE,34283,4632,COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",DXGLGDHPHMLXJC-UHFFFAOYSA-N
DB01429,37640-71-4,Aprindine,experimental,,C01BB04,D01326,1054,PA164764496,,231,ZINC000001420561,CHEMBL1213033,,,135370,2218,CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1,"InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3",NZLBHDRPUJLHCE-UHFFFAOYSA-N
DB01430,27469-53-0,Almitrine,approved,,R07AB07,D07126,528,PA164750492,,127,ZINC000004214772,CHEMBL1183717,,VECTARION,53778,33887,FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1,"InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)",OBDOVFRMEYHSQB-UHFFFAOYSA-N
DB01431,432-60-0,Allylestrenol,experimental,,G03DC01,D01374,525,PA164745307,,125,ZINC000004214767,CHEMBL3185133,,,31189,235905,[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],"InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1",ATXHVCQZZJYMCF-XUDSTZEESA-N
DB01432,11041-12-6,Cholestyramine,"['approved', 'investigational']",,C10AC01,,2447,PA448974,,,,,,,,,,,
DB01433,509-74-0,Methadyl acetate,"['experimental', 'illicit']",,,,6814,PA164746889,,1729,,CHEMBL170179,50027391,ACETYLMETHADOL,135491,10517,CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3",XBMIVRRWGCYBTQ-UHFFFAOYSA-N
DB01434,734-32-7,19-norandrostenedione,"['experimental', 'illicit']",18325697,,,,,,,ZINC000004428372,,,,34187,92834,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1",JRIZOGLBRPZBLQ-QXUSFIETSA-N
DB01435,60-80-0,Antipyrine,"['approved', 'investigational']",,"['N02BB71', 'S02DA03', 'N02BB01', 'N02BB51']",D01776,1001,PA448453,,861,ZINC000000061044,CHEMBL277474,50103600,ANTIPYRINE,31225,2206,CN1N(C(=O)C=C1C)C1=CC=CC=C1,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",VEQOALNAAJBPNY-UHFFFAOYSA-N
DB01436,41294-56-8,Alfacalcidol,"['approved', 'nutraceutical']","['10780869', '17668216', '16172518', '10485984', '18979152', '23713871', '17438884', '15977462']","['A11CC03', 'M05BB06']",D01518,12062,PA164746469,M9B,130,ZINC000012484965,CHEMBL1601669,,BONDIOL,31186,5282181,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1",OFHCOWSQAMBJIW-AVJTYSNKSA-N
DB01437,77-21-4,Glutethimide,"['illicit', 'approved']",,N05CE01,D00532,4903,PA164749505,,1313,,CHEMBL1102,,,5439,3487,CCC1(CCC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)",JMBQKKAJIKAWKF-UHFFFAOYSA-N
DB01438,94-78-0,Phenazopyridine,approved,"['18796223', '982458', '8498084', '12901999', '16897003', '25516057', '20976818', '872925', '31006341', '20196783', '2352143', '29501712', '31179913']",G04BX06,D08346,8120,PA164746899,,2120,ZINC000095483532,CHEMBL1242,50420356,PHENAZOPYRIDINE HYDROCHLORIDE,,,NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1,"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+",QPFYXYFORQJZEC-FOCLMDBBSA-N
DB01439,86052-04-2,3-Methylthiofentanyl,"['experimental', 'illicit']",,,,,,,,,CHEMBL2365680,,,53763,62296,CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C1=CC=CC=C1,"InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3",SRARDYUHGVMEQI-UHFFFAOYSA-N
DB01440,591-81-1,gamma-Hydroxybutyric acid,"['illicit', 'approved', 'investigational']",,,,2387302,PA10819,,,ZINC000001532805,CHEMBL1342,50023575,GAMMA-HYDROXYBUTYRATE,30830,10413,OCCCC(O)=O,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)",SJZRECIVHVDYJC-UHFFFAOYSA-N
DB01441,4021-34-5,"5-Methoxy-N,N-diisopropyltryptamine","['experimental', 'illicit']",,,,,,,,ZINC000002583773,CHEMBL2140942,,,48282,151182,COC1=CC2=C(NC=C2CCN(C(C)C)C(C)C)C=C1,"InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17/h6-7,10-13,18H,8-9H2,1-5H3",DNBPMBJFRRVTSJ-UHFFFAOYSA-N
DB01442,13674-05-0,MMDA,"['experimental', 'illicit']",,,,,,,,,CHEMBL126506,,,,26175,COC1=CC(CC(C)N)=CC2=C1OCO2,"InChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3",YQYUWUKDEVZFDB-UHFFFAOYSA-N
DB01443,19289-77-1,19-Nor-5-androstenedione,"['experimental', 'illicit']",,,,,,,,,,,,,18633059,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)CC3=CC[C@@]21[H],"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,13-16H,3-10H2,1H3/t13-,14+,15+,16-,18-/m0/s1",WELNRNVZXWUOGT-QXUSFIETSA-N
DB01444,524-84-5,Dimethylthiambutene,"['experimental', 'illicit']",,,,,,,3156,,CHEMBL2106265,,,59781,10668,CC(C=C(C1=CC=CS1)C1=CC=CS1)N(C)C,"InChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3",CANBGVXYBPOLRR-UHFFFAOYSA-N
DB01445,487-93-4,Bufotenine,"['experimental', 'illicit']","['1058643', '10350367', '16732341', '8747157', '9468359']",,,,,,,ZINC000000001070,CHEMBL416526,50024206,,3210,10257,CN(C)CCC1=CNC2=C1C=C(O)C=C2,"InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3",VTTONGPRPXSUTJ-UHFFFAOYSA-N
DB01446,299-26-3,Indopan,"['experimental', 'illicit']",,,,,,,,,CHEMBL30713,50014210,,59020,9287,CC(N)CC1=CNC2=CC=CC=C12,"InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3",QSQQQURBVYWZKJ-UHFFFAOYSA-N
DB01447,3568-94-3,4-Methylaminorex,"['experimental', 'illicit']","['9120777', '1973111', '1358636']",,,,,,,,,,,,92196,CC1N=C(N)OC1C1=CC=CC=C1,"InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)",LJQBMYDFWFGESC-UHFFFAOYSA-N
DB01448,,19-Nor-4-androstenedione,"['experimental', 'illicit']",,,,,,,,,,,,,,,,
DB01450,14357-76-7,Dihydroetorphine,"['experimental', 'illicit']",,,,,,,,ZINC000005843973,,,,,107765,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)CCC,"InChI=1S/C25H35NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1",BRTSNYPDACNMIP-FAWZKKEFSA-N
DB01451,571-40-4,1-Androstenedione,"['experimental', 'illicit']",,,,,,,,ZINC000013512012,,,,133930,11196935,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1",WJIQCDPCDVWDDE-WZNAKSSCSA-N
DB01452,561-27-3,Diamorphine,"['illicit', 'approved', 'investigational']","['16433897', '18945270', '12404073', '11557911']",N07BC06,D07286,3304,PA452619,,4412,ZINC000004097183,CHEMBL459324,,DIACETYLMORPHINE HYDROCHLORIDE,27808,5462328,[H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5,"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1",GVGLGOZIDCSQPN-PVHGPHFFSA-N
DB01453,78995-10-5,Beta-hydroxyfentanyl,"['experimental', 'illicit']",,,,,,,,,CHEMBL3302622,,,,62278,CCC(=O)N(C1CCN(CC(O)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C22H28N2O2/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18/h3-12,20-21,25H,2,13-17H2,1H3",JEFVHLMGRUJLET-UHFFFAOYSA-N
DB01454,42542-10-9,Midomafetamine,"['experimental', 'illicit', 'investigational']","['16911722', '16220332', '16353949']",,,,PA131887008,,,,CHEMBL43048,50010588,MIDOMAFETAMINE,1391,1615,CNC(C)CC1=CC2=C(OCO2)C=C1,"InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3",SHXWCVYOXRDMCX-UHFFFAOYSA-N
DB01455,25975-59-1,19-Nor-5-androstenediol,"['experimental', 'illicit']",,,,,,,,ZINC000012496354,CHEMBL259126,50423550,,,9900246,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](O)CC3=CC[C@@]21[H],"InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1",VVUQRXPUVKXAIO-XFUVECHXSA-N
DB01456,571-36-8,5-androstenedione,"['experimental', 'illicit']",,,,,,,,ZINC000100041759,CHEMBL1743203,,,83865,160531,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(=O)CC[C@]12C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",SQGZFRITSMYKRH-QAGGRKNESA-N
DB01458,207740-26-9,"2,5-Dimethoxy-4-(n)-propylthiophenethylamine","['experimental', 'illicit']",,,,,,,,ZINC000002513913,CHEMBL126432,,,,24728635,CCCSC1=CC(OC)=C(CCN)C=C1OC,"InChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3",OLEVEPDJOFPJTF-UHFFFAOYSA-N
DB01459,15301-48-1,Bezitramide,"['withdrawn', 'experimental', 'illicit']",6519169,N02AC05,,,,,363,,CHEMBL2104149,,,135794,61791,CCC(=O)N1C(=O)N(C2CCN(CCC(C#N)(C3=CC=CC=C3)C3=CC=CC=C3)CC2)C2=CC=CC=C12,"InChI=1S/C31H32N4O2/c1-2-29(36)35-28-16-10-9-15-27(28)34(30(35)37)26-17-20-33(21-18-26)22-19-31(23-32,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26H,2,17-22H2,1H3",FLKWNFFCSSJANB-UHFFFAOYSA-N
DB01460,61-51-8,Diethyltryptamine,"['experimental', 'illicit']",,,,,,,,ZINC000001999162,CHEMBL142936,50094676,,184081,6090,CCN(CC)CCC1=CNC2=CC=CC=C12,"InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3",LSSUMOWDTKZHHT-UHFFFAOYSA-N
DB01461,509-78-4,Dimenoxadol,"['experimental', 'illicit']",,,,,,,3149,ZINC000001608965,CHEMBL2104309,,,135396,17036,CCOC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H25NO3/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(22)23-16-15-21(2)3/h5-14H,4,15-16H2,1-3H3",RHUWRJWFHUKVED-UHFFFAOYSA-N
DB01462,911-65-9,Etonitazene,"['experimental', 'illicit']",,,,,,,,ZINC000004215955,CHEMBL312040,50013847,,,13493,CCOC1=CC=C(CC2=NC3=C(C=CC(=C3)[N+]([O-])=O)N2CCN(CC)CC)C=C1,"InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3",PXDBZSCGSQSKST-UHFFFAOYSA-N
DB01463,1209-98-9,Fencamfamin,"['withdrawn', 'experimental', 'illicit']",1970543,N06BA06,,,PA164747055,,1146,,CHEMBL7010,,,134895,14584,CCNC1C2CCC(C2)C1C1=CC=CC=C1,"InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3",IKFBPFGUINLYQI-UHFFFAOYSA-N
DB01464,2385-81-1,Furethidine,"['experimental', 'illicit']",,,,,,,,,CHEMBL2105078,,,,61306,CCOC(=O)C1(CCN(CCOCC2CCCO2)CC1)C1=CC=CC=C1,"InChI=1S/C21H31NO4/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19/h3-5,7-8,19H,2,6,9-17H2,1H3",NNCOZXNZFLUYGG-UHFFFAOYSA-N
DB01465,2801-68-5,"2,5-Dimethoxyamphetamine","['experimental', 'illicit']",,,,,,,,,CHEMBL8642,50005251,,,62787,COC1=CC(CC(C)N)=C(OC)C=C1,"InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3",LATVFYDIBMDBSY-UHFFFAOYSA-N
DB01466,76-58-4,Ethylmorphine,"['experimental', 'illicit']","['9140136', '7654478']","['R05DA01', 'S01XA06']",D07929,4166,,,3207,ZINC000003629718,CHEMBL1712170,,,4902,5359271,[H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1",OGDVEMNWJVYAJL-LEPYJNQMSA-N
DB01467,22004-32-6,"2,5-Dimethoxy-4-ethylamphetamine","['experimental', 'illicit']",,,,,,,,,CHEMBL8224,81965,,191249,27402,CCC1=CC(OC)=C(CC(C)N)C=C1OC,"InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3",HXJKWPGVENNMCC-UHFFFAOYSA-N
DB01468,441-61-2,Ethylmethylthiambutene,"['experimental', 'illicit']",,,,,,,3206,,CHEMBL2106526,,,135149,46424,CCN(C)C(C)C=C(C1=CC=CS1)C1=CC=CS1,"InChI=1S/C15H19NS2/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15/h5-12H,4H2,1-3H3",MORSAEFGQPDBKM-UHFFFAOYSA-N
DB01469,25333-77-1,Acetorphine,"['experimental', 'illicit']",,,,,,,,ZINC000072266292,CHEMBL3989451,,,,20055090,[H][C@@]12OC3=C(OC(C)=O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@@]11C[C@]([H])([C@](C)(O)CCC)[C@]2(OC)C=C1,"InChI=1S/C27H35NO5/c1-6-9-24(3,30)19-15-25-10-11-27(19,31-5)23-26(25)12-13-28(4)20(25)14-17-7-8-18(32-16(2)29)22(33-23)21(17)26/h7-8,10-11,19-20,23,30H,6,9,12-15H2,1-5H3/t19-,20-,23-,24-,25-,26+,27-/m1/s1",LFYBMMHFJIAKFE-PMEKXCSPSA-N
DB01470,103963-66-2,alpha-methylthiofentanyl,illicit,,,,,,,,,CHEMBL2365807,,,,62309,CCC(=O)N(C1CCN(CC1)C(C)CC1=CC=CS1)C1=CC=CC=C1,"InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)19-11-13-22(14-12-19)17(2)16-20-10-7-15-25-20/h4-10,15,17,19H,3,11-14,16H2,1-2H3",YPOXDUYRRSUFFG-UHFFFAOYSA-N
DB01471,1605-89-6,Bolasterone,"['experimental', 'illicit']",,,D03144,,,,,ZINC000004215039,CHEMBL259548,50423546,,34583,102146,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1",IVFYLRMMHVYGJH-VLOLGRDOSA-N
DB01472,64-13-1,4-Methoxyamphetamine,"['experimental', 'illicit']",,,,,,,,,CHEMBL278663,50024209,,,31721,COC1=CC=C(CC(C)N)C=C1,"InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3",NEGYEDYHPHMHGK-UHFFFAOYSA-N
DB01473,468-59-7,Betaprodine,"['experimental', 'illicit']",,,,,,,,ZINC000004626727,CHEMBL3187964,,,,5284516,[H][C@@]1(C)CN(C)CC[C@]1(OC(=O)CC)C1=CC=CC=C1,"InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16-/m1/s1",UVAZQQHAVMNMHE-CZUORRHYSA-N
DB01474,571-03-9,"17alpha-methyl-3beta,17beta-dihydroxyandrost-4-ene","['experimental', 'illicit']",,,,,,,,,,,,,69259387,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,14-17,21-22H,4-11H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1",BNUOCVTVOYWNJC-DTMQFJJTSA-N
DB01475,467-86-7,Dioxaphetyl butyrate,"['experimental', 'illicit']",,,,,,,3733,,CHEMBL2106284,,,135489,48194,CCOC(=O)C(CCN1CCOCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H27NO3/c1-2-26-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3",LQGIXNQCOXNCRP-UHFFFAOYSA-N
DB01476,59128-97-1,Haloxazolam,"['experimental', 'illicit']",,,D01758,,,,1357,,CHEMBL2104461,,,31666,3563,FC1=CC=CC=C1C12OCCN1CC(=O)NC1=C2C=C(Br)C=C1,"InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)",XDKCGKQHVBOOHC-UHFFFAOYSA-N
DB01477,125-27-9,Codeine methylbromide,"['experimental', 'illicit']",,,,,,,,,,,,,5362447,[Br-].[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CC[N+](C)(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C19H24NO3.BrH/c1-20(2)9-8-19-12-5-6-14(21)18(19)23-17-15(22-3)7-4-11(16(17)19)10-13(12)20;/h4-7,12-14,18,21H,8-10H2,1-3H3;1H/q+1;/p-1/t12-,13+,14-,18-,19-;/m0./s1",KIKLDWULAZATJG-YZZSNFJZSA-M
DB01478,13147-09-6,Desmethylprodine,"['experimental', 'illicit']",11768626,,,,,,,ZINC000001850715,CHEMBL279865,,,,61583,CCC(=O)OC1(CCN(C)CC1)C1=CC=CC=C1,"InChI=1S/C15H21NO2/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3",BCQMRZRAWHNSBF-UHFFFAOYSA-N
DB01479,641-82-7,BA-2664,"['experimental', 'illicit']",,,,,,,,ZINC000004073945,CHEMBL3544564,,,79878,242493,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1",QGKQXZFZOIQFBI-XSWYFRFISA-N
DB01480,4406-22-8,Cyprenorphine,"['experimental', 'illicit']",,,,,,,,ZINC000004215495,CHEMBL2110789,,,,20054882,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@@]11C[C@]([H])(C(C)(C)O)[C@]2(OC)C=C1,"InChI=1S/C26H33NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-9,15,18-19,22,28-29H,4-5,10-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1",VSKIOMHXEUHYSI-KNLIIKEYSA-N
DB01481,65-06-5,1-Testosterone,"['experimental', 'illicit', 'investigational']",16621347,,,,,,,ZINC000004791927,,,,59714,236666,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",OKJCFMUGMSVJBG-ABEVXSGRSA-N
DB01482,3736-08-1,Fenethylline,experimental,,N06BA10,,24840,,,1149,,CHEMBL2111152,,,135451,19527,CC(CC1=CC=CC=C1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3",NMCHYWGKBADVMK-UHFFFAOYSA-N
DB01483,57-44-3,Barbital,illicit,,N05CA04,,1325,PA448538,,289,ZINC000013545632,CHEMBL444,,BARBITAL,31252,2294,CCC1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)",FTOAOBMCPZCFFF-UHFFFAOYSA-N
DB01484,32156-26-6,"4-Bromo-2,5-dimethoxyamphetamine","['experimental', 'illicit']",,,,,,,,,CHEMBL6607,50005257,,,62065,COC1=CC(Br)=C(OC)C=C1CC(C)N,"InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3",FXMWUTGUCAKGQL-UHFFFAOYSA-N
DB01485,2141-17-5,4-Hydroxytestosterone,"['experimental', 'illicit']",17207827,,,,,,,ZINC000031460450,CHEMBL2431525,,,173052,160615,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C,"InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1",BQOIJSIMMIDHMO-FBPKJDBXSA-N
DB01486,492-39-7,Cathine,"['experimental', 'illicit']",12848785,A08AA07,D07627,32022,,,3389,ZINC000000001100,CHEMBL1412041,50405615,,4109,441457,C[C@H](N)[C@@H](O)C1=CC=CC=C1,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1",DLNKOYKMWOXYQA-IONNQARKSA-N
DB01487,15687-14-6,Embutramide,"['experimental', 'illicit']",,,D03984,2464539,,,,ZINC000002018676,CHEMBL2104668,,,,27453,CCC(CC)(CNC(=O)CCCO)C1=CC(OC)=CC=C1,"InChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)",LMBMDLOSPKIWAP-UHFFFAOYSA-N
DB01488,61-50-7,Dimethyltryptamine,"['experimental', 'illicit']","['8297216', '3412201']",,,,,,,ZINC000000897457,CHEMBL12420,50026868,"N,N-DIMETHYLTRYPTAMINE",28969,6089,CN(C)CCC1=CNC2=CC=CC=C12,"InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3",DMULVCHRPCFFGV-UHFFFAOYSA-N
DB01489,36104-80-0,Camazepam,"['experimental', 'illicit']","['7911374', '2878071', '2868088']",N05BA15,D07315,,,,469,,CHEMBL1095282,,,135570,37367,CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O,"InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3",PXBVEXGRHZFEOF-UHFFFAOYSA-N
DB01490,2207-50-3,Aminorex,"['experimental', 'illicit']",,,D02909,,,,175,,CHEMBL106258,85705,,134792,16630,NC1=NCC(O1)C1=CC=CC=C1,"InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)",SYAKTDIEAPMBAL-UHFFFAOYSA-N
DB01491,467-83-4,Dipipanone,"['experimental', 'illicit']",,,,23405,,,921,,CHEMBL2111157,,,135479,13331,CCC(=O)C(CC(C)N1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3",SVDHSZFEQYXRDC-UHFFFAOYSA-N
DB01493,965-90-2,Ethylestrenol,withdrawn,,A14AB02,,4162,PA449539,,1094,ZINC000004215863,CHEMBL1200623,,,31578,13765,[H][C@@]12CC[C@@](O)(CC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],"InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",AOXRBFRFYPMWLR-XGXHKTLJSA-N
DB01494,2218-68-0,Chloral betaine,"['withdrawn', 'illicit']",,,,89808,,,,,CHEMBL3833335,,,,16676,OC(O)C(Cl)(Cl)Cl.C[N+](C)(C)CC([O-])=O,"InChI=1S/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H",ONAOIDNSINNZOA-UHFFFAOYSA-N
DB01495,480-30-8,Dichloralphenazone,"['illicit', 'approved']",6106498,N05CC04,,22892,,,,,CHEMBL1697834,,,,10188,OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl.CN1N(C(=O)C=C1C)C1=CC=CC=C1,"InChI=1S/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H",ATKXDQOHNICLQW-UHFFFAOYSA-N
DB01496,959343-20-5,"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione","['experimental', 'illicit']",,,,,,,,ZINC000012500927,,,,,3003157,FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1,"InChI=1S/C16H11F3N2O3S/c17-16(18,19)11-4-2-1-3-9(11)12-6-5-8(24-12)7-10-13(22)20-15(25)21-14(10)23/h1-6,10H,7H2,(H2,20,21,22,23,25)",DNZPLHRZXUJATK-UHFFFAOYSA-N
DB01497,14521-96-1,Etorphine,"['illicit', 'vet_approved']",,,,,,,,,,,,,26721,[H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3,"InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17?,18-,21?,22?,23-,24+,25?/m1/s1",CAHCBJPUTCKATP-HBDRVVKHSA-N
DB01498,17199-54-1,Alphamethadol,"['experimental', 'illicit']",,,,,,,,ZINC000001587665,CHEMBL159660,50223632,,,62709,CC[C@@H](O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m1/s1",QIRAYNIFEOXSPW-YLJYHZDGSA-N
DB01499,468-51-9,Alphameprodine,"['experimental', 'illicit']",,,,,,,,,CHEMBL2104027,,,,61119,CC[C@H]1CN(C)CC[C@]1(OC(=O)CC)C1=CC=CC=C1,"InChI=1S/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3/t14-,17+/m0/s1",ODEGQXRCQDVXSJ-WMLDXEAASA-N
DB01500,4721-69-1,Oxabolone,"['experimental', 'illicit']",,,,,,,3802,,,,,135210,20055236,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C(O)=C3CC[C@@]21[H],"InChI=1S/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1",GXHBCWCMYVTJOW-YGRHGMIBSA-N
DB01501,28782-42-5,Difenoxin,"['illicit', 'approved']","['6675727', '8386327', '3682841']",A07DA04,D03809,23024,,,878,ZINC000000601317,CHEMBL1201321,,,4534,34328,OC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)",UFIVBRCCIRTJTN-UHFFFAOYSA-N
DB01502,552-25-0,Diampromide,"['experimental', 'illicit']",,,,,,,850,,CHEMBL2106220,,,135386,62370,CCC(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H28N2O/c1-4-21(24)23(20-13-9-6-10-14-20)17-18(2)22(3)16-15-19-11-7-5-8-12-19/h5-14,18H,4,15-17H2,1-3H3",RXTHKWVSXOIHJS-UHFFFAOYSA-N
DB01503,5323-27-3,1-Androstenediol,"['experimental', 'illicit']",,,,,,,,ZINC000055160979,,,,,11300765,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)C=C[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12-17,20-21H,3-6,8,10-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1",RZFGPAMUAXASRE-YSZCXEEOSA-N
DB01505,469-82-9,Etoxeridine,"['experimental', 'illicit']",,,D02151,,,,,ZINC000004215962,CHEMBL2104254,,,151084,61122,CCOC(=O)C1(CCN(CCOCCO)CC1)C1=CC=CC=C1,"InChI=1S/C18H27NO4/c1-2-23-17(21)18(16-6-4-3-5-7-16)8-10-19(11-9-18)12-14-22-15-13-20/h3-7,20H,2,8-15H2,1H3",KJTKYGFGPQSRRA-UHFFFAOYSA-N
DB01506,2201-24-3,1-Phenylcyclohexylamine,"['experimental', 'illicit']",,,,,,,,ZINC000001718765,CHEMBL253838,,,,31862,NC1(CCCCC1)C1=CC=CC=C1,"InChI=1S/C12H17N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,13H2",RGZGRPPQZUQUCR-UHFFFAOYSA-N
DB01509,4764-17-4,Tenamfetamine,"['experimental', 'illicit']",,,,,,,,,CHEMBL6731,50005247,TENAMFETAMINE,166520,1614,CC(N)CC1=CC2=C(OCO2)C=C1,"InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3",NGBBVGZWCFBOGO-UHFFFAOYSA-N
DB01510,,Dehydrochloromethyltestosterone,"['experimental', 'illicit']",,,,,,,,,,,,,,,,
DB01511,2894-67-9,Delorazepam,"['experimental', 'illicit']","['6130594', '2875955', '7589052', '1782980', '6796270']",,D07784,,,,800,ZINC000001255325,CHEMBL268254,50026858,DELORAZEPAM,135295,17925,ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",CHIFCDOIPRCHCF-UHFFFAOYSA-N
DB01512,2183-56-4,Hydromorphinol,"['experimental', 'illicit']",,,,,,,,ZINC000004216508,CHEMBL1951706,,,,5463858,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@@H]2O,"InChI=1S/C17H21NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,11-12,15,19-21H,4-8H2,1H3/t11-,12+,15-,16-,17+/m0/s1",AABLHGPVOULICI-BRJGLHKUSA-N
DB01513,641-83-8,"17Alpha-methyl-3beta,17beta-dihydroxy-5alpha-androstane","['experimental', 'illicit']",,,,,,,,ZINC000005223451,,,,,101819,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-/m0/s1",QGKQXZFZOIQFBI-UYEYMFBJSA-N
DB01514,1239-29-8,Furazabol,illicit,,,,,,,,ZINC000004216375,CHEMBL1893554,,,31640,14708,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NON=C3C[C@]12C,"InChI=1S/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3/t12-,13+,14-,15-,18-,19-,20-/m0/s1",RGLLOUBXMOGLDQ-IVEVATEUSA-N
DB01515,519-09-5,Benzoylecgonine,"['experimental', 'illicit']",14661928,,,,,BCG,,ZINC000002572652,CHEMBL1231248,,,41001,24916772,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(O)=O)N2C,"InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1",GVGYEFKIHJTNQZ-RFQIPJPRSA-N
DB01516,1082-88-8,"3,4,5-Trimethoxyamphetamine","['experimental', 'illicit']",,,,,,,,,CHEMBL30336,50005256,,,31016,COC1=CC(CC(C)N)=CC(OC)=C1OC,"InChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3",WGTASENVNYJZBK-UHFFFAOYSA-N
DB01518,3691-78-9,Benzethidine,"['experimental', 'illicit']",,,,,,,,ZINC000004214975,CHEMBL2104234,,,,62516,CCOC(=O)C1(CCN(CCOCC2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C23H29NO3/c1-2-27-22(25)23(21-11-7-4-8-12-21)13-15-24(16-14-23)17-18-26-19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3",UVTBZAWTRVBTMK-UHFFFAOYSA-N
DB01520,21500-98-1,Tenocyclidine,"['experimental', 'illicit', 'investigational']",,,,,,,,ZINC000000002131,CHEMBL279676,50004107,,64610,62751,C1CCN(CC1)C1(CCCCC1)C1=CC=CS1,"InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2",JUZZEWSCNBCFRL-UHFFFAOYSA-N
DB01521,1093-58-9,Clostebol,"['experimental', 'illicit']",,,D07731,61686,,,3112,ZINC000004025021,CHEMBL2106571,,,135372,68947,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)CC[C@]12C,"InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1",KCZCIYZKSLLNNH-FBPKJDBXSA-N
DB01522,17199-59-6,Betacetylmethadol,"['experimental', 'illicit']",,,,,,,,ZINC000002007678,CHEMBL2105619,50223631,,,62710,CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1",XBMIVRRWGCYBTQ-GCJKJVERSA-N
DB01523,3861-76-5,Clonitazene,"['experimental', 'illicit']",,,,,,,,,CHEMBL2104616,,,,62528,CCN(CC)CCN1C(CC2=CC=C(Cl)C=C2)=NC2=C1C=CC(=C2)[N+]([O-])=O,"InChI=1S/C20H23ClN4O2/c1-3-23(4-2)11-12-24-19-10-9-17(25(26)27)14-18(19)22-20(24)13-15-5-7-16(21)8-6-15/h5-10,14H,3-4,11-13H2,1-2H3",GPZLDQAEBHTMPG-UHFFFAOYSA-N
DB01524,521-17-5,Androstenediol,"['experimental', 'illicit']",,,D00179,,,B81,214,ZINC000003814414,CHEMBL440283,50223237,,2710,10634,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",QADHLRWLCPCEKT-LOVVWNRFSA-N
DB01525,481-37-8,Ecgonine,"['experimental', 'illicit']",,,,,,,,ZINC000004098901,,,,4743,91460,[H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(O)=O)N2C,"InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1",PHMBVCPLDPDESM-FKSUSPILSA-N
DB01526,1156-92-9,4-Androstenediol,"['experimental', 'illicit']",,,,,,,,ZINC000003814413,CHEMBL195836,50410526,,34386,136297,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",BTTWKVFKBPAFDK-LOVVWNRFSA-N
DB01527,10389-73-8,Clortermine,experimental,,,D03566,,,,715,ZINC000000001204,CHEMBL1697833,,,134826,25223,CC(C)(N)CC1=CC=CC=C1Cl,"InChI=1S/C10H14ClN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3",HXCXASJHZQXCKK-UHFFFAOYSA-N
DB01528,15588-95-1,"4-Methyl-2,5-dimethoxyamphetamine","['experimental', 'illicit']",,,,,,,,,CHEMBL8600,50005265,,,85875,COC1=CC(CC(C)N)=C(OC)C=C1C,"InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3",NTJQREUGJKIARY-UHFFFAOYSA-N
DB01529,357-56-2,Dextromoramide,"['experimental', 'illicit']",,N02AC01,D07287,3290,,,843,ZINC000029402224,CHEMBL2365707,,,74274,92943,C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m1/s1",INUNXTSAACVKJS-OAQYLSRUSA-N
DB01530,1852-53-5,"5alpha-androstane-3alpha,17beta-diol","['experimental', 'illicit']",,,,,,,,ZINC000003814411,CHEMBL335062,50093445,,36713,15818,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB-KHOSGYARSA-N
DB01531,427-00-9,Desomorphine,"['experimental', 'illicit']",,,,,,,3134,ZINC000004215567,CHEMBL2106274,,,135119,5362456,[H][C@@]12CCC[C@@]3([H])[C@@]4([H])CC5=CC=C(O)C(O1)=C5[C@@]23CCN4C,"InChI=1S/C17H21NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h5-6,11-12,14,19H,2-4,7-9H2,1H3/t11-,12+,14-,17+/m0/s1",LNNWVNGFPYWNQE-GMIGKAJZSA-N
DB01532,101860-00-8,α-Methylacetylfentanyl,illicit,,,,,,,,,,,,,62307,CC(CC1=CC=CC=C1)N1CCC(CC1)N(C(C)=O)C1=CC=CC=C1,"InChI=1S/C22H28N2O/c1-18(17-20-9-5-3-6-10-20)23-15-13-22(14-16-23)24(19(2)25)21-11-7-4-8-12-21/h3-12,18,22H,13-17H2,1-2H3",OKTLVZBUKMRPLL-UHFFFAOYSA-N
DB01533,86-14-6,Diethylthiambutene,"['experimental', 'illicit']",,,,,,,,,CHEMBL2106573,,,,6833,CCN(CC)C(C)C=C(C1=CC=CS1)C1=CC=CS1,"InChI=1S/C16H21NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-13H,4-5H2,1-3H3",CBYWMRHUUVRIAF-UHFFFAOYSA-N
DB01534,3563-58-4,Chlorhexadol,"['experimental', 'illicit']",13880824,N05CC02,D07325,,,,596,,CHEMBL2104116,,,135097,19094,CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl,"InChI=1S/C8H15Cl3O3/c1-5(4-7(2,3)13)14-6(12)8(9,10)11/h5-6,12-13H,4H2,1-3H3",QVFWZNCVPCJQOP-UHFFFAOYSA-N
DB01535,59708-52-0,Carfentanil,"['illicit', 'vet_approved', 'investigational']",12712038,,,,,,,ZINC000004215196,CHEMBL290429,50012477,R-33799,61084,62156,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC,"InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3",YDSDEBIZUNNPOB-UHFFFAOYSA-N
DB01536,63-05-8,Androstenedione,"['experimental', 'illicit']",,,D00051,784,,ASD,215,ZINC000004428526,CHEMBL274826,91713,ANDROSTENEDIONE,16422,6128,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",AEMFNILZOJDQLW-QAGGRKNESA-N
DB01537,66142-81-2,"4-Bromo-2,5-dimethoxyphenethylamine","['experimental', 'illicit']",,,,,,,,ZINC000002564752,CHEMBL292821,50005267,,189669,98527,COC1=CC(Br)=C(OC)C=C1CCN,"InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",YMHOBZXQZVXHBM-UHFFFAOYSA-N
DB01538,3861-72-1,Acetyldihydrocodeine,"['experimental', 'illicit']",,R05DA12,,,,,69,,CHEMBL3092041,,,135453,5463874,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2OC(C)=O,"InChI=1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1",LGGDXXJAGWBUSL-BKRJIHRRSA-N
DB01539,3867-15-0,1-Piperidinocyclohexanecarbonitrile,"['experimental', 'illicit']",,,,,,,,ZINC000019618044,,,,,62529,N#CC1(CCCCC1)N1CCCCC1,InChI=1S/C12H20N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-10H2,WWSAYKJWUZJLRT-UHFFFAOYSA-N
DB01540,2747-16-2,17alpha-methyl-4-hydroxynandrolone,illicit,,,,,,,,ZINC000263614121,,,,,69249407,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C(O)=C3CC[C@@]21[H],"InChI=1S/C19H28O3/c1-18-9-7-12-11-5-6-16(20)17(21)14(11)4-3-13(12)15(18)8-10-19(18,2)22/h11-13,15,21-22H,3-10H2,1-2H3/t11-,12-,13-,15+,18+,19+/m1/s1",CLNUZOCYKSHICX-FAHHUNKHSA-N
DB01541,846-48-0,Boldenone,"['illicit', 'vet_approved']",,,D07536,2289408,,,,ZINC000004215042,CHEMBL209073,91719,,34584,13308,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",RSIHSRDYCUFFLA-DYKIIFRCSA-N
DB01542,25384-17-2,Allylprodine,"['experimental', 'illicit']",,,,,,,,,CHEMBL2103995,,,,32938,CCC(=O)OC1(CCN(C)CC1CC=C)C1=CC=CC=C1,"InChI=1S/C18H25NO2/c1-4-9-16-14-19(3)13-12-18(16,21-17(20)5-2)15-10-7-6-8-11-15/h4,6-8,10-11,16H,1,5,9,12-14H2,2-3H3",KGYFOSCXVAXULR-UHFFFAOYSA-N
DB01543,793-55-5,18-methyl-19-nortestosterone,"['experimental', 'illicit']",,,,,,,,ZINC000005955127,,,,,10039774,[H][C@@]12CC[C@H](O)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C19H28O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-18,21H,2-10H2,1H3/t14-,15+,16+,17-,18-,19-/m0/s1",FBYZQDCRLYHHHP-ZOFHRBRSSA-N
DB01544,1622-62-4,Flunitrazepam,"['illicit', 'approved']","['17287588', '7782744', '2883820', '11995921', '2570451']",N05CD03,D01230,4460,PA164781320,,1202,ZINC000003812994,CHEMBL13280,25878,FLUNITRAZEPAM,31622,3380,CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3",PPTYJKAXVCCBDU-UHFFFAOYSA-N
DB01545,29177-84-2,Ethyl loflazepate,"['experimental', 'illicit']",,N05BA18,D01293,24524,,,1092,,CHEMBL1213460,,,31573,3299,CCOC(=O)C1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)",CUCHJCMWNFEYOM-UHFFFAOYSA-N
DB01546,2235-90-7,Etryptamine,"['withdrawn', 'illicit', 'investigational']","['7855195', '9138441', '1722753', '14048556']",,D04092,,,,1117,,CHEMBL1619758,50025198,,134838,8367,CCC(N)CC1=CNC2=CC=CC=C12,"InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3",ZXUMUPVQYAFTLF-UHFFFAOYSA-N
DB01547,3176-03-2,Drotebanol,"['experimental', 'illicit']",,,D01496,,,,3168,ZINC000012500931,,,,,6916258,[H][C@]12CC3=C(C(OC)=C(OC)C=C3)[C@@]3(CCN1C)C[C@H](O)CC[C@@]23O,"InChI=1S/C19H27NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,13,15,21-22H,6-11H2,1-3H3/t13-,15-,18-,19-/m1/s1",LCAHPIFLPICNRW-SVYNMNNPSA-N
DB01548,14357-78-9,Diprenorphine,"['illicit', 'vet_approved']",,,,,,,,ZINC000004102215,CHEMBL281786,50001714,REVIVON,4650,443408,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O,"InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1",OIJXLIIMXHRJJH-KNLIIKEYSA-N
DB01549,2201-39-0,Rolicyclidine,"['experimental', 'illicit']",,,,,,,,ZINC000001481918,CHEMBL1719398,,,60805,62436,C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1,"InChI=1S/C16H23N/c1-3-9-15(10-4-1)16(11-5-2-6-12-16)17-13-7-8-14-17/h1,3-4,9-10H,2,5-8,11-14H2",FYOWWXMGDATDQY-UHFFFAOYSA-N
DB01550,16397-28-7,Fenproporex,"['withdrawn', 'experimental', 'illicit']","['16767304', '21723935', '19096898', '8889679', '18066718', '4637940', '3756624', '11054601', '10778932']",,D07947,24867,,,1161,,CHEMBL2105566,,,134837,61810,CC(CC1=CC=CC=C1)NCCC#N,"InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3",IQUFSXIQAFPIMR-UHFFFAOYSA-N
DB01551,125-28-0,Dihydrocodeine,"['illicit', 'approved']","['6628531', '12665158', '10510141']","['N02AA58', 'N02AJ02', 'N02AJ01', 'N02AA08']",D01481,23088,PA449322,,886,ZINC000004215736,CHEMBL1595,,DIHYDROCODEINE BITARTRATE,135276,5284543,[H][C@@]12OC3=C4C(C[C@H]5N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)=CC=C3OC,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",RBOXVHNMENFORY-DNJOTXNNSA-N
DB01552,468-50-8,Betameprodine,"['experimental', 'illicit']",,,,,,,,ZINC000004215000,CHEMBL2104168,,,,12218309,CC[C@@H]1CN(C)CC[C@]1(OC(=O)CC)C1=CC=CC=C1,"InChI=1S/C17H25NO2/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3/t14-,17-/m1/s1",ODEGQXRCQDVXSJ-RHSMWYFYSA-N
DB01553,24166-13-0,Cloxazolam,experimental,"['4753311', '1983433', '14984903', '19488979', '6123123']",N05BA22,D01268,21311,,,721,,CHEMBL2107254,220121,,31426,2816,ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1,"InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)",ZIXNZOBDFKSQTC-UHFFFAOYSA-N
DB01554,19793-20-5,Bolandiol,"['experimental', 'illicit']",,,,,,,3034,ZINC000026375797,CHEMBL307500,,,145661,9835303,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O,"InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1",CMXKUJNZWYTFJN-XFUVECHXSA-N
DB01555,17199-58-5,Alphacetylmethadol,"['experimental', 'illicit']",,,,,,,,ZINC000002007680,CHEMBL2107793,50223637,,,22308,CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1",XBMIVRRWGCYBTQ-XMSQKQJNSA-N
DB01556,461-78-9,Chlorphentermine,"['withdrawn', 'illicit']",13903304,,,,,,618,ZINC000000122765,CHEMBL1201269,85704,,3646,10007,CC(C)(N)CC1=CC=C(Cl)C=C1,"InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3",ZCKAMNXUHHNZLN-UHFFFAOYSA-N
DB01557,79704-88-4,α-Methylfentanyl,illicit,,,,,,,,,CHEMBL2022411,,,,62281,CCC(=O)N(C1CCN(CC1)C(C)CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)19(2)18-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3",NGTVDHYUFBKWID-UHFFFAOYSA-N
DB01558,1812-30-2,Bromazepam,"['illicit', 'approved', 'investigational']","['14517708', '8846617', '2570451', '2882883']",N05BA08,D01245,1749,PA10035,,399,ZINC000000001051,CHEMBL277062,,RO-5-3350,31302,2441,BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1,"InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)",VMIYHDSEFNYJSL-UHFFFAOYSA-N
DB01559,33671-46-4,Clotiazepam,"['illicit', 'approved']",709,N05BA21,D01328,2622,PA164752437,,718,ZINC000000001207,CHEMBL1697737,,CLOTIAZEPAM,31425,2811,CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl,"InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3",CHBRHODLKOZEPZ-UHFFFAOYSA-N
DB01560,71031-15-7,Cathinone,illicit,17852166,,,,,,,ZINC000053165481,CHEMBL2104047,,,4110,62258,C[C@H](N)C(=O)C1=CC=CC=C1,"InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1",PUAQLLVFLMYYJJ-ZETCQYMHSA-N
DB01561,846-46-8,Androstanedione,"['experimental', 'illicit']",,,,,,5SD,,ZINC000003881403,CHEMBL1230438,50025405,,15994,222865,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1",RAJWOBJTTGJROA-WZNAKSSCSA-N
DB01562,64-52-8,1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine,"['experimental', 'illicit']",12006905,,,,,,,,CHEMBL2361014,,,,60977,CC(=O)OC1(CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C21H25NO2/c1-18(23)24-21(20-10-6-3-7-11-20)13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3",BVURVTVDNWSNFN-UHFFFAOYSA-N
DB01563,302-17-0,Chloral hydrate,"['vet_approved', 'illicit', 'approved', 'investigational']",,N05CC01,D00265,2344,PA448925,,586,ZINC000003872049,CHEMBL455917,,CHLORAL HYDRATE,28142,2707,OC(O)C(Cl)(Cl)Cl,"InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H",RNFNDJAIBTYOQL-UHFFFAOYSA-N
DB01564,17021-26-0,Calusterone,"['experimental', 'illicit']",1501542,,,,,,468,ZINC000004215173,CHEMBL455706,,,135356,28204,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2=CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1",IVFYLRMMHVYGJH-PVPPCFLZSA-N
DB01565,509-60-4,Dihydromorphine,"['experimental', 'illicit']",,,,,,,,ZINC000004102205,CHEMBL1500,50452273,,4575,5359421,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O,"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",IJVCSMSMFSCRME-KBQPJGBKSA-N
DB01566,82801-81-8,Methylenedioxyethamphetamine,"['experimental', 'illicit']",,,,,,,,,CHEMBL126279,,,132234,105039,CCNC(C)CC1=CC2=C(OCO2)C=C1,"InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3",PVXVWWANJIWJOO-UHFFFAOYSA-N
DB01567,3900-31-0,Fludiazepam,"['experimental', 'illicit']","['2855634', '2857046']",N05BA17,D01354,,PA164745609,,1190,,CHEMBL13291,,ERISPAN,31618,3369,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,"InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3",ROYOYTLGDLIGBX-UHFFFAOYSA-N
DB01568,3688-65-1,Codeine-N-oxide,"['experimental', 'illicit']",,,,,,,,ZINC000247915557,,,,175049,5359929,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CC[N@+](C)([O-])[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19-/m0/s1",BDLSDHWCOJPHIE-KFUGMXNISA-N
DB01569,2454-11-7,Formebolone,"['experimental', 'illicit']",3985494,,,,,,1237,ZINC000004216332,CHEMBL2107419,,FORMEBOLONE,135456,17150,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C=O)=C[C@]12C,"InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1",AMVODTGMYSRMNP-GNIMZFFESA-N
DB01570,78995-14-9,Ohmefentanyl,illicit,,,,,,,,,CHEMBL333410,50033531,,194294,62279,CCC(=O)N(C1CCN(CC(O)C2=CC=CC=C2)CC1C)C1=CC=CC=C1,"InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3",FRPRNNRJTCONEC-UHFFFAOYSA-N
DB01571,42045-86-3,3-Methylfentanyl,illicit,,,,,,,,,CHEMBL4748291,,,61092,61996,CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1,"InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3",MLQRZXNZHAOCHQ-UHFFFAOYSA-N
DB01572,65-04-3,Methyl-1-testosterone,"['experimental', 'illicit']",,,,,,,,ZINC000004081584,,,,,7092657,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1",JRNSSSJKIGAFCT-YDSAWKJFSA-N
DB01573,14297-87-1,Benzylmorphine,"['experimental', 'illicit']",,,,,,,,ZINC000004214989,,,,,5362507,[H][C@@]12OC3=C(OCC4=CC=CC=C4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C24H25NO3/c1-25-12-11-24-17-8-9-19(26)23(24)28-22-20(27-14-15-5-3-2-4-6-15)10-7-16(21(22)24)13-18(17)25/h2-10,17-19,23,26H,11-14H2,1H3/t17-,18+,19-,23-,24-/m0/s1",RDJGWRFTDZZXSM-RNWLQCGYSA-N
DB01574,12174-11-7,Attapulgite,"['vet_approved', 'approved']","['18843696', '7657965']","['A07BC54', 'A07BC04']",,133050,PA164781017,,,,,,,,73415752,[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Al+3].[Si+4].[Si+4].[Si+4].[Si+4].[O-][H].[H]O[H].[H]O[H].[H]O[H].[H]O[H],InChI=1S/Al.Mg.5H2O.10O.4Si/h;;5*1H2;;;;;;;;;;;;;;/q+3;+2;;;;;;10*-2;4*+4/p-1,IXWIAFSBWGYQOE-UHFFFAOYSA-M
DB01575,1332-58-7,Kaolin,approved,21087799,A07BC02,,6102,PA10457,,,,,,,,92024769,O.O.[Al+3].[Al+3].[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-],"InChI=1S/2Al.O7Si2.2H2O/c;;1-8(2,3)7-9(4,5)6;;/h;;;2*1H2/q2*+3;-6;;",KGOIAFZMMLWXLM-UHFFFAOYSA-N
DB01576,51-64-9,Dextroamphetamine,"['illicit', 'approved']","['23699503', '14871155', '26607447', '28936175', '14520168']",N06BA02,D03740,3288,PA449269,1WE,841,ZINC000006021033,CHEMBL612,50022723,DEXAMFETAMINE,4469,5826,C[C@H](N)CC1=CC=CC=C1,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1",KWTSXDURSIMDCE-QMMMGPOBSA-N
DB01577,537-46-2,Metamfetamine,"['illicit', 'approved']","['12507968', '16128721', '12271905', '9519266', '15460293']",N06BA03,,6816,PA450403,B40,1732,ZINC000006021043,CHEMBL1201201,50359499,METHAMPEX,6809,10836,CN[C@@H](C)CC1=CC=CC=C1,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1",MYWUZJCMWCOHBA-VIFPVBQESA-N
DB01578,31112-62-6,Metrizamide,experimental,"['2568781', '6828715']",V08AB01,,6920,PA164742936,,1788,ZINC000150485244,,,,,20056604,CN(C(C)=O)C1=C(I)C(C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)=C(I)C(NC(C)=O)=C1I,"InChI=1S/C18H22I3N3O8/c1-6(27)22-14-11(19)10(12(20)15(13(14)21)24(3)7(2)28)18(32)23-8(4-25)16(30)17(31)9(29)5-26/h4,8-9,16-17,26,29-31H,5H2,1-3H3,(H,22,27)(H,23,32)/t8-,9+,16+,17+/m0/s1",DTZMSDADRKLCQE-RFMXWLSYSA-N
DB01579,634-03-7,Phendimetrazine,"['illicit', 'approved']",,,D08347,33272,PA450902,,2122,ZINC000022010387,CHEMBL1615439,,MELFIAT,8059,30487,C[C@H]1[C@@H](OCCN1C)C1=CC=CC=C1,"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1",MFOCDFTXLCYLKU-CMPLNLGQSA-N
DB01580,6452-71-7,Oxprenolol,approved,2897304,"['C07AA02', 'C07BA02', 'C07CA02']",,7801,PA10284,,2027,,CHEMBL546,50240370,,91704,4631,CC(C)NCC(O)COC1=CC=CC=C1OCC=C,"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",CEMAWMOMDPGJMB-UHFFFAOYSA-N
DB01581,127-79-7,Sulfamerazine,"['vet_approved', 'approved']",,"['D06BA06', 'J01EE07', 'G01AE10', 'J01ED07']",D02435,10176,PA164776842,,2510,ZINC000000057501,CHEMBL438,50238672,,102130,5325,CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",QPPBRPIAZZHUNT-UHFFFAOYSA-N
DB01582,57-68-1,Sulfamethazine,"['vet_approved', 'approved', 'investigational']",,"['J01EB03', 'G01AE10', 'J01EE05']",,10178,PA451542,,2502,ZINC000000057494,CHEMBL446,50238670,SULFADIMIDINE,102265,5327,CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR-UHFFFAOYSA-N
DB01583,8065-29-0,Liotrix,approved,341699,,D00361,,PA164748036,,,,,,,6485,71371,[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O,"InChI=1S/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1",LKYWLLWWYBVUPP-XOCLESOZSA-L
DB01584,9010-34-8,Thyroglobulin,"['withdrawn', 'approved']",10401666,,,10565,PA164754910,,,,,,,,,,,
DB01586,128-13-2,Ursodeoxycholic acid,"['approved', 'investigational']","['17335678', '17685473', '17019713']",A05AA02,D00734,11065,PA451837,IU5,2797,ZINC000003914809,CHEMBL1551,53721,URSODEOXYCHOLIC ACID,9907,31401,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1",RUDATBOHQWOJDD-UZVSRGJWSA-N
DB01587,27223-35-4,Ketazolam,approved,,N05BA10,,28181,PA164749385,,1525,,CHEMBL2104356,,,135556,33746,CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1,"InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3",PWAJCNITSBZRBL-UHFFFAOYSA-N
DB01588,2955-38-6,Prazepam,"['illicit', 'approved']",,N05BA11,D00470,8627,PA164776668,,2240,ZINC000000001971,CHEMBL969,,,8362,4890,ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1,"InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2",MWQCHHACWWAQLJ-UHFFFAOYSA-N
DB01589,36735-22-5,Quazepam,"['illicit', 'approved']",,N05CD10,D00457,35185,PA164744373,,2336,ZINC000000538266,CHEMBL1200472,,QUAZEPAM,8694,4999,FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2,"InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",IKMPWMZBZSAONZ-UHFFFAOYSA-N
DB01590,159351-69-6,Everolimus,approved,"['21047224', '23455452', '22899246', '11384247']","['L01XE10', 'L04AA18']",D02714,141704,PA164746311,,1118,ZINC000169677008,CHEMBL1908360,50088378,RAD001,68478,6442177,[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](OCCO)[C@@H](C1)OC,"InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",HKVAMNSJSFKALM-GKUWKFKPSA-N
DB01591,242478-37-1,Solifenacin,approved,"['19566112', '17011384']","['G04BD08', 'G04CA53']",D08522,322167,PA164783810,,2457,ZINC000003936683,CHEMBL1734,50344284,YM-67905,135530,154059,O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1,"InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1",FBOUYBDGKBSUES-VXKWHMMOSA-N
DB01592,7439-89-6,Iron,approved,,"['B03AE04', 'A11AA01', 'B03AE01', 'B03AE03', 'B03AE02']",,262150,PA450087,,4277,,,,,82664,23925,[Fe],InChI=1S/Fe,XEEYBQQBJWHFJM-UHFFFAOYSA-N
DB01593,7440-66-6,Zinc,"['approved', 'investigational']","['17244314', '25659970', '12142956', '18385818', '10801957', '29415457', '20856116', '22811602']",C05AX04,,11416,PA451956,,,,CHEMBL1201279,50259154,,27363,23994,[Zn],InChI=1S/Zn,HCHKCACWOHOZIP-UHFFFAOYSA-N
DB01594,75696-02-5,Cinolazepam,experimental,,N05CD13,D07328,,PA164748034,,656,,CHEMBL2104926,,,59514,3033621,OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O,"InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2",XAXMYHMKTCNRRZ-UHFFFAOYSA-N
DB01595,146-22-5,Nitrazepam,approved,"['10877119', '7782744', '1676167', '2883820', '2570451']",N05CD02,D00531,7440,PA10242,,1945,ZINC000004311748,CHEMBL13209,50020856,NITRAZEPAM,7581,4506,[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1,"InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)",KJONHKAYOJNZEC-UHFFFAOYSA-N
DB01597,82009-34-5,Cilastatin,"['approved', 'investigational']","['1382937', '3863619', '7492120', '8741235']",J01DH51,D07698,2540,PA448998,CIL,640,ZINC000004095696,CHEMBL766,50367502,MK-791,3697,6435415,CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1",DHSUYTOATWAVLW-WFVMDLQDSA-N
DB01598,64221-86-9,Imipenem,approved,"['18076336', '3530614', '9573653', '17488146', '6365872', '19076841', '3859213', '8741235', '1382937', '1921491']",J01DH51,,1545986,PA449968,,1426,ZINC000004097225,CHEMBL148,50213266,IMIPENEM,471744,104838,[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,"InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1",ZSKVGTPCRGIANV-ZXFLCMHBSA-N
DB01599,23288-49-5,Probucol,"['approved', 'investigational']",,C10AX02,D00476,8699,PA451107,,2269,ZINC000001530755,CHEMBL608,50007260,PROBUCOL,8427,4912,CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3",FYPMFJGVHOHGLL-UHFFFAOYSA-N
DB01600,33005-95-7,Tiaprofenic acid,approved,,M01AE11,,38253,PA164764503,,2652,,CHEMBL365795,223313,TIAPROFENIC ACID,32221,5468,CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)",GUHPRPJDBZHYCJ-UHFFFAOYSA-N
DB01601,192725-17-0,Lopinavir,approved,"['19108994', '9884314', '9835517', '22762019', '30346663', '21953914']",J05AR10,D01425,195088,PA450264,AB1,1601,ZINC000003951740,CHEMBL729,50180655,LOPINAVIR,31781,92727,CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1,"InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1",KJHKTHWMRKYKJE-SUGCFTRWSA-N
DB01602,50972-17-3,Bacampicillin,"['approved', 'investigational']",25480295,"['J01CR50', 'J01CA06']",,18687,PA164745461,,280,,CHEMBL1583,,BACAMPICILLIN HYDROCHLORIDE,2968,441397,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OC(C)OC(=O)OCC,"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1",PFOLLRNADZZWEX-FFGRCDKISA-N
DB01603,61-32-5,Meticillin,"['approved', 'investigational']",,"['J01CF03', 'J01CR50']",,2181306,PA164777034,MII,1744,ZINC000003831070,CHEMBL575,50103523,STAPHCILLIN,6827,6087,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OC)C=CC=C1OC)C(O)=O,"InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1",RJQXTJLFIWVMTO-TYNCELHUSA-N
DB01604,33817-20-8,Pivampicillin,approved,"['15793098', '20398122']","['J01CA02', 'J01CR50']",,8372,PA164776912,,2218,ZINC000034967244,CHEMBL3182343,,,8255,33478,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C,"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1",ZEMIJUDPLILVNQ-ZXFNITATSA-N
DB01605,32886-97-8,Pivmecillinam,approved,"['14527775', '3547627', '214285']","['J01CA08', 'J01CR50']",D02889,627,PA164750167,,2219,,CHEMBL1616433,,,51210,115163,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1,"InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17-/m1/s1",NPGNOVNWUSPMDP-HLLBOEOZSA-N
DB01606,89786-04-9,Tazobactam,approved,"['10526867', '22282479', '8937930', '24352909', '14757767', '9066111', '17547502', '1656853', '24492369', '29691340']",J01CG02,D00660,37617,PA164764504,,2572,ZINC000003787060,CHEMBL404,50053173,YTR-830H,9421,123630,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O,"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1",LPQZKKCYTLCDGQ-WEDXCCLWSA-N
DB01607,34787-01-4,Ticarcillin,"['vet_approved', 'approved', 'investigational']",,"['J01CA13', 'J01CR50']",,10591,PA451684,,2656,ZINC000003831540,CHEMBL1449,50103522,TICAR,9587,36921,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)C1=CSC=C1)C(O)=O,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1",OHKOGUYZJXTSFX-KZFFXBSXSA-N
DB01608,2622-26-6,Periciazine,"['approved', 'investigational']",,N05AC01,D01485,8766,PA164781043,,2107,ZINC000000538159,CHEMBL251940,50346422,PERICIAZINE,31981,4747,OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1,"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2",LUALIOATIOESLM-UHFFFAOYSA-N
DB01609,201530-41-8,Deferasirox,"['approved', 'investigational']",,V03AC03,D03669,614373,PA164760843,,3128,ZINC000001481815,CHEMBL550348,50088376,ICL670,49005,214348,OC(=O)C1=CC=C(C=C1)N1N=C(N=C1C1=CC=CC=C1O)C1=CC=CC=C1O,"InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)",BOFQWVMAQOTZIW-UHFFFAOYSA-N
DB01610,175865-60-8,Valganciclovir,"['approved', 'investigational']",15290873,J05AB14,D02495,275891,PA10227,,,,CHEMBL1201314,,VALCYTE,63635,135413535,CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O,"InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1",WPVFJKSGQUFQAP-GKAPJAKFSA-N
DB01611,118-42-3,Hydroxychloroquine,approved,"['1474861', '32205204', '16115318', '32356252', '8803904', '29883308', '32171740', '8278823', '19188392', '29438998', '32020029']",P01BA02,D08050,5521,PA164777036,,1395,,CHEMBL1535,50467780,QUENSYL,5801,3652,CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1,"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)",XXSMGPRMXLTPCZ-UHFFFAOYSA-N
DB01612,8017-89-8,Amyl Nitrite,approved,,V03AB22,D00517,742,PA164750570,,,ZINC000020230701,CHEMBL3188202,,,55344,10026,CCCCCON=O,"InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3",CSDTZUBPSYWZDX-UHFFFAOYSA-N
DB01613,7297-25-8,Erythrityl tetranitrate,"['experimental', 'approved', 'investigational']",,"['C01DA63', 'C01DA13']",,4040,PA164746528,,1047,ZINC000018178475,CHEMBL2107583,,,60072,5284553,[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O,"InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+",SNFOERUNNSHUGP-ZXZARUISSA-N
DB01614,61-00-7,Acepromazine,"['experimental', 'vet_approved']",,N05AA04,D07065,155,PA164783999,PMZ,73,ZINC000000057198,CHEMBL39560,50131719,ACEPROMAZINE MALEATE,44932,6077,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",NOSIYYJFMPDDSA-UHFFFAOYSA-N
DB01615,13461-01-3,Aceprometazine,experimental,,,,161203,PA164743727,,50,,CHEMBL2104054,,,53770,26035,CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C,"InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3",XLOQNFNTQIRSOX-UHFFFAOYSA-N
DB01616,150-59-4,Alverine,"['approved', 'investigational']","['17934514', '20003095', '19148544']","['A03AX08', 'A03AX58']",D07440,17627,PA164764505,,142,ZINC000001481966,CHEMBL253371,37636,ALVERINE,518413,3678,CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1,"InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3",ZPFXAOWNKLFJDN-UHFFFAOYSA-N
DB01618,7416-34-4,Molindone,approved,,N05AE02,D08226,7019,PA164746756,,1830,,CHEMBL460,50130290,MOLINDONE,6965,23897,CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2,"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3",KLPWJLBORRMFGK-UHFFFAOYSA-N
DB01619,82-88-2,Phenindamine,approved,,R06AX04,D08353,33283,PA164750491,,2129,,CHEMBL278398,50089147,,8065,11291,CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1,"InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3",ISFHAYSTHMVOJR-UHFFFAOYSA-N
DB01620,86-21-5,Pheniramine,approved,"['25948974', '30142724', '9795048', '4385103', '1065303', '3988394', '679637', '22918191']","['R06AB05', 'D04AA16']",,8132,PA164744506,,2132,,CHEMBL1193,50017656,DANERAL,91591,4761,CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3",IJHNSHDBIRRJRN-UHFFFAOYSA-N
DB01621,39860-99-6,Pipotiazine,"['approved', 'investigational']",6143579,N05AC04,D08385,8348,PA10158,,,ZINC000003813024,CHEMBL398880,81798,,,62867,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1,"InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3",JOMHSQGEWSNUKU-UHFFFAOYSA-N
DB01622,316-81-4,Thioproperazine,experimental,,N05AB08,D08585,10498,PA164754875,,2635,ZINC000022446685,CHEMBL609109,81793,,59120,9429,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,"InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3",VZYCZNZBPPHOFY-UHFFFAOYSA-N
DB01623,3313-26-6,Thiothixene,approved,,N05AF04,D00374,10510,PA451669,,2639,ZINC000030690433,CHEMBL1201,78576,CP-12252-1,9571,941651,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1,"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-",GFBKORZTTCHDGY-UWVJOHFNSA-N
DB01624,53772-83-1,Zuclopenthixol,"['approved', 'investigational']","['22513898', '22718540', '12957216', '15497819', '20175668', '23771405']",N05AF05,D03556,114176,PA452629,,2877,ZINC000000601293,CHEMBL53904,79209,CLOPIXOL,51364,5311507,OCCN1CCN(CC\C=C2\C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-",WFPIAZLQTJBIFN-DVZOWYKESA-N
DB01625,7492-32-2,Isopropamide,"['vet_approved', 'approved']",,"['A03AB09', 'A03CA01']",,89784,PA164781398,,1500,ZINC000001530668,CHEMBL1201232,82074,,6043,3775,CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C,"InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1",JTPUMZTWMWIVPA-UHFFFAOYSA-O
DB01626,555-57-7,Pargyline,approved,,"['C02LL01', 'C02KC01']",D08453,7930,PA450797,,2065,ZINC000053084618,CHEMBL673,50172756,,7930,4688,CN(CC#C)CC1=CC=CC=C1,"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3",DPWPWRLQFGFJFI-UHFFFAOYSA-N
DB01627,154-21-2,Lincomycin,"['vet_approved', 'approved']","['23923646', '14762701', '28973455', '9507455', '7309904', '10896103', '27940264', '3950061', '16760473']",J01FF02,D00223,6398,PA164749212,3QB,1582,ZINC000003982483,CHEMBL1447,50335522,LINCOMYCIN HYDROCHLORIDE,6472,3000540,[H][C@]1(C[C@@H](CCC)CN1C)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1",OJMMVQQUTAEWLP-KIDUDLJLSA-N
DB01628,202409-33-4,Etoricoxib,"['approved', 'investigational']",,M01AH05,D03710,307296,PA164776853,5CH,1113,ZINC000000579472,CHEMBL416146,50072064,ETORICOXIB,6339,123619,CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3",MNJVRJDLRVPLFE-UHFFFAOYSA-N
DB01629,316-46-1,5-fluorouridine,experimental,"['21744792', '12039627']",,,,,5UD,,ZINC000001078624,CHEMBL54918,50132299,5-FLUOROURIDINE,40154,9427,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O,"InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1",FHIDNBAQOFJWCA-UAKXSSHOSA-N
DB01630,,SC-74020,experimental,,,,,,I52,,ZINC000053683177,CHEMBL1233506,50026872,,,5288596,CCCCCC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO,"InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1",YJNCFXPJICILOK-HHHXNRCGSA-N
DB01631,1731-84-6,Methyl nonanoate,experimental,,,,,,NON,,ZINC000002039285,CHEMBL1234788,,,44499,15606,CCCCCCCCC(=O)OC,"InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3",IJXHLVMUNBOGRR-UHFFFAOYSA-N
DB01632,13270-65-0,5-O-phosphono-alpha-D-ribofuranosyl diphosphate,"['experimental', 'approved', 'investigational']",,,,,,PRP,,ZINC000008215630,,,,17111,7339,O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1",PQGCEDQWHSBAJP-TXICZTDVSA-N
DB01633,,Deoxy-2-fluoro-beta-D-cellotrioside,"['experimental', 'investigational']",,,,,,,,ZINC000014880013,,,,,445968,[H][C@]1(F)[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O,"InChI=1S/C18H31FO15/c19-7-9(24)14(5(2-21)30-16(7)29)33-18-13(28)11(26)15(6(3-22)32-18)34-17-12(27)10(25)8(23)4(1-20)31-17/h4-18,20-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1",BZNXZJAUEMJQJB-QSCMNUSVSA-N
DB01634,,2-Oxy-4-Hydroxy-5-(2-Hydrazinopyridine)Phenylalanine,experimental,,,,,,PAQ,,ZINC000006080317,,,,,17754117,[H][C@](N)(C[C@]1([H])C=C(NNC2=CC=CC=N2)C(O)=CC1=O)C(O)=O,"InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1",AZUQIXJQZOMXAS-BDAKNGLRSA-N
DB01635,,"2,2-Dimethylthiazolidine-4-Carboxylic Acid;(Dmt)Thiazolidine",experimental,,,,,,2MT,,ZINC000000039541,CHEMBL1229967,,,39764,6920201,CC1(C)N[C@@H](CS1)C(O)=O,"InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1",OCQICQZUUHJWGZ-BYPYZUCNSA-N
DB01637,,"3,7,11,15-tetramethyl-hexadecan-1-ol","['experimental', 'investigational']",,,,,,ARC,,ZINC000005962605,,,,,444637,CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO,"InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3/t18-,19-,20-/m0/s1",AJAKLDUGVSKVDG-UFYCRDLUSA-N
DB01638,50-70-4,Sorbitol,approved,,"['B05CX02', 'V04CC01', 'A06AG07', 'A06AD18']",D00096,9945,PA451455,SOR,2462,ZINC000018279893,CHEMBL1682,,SORBITOL,17924,5780,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",FBPFZTCFMRRESA-JGWLITMVSA-N
DB01639,,N-Methyl-Pyridoxal-5'-Phosphate,experimental,,,,,,MPL,,ZINC000012500943,,,,,5168640,CC1=C(O)C(C=O)=C(COP(O)(O)=O)C=[N+]1C,"InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1",CBNMAKRKGWDQHB-UHFFFAOYSA-O
DB01640,,"6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one",experimental,,,,,,666,,ZINC000012500945,,15337,,,5287540,C[C@@H]1CC(=O)NN=C1C1=CC=C(NC2=C(CC3=CC(I)=CC=C3)C(=O)CCC2)C=C1,"InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1",QNURTFDBHAQRSI-OAHLLOKOSA-N
DB01641,,"{(4Z)-2-[(1R,2R)-1-Amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",experimental,,,,,,5ZA,,ZINC000058638561,,,,,,[H]N([H])C1=C2C(\C=C3/N=C(N(CC(O)=O)C3=O)[C@@]([H])(N([H])[H])[C@@]([H])(C)O)=CN([H])C2=CC=C1,"InChI=1S/C17H19N5O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-6,8,15,20,23H,7,18-19H2,1H3,(H,24,25)/b12-5-/t8-,15+/m1/s1",JUWJATLABHTRDF-JURWUIOISA-N
DB01642,709-50-2,methyl beta-D-glucopyranoside,experimental,14642847,,,,,MGL,,ZINC000004262103,CHEMBL132186,50454778,,320055,445238,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1",HOVAGTYPODGVJG-XUUWZHRGSA-N
DB01643,365-07-1,Thymidine monophosphate,experimental,,,,,,DT,,ZINC000001678872,CHEMBL394429,50332929,,17013,9700,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",GYOZYWVXFNDGLU-XLPZGREQSA-N
DB01644,,"3,6-dihydroxy-xanthene-9-propionic acid",experimental,,,,,,HXP,,ZINC000031977026,,,,,449159,OC(=O)CCC1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2,"InChI=1S/C16H14O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,11,17-18H,5-6H2,(H,19,20)",PFQGLFBMMPZYEU-UHFFFAOYSA-N
DB01645,446-72-0,Genistein,investigational,"['18771609', '15772566']",,,25696,PA165109660,GEN,,ZINC000018825330,CHEMBL44,19459,GENISTEIN,28088,5280961,OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H",TZBJGXHYKVUXJN-UHFFFAOYSA-N
DB01646,65-82-7,N-Acetylmethionine,experimental,,,,1426463,,AME,,ZINC000001529501,,,,21557,448580,CSCC[C@H](NC(C)=O)C(O)=O,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1",XUYPXLNMDZIRQH-LURJTMIESA-N
DB01647,189940-24-7,Daxalipram,experimental,,,,,,5RM,,ZINC000003791675,CHEMBL603830,50308512,,,449190,CCCOC1=CC(=CC=C1OC)[C@]1(C)CNC(=O)O1,"InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1",PCCPERGCFKIYIS-AWEZNQCLSA-N
DB01648,,Methyl 4-thio-beta-D-glucopyranoside,experimental,,,,,,GTM,,ZINC000005888013,,,,,447600,CO[C@@H]1O[C@H](CO)[C@@H](S)[C@H](O)[C@H]1O,"InChI=1S/C7H14O5S/c1-11-7-5(10)4(9)6(13)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5-,6-,7-/m1/s1",PFROTWRHYMLGHR-NYMZXIIRSA-N
DB01649,,7-methyl-GpppA,experimental,,,,,,GTA,,ZINC000096006025,,,,157762,135415790,CN1C=[N+]([C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2,"InChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",QQOHNVHGNZYSBP-XPWFQUROSA-O
DB01650,614-60-8,trans-2-hydroxycinnamic acid,experimental,,,,,,2HC,,ZINC000000895911,CHEMBL52564,50146462,,18125,637540,OC(=O)\C=C\C1=CC=CC=C1O,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",PMOWTIHVNWZYFI-AATRIKPKSA-N
DB01651,,"Methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside",experimental,,,,,,CDG,,,,,,,445936,[H][C@@]12CO[C@](C)(O[C@]1([H])[C@H](O)[C@@H](O)[C@H](OC)O2)C(O)=O,"InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1",ZDZVLEQWFATHTF-IJWOWSJNSA-N
DB01652,27718-41-8,4-hydroxybenzoyl-CoA,experimental,,,,,,BCA,,ZINC000096006026,,,,15500,168718,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(O)C=C1,"InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1",LTVXPVBFJBTNIJ-TYHXJLICSA-N
DB01655,,L-gulonic acid 6-phosphate,experimental,,,,,,LG6,,ZINC000002047359,,,,43824,446821,O[C@@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,4-,5-/m0/s1",BIRSGZKFKXLSJQ-QTBDOELSSA-N
DB01656,162401-32-3,Roflumilast,approved,"['17704822', '21563134', '23280750', '17573446', '17726343', '17699872']",R03DX07,D05744,1091836,PA165948052,ROF,3531,ZINC000000592419,CHEMBL193240,14774,ARQ-151,47657,449193,FC(F)OC1=C(OCC2CC2)C=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl,"InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)",MNDBXUUTURYVHR-UHFFFAOYSA-N
DB01657,,"2-amino-3-[4-hydroxy-6-oxo-3-(2-phenyl-cyclopropylimino)-cyclohexa-1,4-dienyl]-propionic acid",experimental,,,,,,TYT,,,,,,,,NC(CC1C\C(=N/C2CC2C2=CC=CC=C2)C(O)=CC1=O)C(O)=O,"InChI=1S/C18H20N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,9,11-14,22H,6-8,19H2,(H,23,24)/b20-15+",QDTWKLJWNHRCPJ-HMMYKYKNSA-N
DB01658,,1'-Deazo-Thiamin Diphosphate,experimental,,,,,,N1T,,,,,,,5180212,CC1=C(CCO[P@](O)(=O)O[P@](O)([O-])=O)SC=[N+]1CC1=CC=C(C)N=C1N,"InChI=1S/C13H19N3O7P2S/c1-9-3-4-11(13(14)15-9)7-16-8-26-12(10(16)2)5-6-22-25(20,21)23-24(17,18)19/h3-4,8H,5-7H2,1-2H3,(H4-,14,15,17,18,19,20,21)",JHNXLHRDUXBCJW-UHFFFAOYSA-N
DB01659,,"3-(1,10-Phenanthrol-2-Yl)-L-Alanine",experimental,,,,,,PYA,,ZINC000006548293,,,,,17754134,N[C@@H](CC1=CC=C2C=CC3=C(N=CC=C3)C2=N1)C(O)=O,"InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1",LODBCIBKOKOGNL-LBPRGKRZSA-N
DB01661,,1-(5-phospho-D-ribosyl)-ATP,experimental,,,,,,PRT,,,,,,18263,16019963,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN(C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N,"InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14?,15-/m1/s1",RKNHJBVBFHDXGR-MRUDJCSFSA-N
DB01662,,Trans-O-Hydroxy-Alpha-Methyl Cinnamate,experimental,,,,,,OAC,,,,,,,17754112,[H][C@@](C)(CC1=CC=CC=C1O)C(O)=O,"InChI=1S/C10H12O3/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1",HGNFDPZASRDVLL-SSDOTTSWSA-N
DB01663,,"lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-C9-adamantane ruthenium (II)",experimental,,,,,,DRB,,,,,,,,CC1=CC2=C3C=C(CCCCCCCCC(=O)N[C@H]4[C@H]5C[C@@H]6C[C@@H](C[C@H]4C6)C5)C=CN3[Ru++]34(N5C=CC=CC5=C5C=CC=CN35)(N3C=CC=CC3=C3C=CC=CN43)N2C=C1,"InChI=1S/C30H41N3O.2C10H8N2.Ru/c1-21-10-12-31-27(14-21)28-20-22(11-13-32-28)8-6-4-2-3-5-7-9-29(34)33-30-25-16-23-15-24(18-25)19-26(30)17-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h10-14,20,23-26,30H,2-9,15-19H2,1H3,(H,33,34);2*1-8H;/q3*-2;+8/b28-27-;2*10-9-;/t23-,24+,25-,26+,30-;;;",IGSCYCAKHRXAKK-KBBCMHLPSA-N
DB01664,,(S)-DES-ME-AMPA,experimental,,,,,,SHI,,,,,,,447195,N[C@@H](CC1=CONC1=O)C(O)=O,"InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",ZKLGQYGPVBFAQQ-BYPYZUCNSA-N
DB01665,,2H-Benzimidazol-2-amine,experimental,,,,,,270,,ZINC000034919930,,,,,4469371,NC1N=C2C=CC=CC2=N1,"InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H,8H2",DERVZEOWPBCBHO-UHFFFAOYSA-N
DB01666,,D-Myo-Inositol-Hexasulphate,experimental,,,,,,IHS,,,CHEMBL3945401,50191320,,,,[H][C@]1(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@@]([H])(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@]1([H])OS(O)(=O)=O,"InChI=1S/C6H12O24S6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t1-,2-,3-,4+,5-,6-",NBTMNFYXJYCQHQ-GPIVLXJGSA-N
DB01667,134-58-7,8-azaguanine,experimental,22043012,,,,,AZG,,ZINC000096321491,CHEMBL374107,50465709,,63486,135403646,NC1=NC2=C(N=NN2)C(=O)N1,"InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)",LPXQRXLUHJKZIE-UHFFFAOYSA-N
DB01668,,Nanaomycin D,experimental,,,,,,NOM,,ZINC000004983927,,,,,6323454,[H][C@]12CC(=O)O[C@]1([H])C1=C(C(=O)C3=C(C=CC=C3O)C1=O)[C@]([H])(C)O2,"InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16-/m0/s1",XUWPJKDMEZSVTP-UOSCCXBLSA-N
DB01669,21411-53-0,Virginiamycin M1,experimental,,,,,,VIR,,,CHEMBL1236670,,MIKAMYCIN A,9997,5459319,CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)C2=COC(=N2)CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C,"InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1",DAIKHDNSXMZDCU-FQTGFAPKSA-N
DB01670,109-60-4,Propyl acetate,experimental,,,,1649519,,4PA,,ZINC000001697403,CHEMBL44857,,,40116,7997,CCCOC(C)=O,"InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",YKYONYBAUNKHLG-UHFFFAOYSA-N
DB01671,1126-48-3,p-Hydroxymercuribenzoic acid,experimental,,,,,,HGB,,,,50351172,,49644,129628189,O[Hg]C1=CC=C(C=C1)C(O)=O,"InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1",WMHRYLDWLOGHSG-UHFFFAOYSA-M
DB01672,303-38-8,"2,3-Dihydroxy-Benzoic Acid",experimental,,,,,,DBH,,ZINC000000388166,CHEMBL1432,92456,,18026,19,OC(=O)C1=CC=CC(O)=C1O,"InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)",GLDQAMYCGOIJDV-UHFFFAOYSA-N
DB01673,,Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine,experimental,,,,,,UMA,,ZINC000085545647,,,,84726,5496796,C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1NC(C)=O)C(O)=O,"InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1",NTMMCWJNQNKACG-KBKUWGQMSA-N
DB01674,,[2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid,experimental,,,,,,4F3,,ZINC000103526973,,,,,17753789,[H][C@@](C)(O)[C@]([H])(N)C1=NC(CC2=CNC3=CC=CC(F)=C23)=C(O)N1CC(O)=O,"InChI=1S/C17H19FN4O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-4,6,8,15,20,23,26H,5,7,19H2,1H3,(H,24,25)/t8-,15-/m0/s1",AYMRQIHECFEMIQ-AYVTZFPOSA-N
DB01675,6008-91-9,Methacrylyl-Coenzyme A,experimental,,,,,,2MC,,ZINC000008551568,,,,27754,165390,CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1",NPALUEYCDZWBOV-NDZSKPAWSA-N
DB01676,118-96-7,Trinitrotoluene,experimental,,,,,,TNL,,ZINC000014880028,CHEMBL1236345,,,46053,8376,CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3",SPSSULHKWOKEEL-UHFFFAOYSA-N
DB01677,110-17-8,Fumaric acid,investigational,,D05AX01,D02308,25389,,FUM,3229,ZINC000003860193,CHEMBL503160,26122,FUMARIC ACID,18012,444972,OC(=O)\C=C\C(O)=O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",VZCYOOQTPOCHFL-OWOJBTEDSA-N
DB01678,,RU84687,experimental,,,,,,687,,ZINC000003979519,CHEMBL78455,14691,,,5287544,CC(=O)N[C@@H](CC1=CC=C(OP(O)(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,"InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1",SAFPHFWYRLLBFO-NSOVKSMOSA-N
DB01679,,Propyl Trihydrogen Diphosphate,experimental,,,,,,P23,,,,,,,448670,CCCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6)",JCWMAIAFQQTSAX-UHFFFAOYSA-N
DB01681,517-60-2,Benzene Hexacarboxylic Acid,experimental,,,,,,BHC,,ZINC000003871689,CHEMBL1231329,,,41089,2334,OC(=O)C1=C(C(O)=O)C(C(O)=O)=C(C(O)=O)C(C(O)=O)=C1C(O)=O,"InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)",YDSWCNNOKPMOTP-UHFFFAOYSA-N
DB01682,,6'-Methyl-Thiamin Diphosphate,experimental,,,,,,M6T,,,,,,,4477692,CC1=C(CCO[P@](O)(=O)O[P@](O)([O-])=O)SC=[N+]1CC1=C(C)N=C(C)N=C1N,"InChI=1S/C13H20N4O7P2S/c1-8-11(13(14)16-10(3)15-8)6-17-7-27-12(9(17)2)4-5-23-26(21,22)24-25(18,19)20/h7H,4-6H2,1-3H3,(H4-,14,15,16,18,19,20,21,22)",XTYXJYCWAJSHCY-UHFFFAOYSA-N
DB01683,9076-44-2,Chymostatin,experimental,,,,,,,,,CHEMBL247767,87059,,,135659061,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C1CCNC(=N)N1)C(=O)N[C@@H](CC1=CC=CC=C1)C=O,"InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1",MRXDGVXSWIXTQL-HYHFHBMOSA-N
DB01684,,1-Hydroxy-1-Thio-Glycerol,experimental,,,,,,SGL,,,,,,,5289354,OC[C@@H](O)CSO,"InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1",DLQCXFUWHQZWJQ-GSVOUGTGSA-N
DB01685,577778-58-6,Topiroxostat,experimental,"['25501928', '24214189', '12421831', '24448692', '20952484', '16914512', '17761779', '15148401']",,,,,FYX,4888,ZINC000013536586,CHEMBL1078685,50311275,TOPIROXOSTAT,,5288320,N#CC1=NC=CC(=C1)C1=NNC(=N1)C1=CC=NC=C1,"InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)",UBVZQGOVTLIHLH-UHFFFAOYSA-N
DB01686,30315-93-6,"N,N-dimethylarginine",experimental,17937610,,,,,DA2,,ZINC000001529718,CHEMBL457530,92901,,17929,123831,N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1",YDGMGEXADBMOMJ-LURJTMIESA-N
DB01687,,beta-Mannobiose,experimental,,,,,,,,ZINC000013543975,,,,28085,448165,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1",GUBGYTABKSRVRQ-PZPXDAEZSA-N
DB01688,106-44-5,P-Cresol,experimental,,,,,,PCR,,ZINC000000897142,CHEMBL16645,50008543,,17847,2879,CC1=CC=C(O)C=C1,"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",IWDCLRJOBJJRNH-UHFFFAOYSA-N
DB01689,,Inhibitor Idd 384,experimental,,,,,,I84,,ZINC000002046816,CHEMBL240719,50222612,,,1944,CC1=CC=CC=C1CC(=O)NC1=CC(C)=C(C(C)=C1)S(=O)(=O)NCC(O)=O,"InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24)",CJKKMQCZOLCXAM-UHFFFAOYSA-N
DB01690,,Bis(Adenosine)-5'-Triphosphate,experimental,,,,,,BA3,,ZINC000008220358,CHEMBL407938,50184368,,27775,165381,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",QCICUPZZLIQAPA-XPWFQUROSA-N
DB01691,,Indole Naphthyridinone,experimental,,,,,,IDN,,ZINC000006815463,CHEMBL42208,8733,,,5288607,CN(CC1=CN(C)C2=CC=CC=C12)C(=O)\C=C\C1=CN=C2NC(=O)CCC2=C1,"InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+",VAZMNDXVXVUKFY-JXMROGBWSA-N
DB01692,6892-68-8,Dithioerythritol,experimental,,,,,,DTU,,ZINC000012341762,CHEMBL1232391,,,17456,439352,[H][C@](O)(CS)[C@]([H])(O)CS,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+",VHJLVAABSRFDPM-ZXZARUISSA-N
DB01694,147-71-7,D-tartaric acid,experimental,,,,1371315,,TAR,,ZINC000000895296,CHEMBL1200861,,TARTARIC ACID,15672,439655,O[C@@H]([C@H](O)C(O)=O)C(O)=O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1",FEWJPZIEWOKRBE-LWMBPPNESA-N
DB01695,146086-80-8,N-Hydroxy-4-phosphonobutanamide,experimental,,,,,,4PB,,,CHEMBL1161784,50379999,,,126892,ONC(=O)CCCP(O)(O)=O,"InChI=1S/C4H10NO5P/c6-4(5-7)2-1-3-11(8,9)10/h7H,1-3H2,(H,5,6)(H2,8,9,10)",AKXSFRVADDCWTF-UHFFFAOYSA-N
DB01697,,beta-cellotriose,experimental,,,,,,,,ZINC000008220386,,,,41753,440950,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1",FYGDTMLNYKFZSV-CSHPIKHBSA-N
DB01698,153-18-4,Rutin,"['experimental', 'approved', 'investigational']",,"['C05CA51', 'C05CA01']",,9500,PA451291,RUT,3535,ZINC000004096846,CHEMBL226335,,RUTIN,28527,5280805,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",IKGXIBQEEMLURG-NVPNHPEKSA-N
DB01699,,(4e)-4-Aminohex-4-Enoic Acid,experimental,,,,,,GEG,,ZINC000103542879,,,,,5288385,[H]\C(C)=C(/N)CCC(O)=O,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2H,3-4,7H2,1H3,(H,8,9)/b5-2+",KQFBUAIXCIGKAP-GORDUTHDSA-N
DB01700,3031-94-5,AICA ribonucleotide,"['experimental', 'investigational']",,,,,,AMZ,,ZINC000004096500,CHEMBL483849,22579,,18406,65110,NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1",NOTGFIUVDGNKRI-UUOKFMHZSA-N
DB01701,78-87-5,"1,2-Dichloro-Propane",experimental,,,,,,CP2,,ZINC000002041255,CHEMBL373466,,,142469,445768,C[C@@H](Cl)CCl,"InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m1/s1",KNKRKFALVUDBJE-GSVOUGTGSA-N
DB01702,102-32-9,"2-(3,4-Dihydroxyphenyl)Acetic Acid",experimental,,,,,,DHY,,ZINC000000388555,CHEMBL1284,52946,,41941,547,OC(=O)CC1=CC(O)=C(O)C=C1,"InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",CFFZDZCDUFSOFZ-UHFFFAOYSA-N
DB01703,,N-(2-ferrocenylethyl)maleimide,experimental,,,,,,FEM,,,,,,30735,,N1(C(=O)C=CC1=O)CCC12[Fe]3456789%10C%11C3C4C5C6%11.C7(C8C19)C2%10,"InChI=1S/C11H10NO2.C5H5.Fe/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9;1-2-4-5-3-1;/h1-6H,7-8H2;1-5H;",CMTBMSSPDNXOBC-UHFFFAOYSA-N
DB01704,614-86-8,"2,4-Dihydroxy-Trans Cinnamic Acid",experimental,,,,,,SN1,,ZINC000002043461,CHEMBL1235981,,,,446611,OC(=O)\C=C\C1=C(O)C=C(O)C=C1,"InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",HGEFWFBFQKWVMY-DUXPYHPUSA-N
DB01705,,Bis(5-Amidino-Benzimidazolyl)Methane,experimental,,,,,,BAB,,,,,,,6398417,NC(=[NH2+])C1=CC2=C(C=C1)N=C(CC1=NC3=C(N1)C=C(C=C3)C([NH3+])=[NH2+])N2,"InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+3",QZKOOEFIMWKZPK-UHFFFAOYSA-Q
DB01706,500797-85-3,2-Bromo-6-chloro-purine,experimental,,,,,,BCP,,,,,,,5287744,[H]N1C=NC2=C1C(Cl)=NC(Br)=N2,"InChI=1S/C5H2BrClN4/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H,8,9,10,11)",VLGHYTLGJNPTEN-UHFFFAOYSA-N
DB01707,,"L-Alfa-Lysophosphatidylcholine, Lauroyl",experimental,,,,,,LAP,,,,,,,3045269,CCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC[N+](C)(C)C,"InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1",BWKILASWCLJPBO-UHFFFAOYSA-O
DB01708,53-43-0,Prasterone,"['approved', 'nutraceutical', 'investigational']","['17917157', '12543259', '10613429', '19773400', '14609305', '16880459', '11006185', '17054283', '2946952', '12428233', '17943841', '15261843', '21649617', '9933021', '12970301']","['A14AA07', 'G03EA03', 'G03XX01']",D08409,3143,PA451993,AND,795,ZINC000003807917,CHEMBL90593,50223368,VAGINORM,28689,5881,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1",FMGSKLZLMKYGDP-USOAJAOKSA-N
DB01709,,2-phospho-D-glyceric acid,experimental,,,,,,2PG,,ZINC000003869232,,,,17835,439278,OC[C@@H](OP(O)(O)=O)C(O)=O,"InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",GXIURPTVHJPJLF-UWTATZPHSA-N
DB01710,,Porphyrin Fe(III),experimental,,,,,,POR,,,,,,,,[Fe+5].[H]C1=C([H])/C2=C([H])/C3=N/C(/C([H])=C3[H])=C([H])\C3=C([H])C([H])=C([N-]3)/C([H])=C3\N=C(C([H])=C3[H])\C(\[H])=C\1/[N-]\2,"InChI=1S/C20H12N4.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12H;/q-2;+5/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;",ORDDZWUXFDJWPR-QDJBTJTOSA-N
DB01711,440-60-8,"2,3,4,5,6-Pentafluorobenzyl Alcohol",experimental,,,,,,PFB,,ZINC000001627118,,,,44903,9923,OCC1=C(F)C(F)=C(F)C(F)=C1F,"InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2",PGJYYCIOYBZTPU-UHFFFAOYSA-N
DB01712,,"(3R)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylicacid-L-phenylalanine ethyl ester",experimental,,,,,,SUB,,ZINC000012501024,,,,,46936196,CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CSCCN1S(=O)(=O)C1=CC=C(C)C=C1,"InChI=1S/C23H28N2O5S2/c1-3-30-23(27)20(15-18-7-5-4-6-8-18)24-22(26)21-16-31-14-13-25(21)32(28,29)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)/t20-,21-/m0/s1",NDDSSAGSYFVBTG-SFTDATJTSA-N
DB01713,3616-06-6,UDP-alpha-D-xylose,experimental,,,,,,UDX,,ZINC000008551129,,,,16082,19235,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1",DQQDLYVHOTZLOR-OCIMBMBZSA-N
DB01714,1188-07-4,Epsilon-N-methyllysine,experimental,,,,,,MLZ,,ZINC000001529511,,,,17604,164795,CNCCCC[C@H](N)C(O)=O,"InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1",PQNASZJZHFPQLE-LURJTMIESA-N
DB01715,,"7,8-Diamino-Nonanoic Acid",experimental,,,,,,DNN,,ZINC000019364244,,,,42085,445025,C[C@H](N)[C@H](N)CCCCCC(O)=O,"InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)/t7-,8+/m0/s1",KCEGBPIYGIWCDH-JGVFFNPUSA-N
DB01716,,2-propenyl-N-acetyl-neuramic acid,experimental,,,,,,CNP,,ZINC000005884139,,,,,449535,[H]N([C@@H]1[C@@H](O)C[C@@](CC=C)(O[C@@]1([H])[C@H](O)[C@H](O)CO)C(O)=O)C(C)=O,"InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1",IUGVDRFIVSPVGO-KXEMTNKZSA-N
DB01717,,Bis(Adenosine)-5'-Pentaphosphate,experimental,,,,,,AP5,,ZINC000096085195,CHEMBL437508,50435017,,28898,440210,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",OIMACDRJUANHTJ-XPWFQUROSA-N
DB01718,6899-10-1,Cetrimonium,approved,,"['D08AJ04', 'D11AC01', 'D08AJ02', 'R02AA17']",D03454,20614,,16A,,ZINC000006846023,CHEMBL1183605,58941,CETRIMONIUM,39561,2681,CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1",RLGQACBPNDBWTB-UHFFFAOYSA-N
DB01719,,Thio-Maltopentaose,experimental,,,,,,,,ZINC000263620523,,,,,449625,[H][C@]1(S)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m1/s1",HQMKYAZGNUQLJB-DCFYERRSSA-N
DB01720,639517-90-1,(2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]acrylic acid,experimental,,,,,,PH7,,,CHEMBL188442,50166405,,,657131,[H]N(\C(=C/C1=CC=C(OC2=CC=CC=C2Br)C=C1)C(O)=O)C(=O)C1=CC=CC=C1,"InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-",WLPJLQNKCJWAFL-RGEXLXHISA-N
DB01721,,"N-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phenylethyl)-pentanamide",experimental,,,,,,XN2,,,,,,,446636,[H]N([C@@H]1[C@H](O)CC2=CC=CC=C12)C(=O)[C@H](C[C@H](O)CN1CCN(CC2=CC3=C(OCO3)C=C2)C[C@H]1C(=O)N([H])C(C)(C)C)[C@H](C)C1=CC=CC=C1,"InChI=1S/C39H50N4O6/c1-25(27-10-6-5-7-11-27)31(37(46)40-36-30-13-9-8-12-28(30)19-33(36)45)20-29(44)22-43-17-16-42(23-32(43)38(47)41-39(2,3)4)21-26-14-15-34-35(18-26)49-24-48-34/h5-15,18,25,29,31-33,36,44-45H,16-17,19-24H2,1-4H3,(H,40,46)(H,41,47)/t25-,29+,31-,32+,33-,36+/m1/s1",MJIRDPUZGGHJMX-XPYHLXFLSA-N
DB01723,,"{3-[3-(3,4-Dimethoxy-Phenyl)-1-(1-{1-[2-(3,4,5-Trimethoxy-Phenyl)-Butyryl]-Piperidin-2yl}-Vinyloxy)-Propyl]-Phenoxy}-Acetic Acid",experimental,,,,,,AP1,,ZINC000024433235,CHEMBL110674,50132541,,,444590,[H][C@](CCC1=CC(OC)=C(OC)C=C1)(OC(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(CC)C1=CC(OC)=C(OC)C(OC)=C1)C1=CC(OCC(O)=O)=CC=C1,"InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30+/m0/s1",XCCRAOPQCACRFC-OIFRRMEBSA-N
DB01724,3228-51-1,L-Threoninol,experimental,,,,,,THO,,ZINC000002436826,,,,,2033049,C[C@@H](O)[C@H](N)CO,"InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1",MUVQIIBPDFTEKM-QWWZWVQMSA-N
DB01725,,"2-{2-hydroxy-[1,1'-biphenyl]-3-yl}-1H-1,3-benzodiazole-5-carboximidamide",experimental,,,,,,130,,ZINC000002047577,CHEMBL327715,14325,,,1504,NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1,"InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24)",LMGQGPVCSYOMNS-UHFFFAOYSA-N
DB01726,95-55-6,2-Aminophenol,experimental,,,,1740241,,2AF,,ZINC000000157526,CHEMBL28319,,,18112,5801,NC1=CC=CC=C1O,"InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2",CDAWCLOXVUBKRW-UHFFFAOYSA-N
DB01727,320-77-4,Isocitric Acid,experimental,,,,,,N81,,ZINC000000895175,,,,160,447805,O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m0/s1",ODBLHEXUDAPZAU-OKKQSCSOSA-N
DB01728,923-61-5,"1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine",experimental,,,,,,PEF,,ZINC000032793824,,,,73127,11802774,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1",SLKDGVPOSSLUAI-PGUFJCEWSA-N
DB01729,,"1D-myo-inositol 1,3,4-trisphosphate",experimental,,,,,,I3S,,ZINC000004095596,CHEMBL329137,,,18228,439455,O[C@@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1",MMWCIQZXVOZEGG-MLQGYMEPSA-N
DB01731,,(S)-wiskostatin,experimental,,,,,,WSK,,ZINC000000626528,CHEMBL411084,50154292,,78011,448668,CN(C)C[C@H](O)CN1C2=CC=C(Br)C=C2C2=C1C=CC(Br)=C2,"InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1",XUBJEDZHBUPBKL-ZDUSSCGKSA-N
DB01732,,"(4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3 diazepan-2-one",experimental,,,,,,AH1,,ZINC000003833861,CHEMBL171148,1157,,,444290,O[C@@H]1[C@@H](O)[C@@H](COC2=CC=CC=C2)N(CC2=CC=CC=C2)C(=O)N(CC2=CC=CC=C2)[C@@H]1COC1=CC=CC=C1,"InChI=1S/C33H34N2O5/c36-31-29(23-39-27-17-9-3-10-18-27)34(21-25-13-5-1-6-14-25)33(38)35(22-26-15-7-2-8-16-26)30(32(31)37)24-40-28-19-11-4-12-20-28/h1-20,29-32,36-37H,21-24H2/t29-,30-,31+,32+/m1/s1",SQBOSZXDOHQFAA-ZRTHHSRSSA-N
DB01733,,L-Phospholactate,experimental,,,,,,0V5,,ZINC000006491507,CHEMBL1941138,50362544,,,444348,C[C@@H](OP(O)(O)=O)C(O)=O,"InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1",CSZRNWHGZPKNKY-UWTATZPHSA-N
DB01734,,3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid,experimental,,,,,,761,,ZINC000002007904,CHEMBL383570,50416040,,,1628,OC(=O)C(=O)NC1=CC2=C(C=CC=C2)C=C1C(O)=O,"InChI=1S/C13H9NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H,18,19)",DQBLKSRRWDWNKQ-UHFFFAOYSA-N
DB01735,,3-Chloroalaninate,experimental,,,,,,C2N,,ZINC000001529479,CHEMBL295666,,,47291,5287866,[NH3+][C@H](CCl)C([O-])=O,"InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1",ASBJGPTTYPEMLP-UWTATZPHSA-N
DB01736,,[3-(Dodecanoylamino)Propyl](Hydroxy)Dimethylammonium,experimental,,,,,,LDM,,ZINC000053683257,,,,,94599,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-],"InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)",JNGWKQJZIUZUPR-UHFFFAOYSA-N
DB01737,133397-81-6,"Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester",experimental,,,,,,ANH,,,,,,,131624,[H][C@@](CC1=CC=CC(=C1)C(N)=N)(NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC,"InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1",YAEIKQDHLCFGAA-KRWDZBQOSA-N
DB01738,1071-23-4,Phosphorylcolamine,experimental,,,,,,OPE,,ZINC000003870166,CHEMBL146972,50281572,PHOSPHORYLCOLAMINE,17553,1015,NCCOP(O)(O)=O,"InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)",SUHOOTKUPISOBE-UHFFFAOYSA-N
DB01739,1509-34-8,L-alloisoleucine,experimental,,,,,,IIL,,ZINC000000388312,CHEMBL56053,,,85338,6950182,CC[C@@H](C)[C@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1",AGPKZVBTJJNPAG-UHNVWZDZSA-N
DB01740,,"4-butyl-5-propyl-1,3-selenazol-2-amine",experimental,,,,,,SES,,,CHEMBL1235902,,,,445180,[H]N([H])C1=NC(CCCC)=C(CCC)[Se]1,"InChI=1S/C10H18N2Se/c1-3-5-7-8-9(6-4-2)13-10(11)12-8/h3-7H2,1-2H3,(H2,11,12)",DOUUMUUUWUAPPC-UHFFFAOYSA-N
DB01741,,CRA_17693,experimental,,,,,,693,,,,14342,,,135559087,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(=CC(=C1[O-])C1=C(F)C=CC=C1)[C@@H](CC([O-])=O)C([O-])=O,"InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1",XCOFROALSAFROV-CQSZACIVSA-L
DB01742,,(3r)-1-Acetyl-3-Methylpiperidine,experimental,,,,,,1P3,,ZINC000000389643,,,,,449120,C[C@@H]1CCCN(C1)C(C)=O,"InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3/t7-/m1/s1",XKFPNHDGLSYZRC-SSDOTTSWSA-N
DB01744,464-49-3,Camphor,approved,,C01EB02,D06392,1298738,PA448759,CAM,,ZINC000000967520,CHEMBL504760,36263,CAMPHOR D-FORM,15396,159055,[H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",DSSYKIVIOFKYAU-XCBNKYQSSA-N
DB01745,,N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester,experimental,,,,,,FD2,,ZINC000012501050,CHEMBL343892,50472452,,,446605,COC(=O)C1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1,"InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)/t24-/m0/s1",JJLGQWCKMHPBEB-DEOSSOPVSA-N
DB01746,328-38-1,D-Leucine,experimental,11557028,,,,,DLE,,ZINC000000388396,CHEMBL1232258,50463213,,28225,439524,CC(C)C[C@@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1",ROHFNLRQFUQHCH-RXMQYKEDSA-N
DB01747,31418-71-0,Coprogen,experimental,,,,,,HWS,,,,,,83101,76957149,[Fe+3].[H][C@@]1(CCCN([O-])C(=O)\C=C(/C)CCO)NC(=O)[C@]([H])(CCCN([O-])C(=O)\C=C(/C)CCOC(=O)[C@H](CCCN([O-])C(=O)\C=C(/C)CCO)NC(C)=O)NC1=O,"InChI=1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43;/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48);/q-3;+3/b23-20+,24-21+,25-22+;/t27-,28-,29-;/m0./s1",FQIVLXIUJLOKPL-DWZMLRRXSA-N
DB01748,,N-Benzyl-4-Sulfamoyl-Benzamide,experimental,,,,,,BSB,,ZINC000000403946,CHEMBL302715,12013,,41231,4347,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1,"InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)",CZKNSZUJCJHTTM-UHFFFAOYSA-N
DB01749,110-71-4,"1,2-Dimethoxyethane",experimental,,,,,,DXE,,ZINC000001690289,CHEMBL1232411,,,42263,8071,COCCOC,"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3",XTHFKEDIFFGKHM-UHFFFAOYSA-N
DB01750,86-87-3,1-naphthaleneacetic acid,experimental,,,D01558,,,NLA,,ZINC000000391809,CHEMBL428495,50022186,,32918,6862,OC(=O)CC1=C2C=CC=CC2=CC=C1,"InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)",PRPINYUDVPFIRX-UHFFFAOYSA-N
DB01751,67-30-1,Tetraiodothyroacetic acid,experimental,,,,,,T4A,,ZINC000008681598,CHEMBL549748,398043,,131194,65552,OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1,"InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)",PPJYSSNKSXAVDB-UHFFFAOYSA-N
DB01752,979-92-0,S-adenosyl-L-homocysteine,experimental,,,,,,SAH,,ZINC000004228232,CHEMBL418052,50009672,,16680,25246222,N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O,"InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",ZJUKTBDSGOFHSH-WFMPWKQPSA-N
DB01753,,4-oxo-nicotinamide-adenine dinucleotide phosphate,experimental,,,,,,ODP,,ZINC000263620886,,,,,49867432,NC(=O)[C@H]1C=[N+](C=CC1=O)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,"InChI=1S/C21H28N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)11(44-21)5-42-49(39,40)46-48(37,38)41-4-10-13(30)15(32)20(43-10)27-2-1-9(29)8(3-27)18(23)33/h1-3,6-8,10-11,13-16,20-21,30-32H,4-5H2,(H7-,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t8-,10+,11+,13+,14+,15+,16+,20+,21+/m0/s1",PIXSDSMVQQICPA-BYJCYCELSA-O
DB01754,,"3,4-Dihydroxy-1-Methylquinolin-2(1h)-One",experimental,,,,,,LI6,,ZINC000100031141,,,,,54695768,CN1C(=O)C(O)=C(O)C2=CC=CC=C12,"InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3",BDLJEQMXDNMETQ-UHFFFAOYSA-N
DB01755,,N-[Isoleucinyl]-N'-[adenosyl]-diaminosufone,experimental,,,,,,ILA,,ZINC000031976783,,,,,446595,[H]N([H])[C@@H]([C@@H](C)CC)C(=O)N([H])S(=O)(=O)N([H])C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],"InChI=1S/C16H26N8O6S/c1-3-7(2)9(17)15(27)23-31(28,29)22-4-8-11(25)12(26)16(30-8)24-6-21-10-13(18)19-5-20-14(10)24/h5-9,11-12,16,22,25-26H,3-4,17H2,1-2H3,(H,23,27)(H2,18,19,20)/t7-,8+,9-,11+,12+,16+/m0/s1",XVTRBLLRODNOJV-VBJYJYTRSA-N
DB01756,,4-phospho-L-threonic acid,experimental,,,,,,DER,,,,,,41917,446947,O[C@@H](COP(O)(O)=O)[C@@H](O)C(O)=O,"InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3+/m0/s1",ZCZXOHUILRHRQJ-STHAYSLISA-N
DB01758,70-78-0,3-Iodo-Tyrosine,experimental,,,,,,IYR,,ZINC000000001575,CHEMBL479789,37633,,59898,439744,N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O,"InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",UQTZMGFTRHFAAM-ZETCQYMHSA-N
DB01759,501-30-4,Kojic acid,experimental,,,,1426451,,KOJ,3977,ZINC000013831818,CHEMBL287556,50031467,,43572,3840,OCC1=CC(=O)C(O)=CO1,"InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2",BEJNERDRQOWKJM-UHFFFAOYSA-N
DB01760,25773-40-4,2-Methoxy-3-Isopropylpyrazine,experimental,,,,,,IPZ,,ZINC000000156526,CHEMBL96852,,,,33166,COC1=NC=CN=C1C(C)C,"InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3",NTOPKICPEQUPPH-UHFFFAOYSA-N
DB01761,,4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine,experimental,,,,,,084,,ZINC000021289776,CHEMBL305178,15240,,,447721,C[C@H](NC1=NC(=CC=N1)C1=C(N=C(C2CCNCC2)N1C)C1=CC=CC(=C1)C(F)(F)F)C1=CC=CC=C1,"InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1",QICPQLFMWYQJGX-SFHVURJKSA-N
DB01762,541-50-4,Acetoacetic acid,experimental,16805814,,,,,AAE,,ZINC000000895089,CHEMBL1230762,,ACETOACETIC ACID,15344,96,CC(=O)CC(O)=O,"InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)",WDJHALXBUFZDSR-UHFFFAOYSA-N
DB01763,,7-thionicotinamide-adenine-dinucleotide phosphate,experimental,,,,,,TAP,,,CHEMBL1236188,,,,131704180,[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,"InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",OJNFDOAQUXJWED-NNYOXOHSSA-N
DB01764,112362-50-2,Dalfopristin,approved,"['11764864', '11190346', '10651391', '11219478']",,D00853,229369,PA164746234,DOL,778,ZINC000003917540,CHEMBL1200937,,RP 54476,4309,6323289,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@H](C(C)C)[C@H](C)\C=C\C(=O)NC\C=C\C(\C)=C\[C@@H](O)CC(=O)CC1=NC(=CO1)C2=O,"InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1",SUYRLXYYZQTJHF-VMBLUXKRSA-N
DB01765,391670-48-7,"(5-hydroxyindolo[1,2-a]quinazolin-7-yl)acetic acid",experimental,,,,,,IQA,,ZINC000002047511,CHEMBL92361,11319,,,447682,OC(=O)CC1=C2NC(=O)C3=CC=CC=C3N2C2=C1C=CC=C2,"InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)",INSBKYCYLCEBOD-UHFFFAOYSA-N
DB01766,,Beta-(2-Naphthyl)-Alanine,experimental,,,,,,NAL,,ZINC000000128256,CHEMBL1234619,,,,6927613,[H][C@](N)(CC1=CC=C2C=CC=CC2=C1)C(O)=O,"InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1",JPZXHKDZASGCLU-LBPRGKRZSA-N
DB01767,,Hemi-Babim,experimental,,,,,,BAI,,ZINC000002047318,CHEMBL46148,16303,,,1282,NC(=N)C1=CC2=C(NC(CC3=NC4=C(N3)C=CC=C4)=N2)C=C1,"InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)",KKJYVDXDZURHMA-UHFFFAOYSA-N
DB01768,59322-44-0,Methylumbelliferyl sialic acid,experimental,,,,,,MUS,,ZINC000013526502,CHEMBL1234524,,,,448470,[H]N([C@@H]1[C@@H](O)C[C@@](OC2=CC3=C(C=C2)C(C)=CC(=O)O3)(O[C@@]1([H])[C@H](O)[C@H](O)CO)C(O)=O)C(C)=O,"InChI=1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/t13-,14+,17+,18+,19+,21+/m0/s1",KKDWIUJBUSOPGC-GKHMPSLRSA-N
DB01771,,CRA_10991,experimental,,,,,,991,,ZINC000038377599,,14334,,,447488,NC(=[NH2+])C1=C(Cl)C=C2NC(=CC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],"InChI=1S/C20H20ClN3O2/c21-15-10-16-11(8-14(15)20(22)23)9-17(24-16)13-6-3-7-18(19(13)25)26-12-4-1-2-5-12/h3,6-10,12,24-25H,1-2,4-5H2,(H3,22,23)",QXAURVOBXQBPAP-UHFFFAOYSA-N
DB01772,,"3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione",experimental,,,,,,DFN,,ZINC000005932684,,,,,448238,[H][C@@](O)(CO)CNC1=CC=CC(=C1)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC=C(F)C=C12,"InChI=1S/C22H20FN3O4/c1-26-10-17(16-8-13(23)5-6-18(16)26)20-19(21(29)25-22(20)30)12-3-2-4-14(7-12)24-9-15(28)11-27/h2-8,10,15,24,27-28H,9,11H2,1H3,(H,25,29,30)/t15-/m0/s1",RPGZQOOZHIEPJW-HNNXBMFYSA-N
DB01773,,4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid,experimental,,,,,,UR2,,ZINC000014880066,CHEMBL420910,50060737,,,448585,CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)N(CC(O)=O)CC1=CC=C(OP(O)(O)=O)C=C1,"InChI=1S/C25H38N3O10P/c1-27(15-5-8-18-6-3-2-4-7-18)24(33)21(13-14-22(29)30)26-25(34)28(17-23(31)32)16-19-9-11-20(12-10-19)38-39(35,36)37/h9-12,18,21H,2-8,13-17H2,1H3,(H,26,34)(H,29,30)(H,31,32)(H2,35,36,37)/t21-/m0/s1",JSBQUMXQEBZYPW-NRFANRHFSA-N
DB01774,,Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester,experimental,,,,,,ADQ,,ZINC000008216005,CHEMBL227552,,,15751,16500,NC1=C2N=CN([C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1",WFPZSXYXPSUOPY-ROYWQJLOSA-N
DB01775,96-26-4,Dihydroxyacetone,experimental,"['14007781', '13845496', '13706567']",,,3430,,2HA,,ZINC000084397769,CHEMBL1229937,,DIHYDROXYACETONE,16016,670,OCC(=O)CO,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",RXKJFZQQPQGTFL-UHFFFAOYSA-N
DB01776,108-39-4,M-Cresol,experimental,,,D04951,1367170,,CRS,,ZINC000000897141,CHEMBL298312,50008548,METACRESOL,17231,342,CC1=CC=CC(O)=C1,"InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",RLSSMJSEOOYNOY-UHFFFAOYSA-N
DB01777,,CoA-S-trimethylene-acetyl-tryptamine,experimental,,,,,,CA3,,,,,,,446814,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCCCCC(=O)N([H])CCC4=CN([H])C5=CC=CC=C45)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C36H54N9O17P3S/c1-36(2,31(49)34(50)40-13-11-27(47)39-14-16-66-15-6-5-9-26(46)38-12-10-22-17-41-24-8-4-3-7-23(22)24)19-59-65(56,57)62-64(54,55)58-18-25-30(61-63(51,52)53)29(48)35(60-25)45-21-44-28-32(37)42-20-43-33(28)45/h3-4,7-8,17,20-21,25,29-31,35,41,48-49H,5-6,9-16,18-19H2,1-2H3,(H,38,46)(H,39,47)(H,40,50)(H,54,55)(H,56,57)(H2,37,42,43)(H2,51,52,53)/t25-,29-,30-,31+,35-/m1/s1",RFOXOYXMKJPZDH-VTINEICCSA-N
DB01778,19410-53-8,8-Aminotheophylline,experimental,,,,,,209,,ZINC000018250788,CHEMBL298737,50143044,,,95034,CN1C2=C(NC(=N)N2)C(=O)N(C)C1=O,"InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)",ZZESAIGPDOBLKZ-UHFFFAOYSA-N
DB01779,17181-54-3,Glycerol 2-phosphate,experimental,,,,,,G2H,,ZINC000003830897,CHEMBL1232903,,PRELIEF,17270,2526,OCC(CO)OP(O)(O)=O,"InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)",DHCLVCXQIBBOPH-UHFFFAOYSA-N
DB01780,20108-30-9,Fusicoccin,experimental,,,,,,FSC,,,CHEMBL4244843,50462845,,51015,447573,[H]\C1=C2/[C@@]([H])(COC)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(COC(C)(C)C=C)[C@@]([H])(O)[C@]([H])(OC(C)=O)[C@@]2([H])O)C2=C(C[C@]([H])(O)[C@]12C)[C@]([H])(C)COC(C)=O,"InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1",KXTYBXCEQOANSX-WYKQKOHHSA-N
DB01782,129-56-6,Pyrazolanthrone,experimental,,,,,,537,,ZINC000096298875,CHEMBL7064,16018,,90695,8515,O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2,"InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)",ACPOUJIDANTYHO-UHFFFAOYSA-N
DB01783,79-83-4,Pantothenic acid,"['vet_approved', 'approved', 'nutraceutical']",,"['D03AX04', 'A11HA31']",D07413,7891,,PAU,2055,ZINC000005356910,CHEMBL1594,50240040,PANTOTHENIC ACID CALCIUM SALT,46905,6613,CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",GHOKWGTUZJEAQD-ZETCQYMHSA-N
DB01784,,4-Flourobenzenesulfonamide,experimental,,,,,,FBS,,ZINC000002571408,CHEMBL1232673,84662,,,120231,NS(=O)(=O)C1=CC=C(F)C=C1,"InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",LFLSATHZMYYIAQ-UHFFFAOYSA-N
DB01785,358-72-5,Dimethylallyl Diphosphate,experimental,,,,,,DMA,,ZINC000008215740,CHEMBL343480,50516699,,16057,647,CC(C)=CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)",CBIDRCWHNCKSTO-UHFFFAOYSA-N
DB01786,338-69-2,D-Alanine,experimental,,,,,,DAL,,ZINC000004658556,CHEMBL66693,50000109,,57416,71080,C[C@@H](N)C(O)=O,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",QNAYBMKLOCPYGJ-UWTATZPHSA-N
DB01788,,4-Imino-5-Methidyl-2-Methylpyrimidine,experimental,,,,,,ICP,,,,,,,4635105,CC1=NC(=N)C(=C)C=N1,"InChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3",AXFPKNUSOMMYRV-UHFFFAOYSA-N
DB01789,,"1-Amino-2,3-Dihydroxy-5-Hydroxymethyl Cyclohex-5-Ene",experimental,,,,,,ADH,,ZINC000033821184,,,,,5287612,[H][C@]1(N)C=C(CO)C[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C7H13NO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1,5-7,9-11H,2-3,8H2/t5-,6-,7-/m0/s1",BMZJPVSGERKRHP-ACZMJKKPSA-N
DB01790,,(Rp)-cAMPS,experimental,,,,,,RP1,,ZINC000014806300,CHEMBL1235719,,,84622,,NC1=C2N=CN([C@@H]3O[C@@H]4CO[P@](S)(=O)O[C@H]4[C@H]3O)C2=NC=N1,"InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1",SMPNJFHAPJOHPP-PUHOFUEYSA-N
DB01791,144035-83-6,Piclamilast,experimental,,,D05474,,,PIL,,ZINC000000598965,CHEMBL42126,14775,,47619,154575,COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl,"InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)",RRRUXBQSQLKHEL-UHFFFAOYSA-N
DB01792,1985-21-3,Adenylyl-(3'-5')-uridine 3'-monophosphate,experimental,,,,,,APU,,ZINC000024469737,,,,,164908,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=CC(=O)NC2=O)[C@H]1O,"InChI=1S/C19H25N7O15P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-11(29)13(7(3-27)38-18)41-43(35,36)37-4-8-14(40-42(32,33)34)12(30)17(39-8)25-2-1-9(28)24-19(25)31/h1-2,5-8,11-14,17-18,27,29-30H,3-4H2,(H,35,36)(H2,20,21,22)(H,24,28,31)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1",FZCSEXOMUJFOHQ-KPKSGTNCSA-N
DB01793,,SB-409513,experimental,,,,,,679,,ZINC000002047365,CHEMBL156987,8269,,,448008,OC(=O)C1=CC(NC2=C(C(=O)NC2=O)C2=CC(Cl)=CC=C2)=CC=C1Cl,"InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)",ONVZFCHLOZUXRP-UHFFFAOYSA-N
DB01794,,bis(molybdopterin)tungsten cofactor,experimental,,,,,,PTT,,,,,,30402,,NC1=NC2=C(NC3C(N2)OC2COP([O-])(=O)O[Mg]OP([O-])(=O)OCC4OC5NC6=C(NC5C5=C4S[W]4(SC2=C3S4)S5)C(=O)NC(N)=N6)C(=O)N1,"InChI=1S/2C10H14N5O6PS2.Mg.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;/h2*2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;/q;;+2;+4/p-8",TXTOFHXWJBZWPO-UHFFFAOYSA-F
DB01795,98-80-6,Phenylboronic acid,experimental,,,,,,PBC,,ZINC000169743014,CHEMBL21485,26996,,44923,66827,OB(O)C1=CC=CC=C1,"InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H",HXITXNWTGFUOAU-UHFFFAOYSA-N
DB01796,89-00-9,Quinolinic Acid,experimental,,,,,,NTM,,ZINC000000331671,CHEMBL286204,26115,,16675,1066,OC(=O)C1=CC=CN=C1C(O)=O,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",GJAWHXHKYYXBSV-UHFFFAOYSA-N
DB01797,,"(2R)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1H-imidazol-3-ium",experimental,,,,,,CR5,,ZINC000012501100,,,,,49866822,NC[C@@]1(O)NC(=O)C(O)=[N+]1CC(O)=O,"InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m1/s1",IMYOMVNQPPPJHU-ZCFIWIBFSA-O
DB01798,,Ethyl Dihydrogen Diphosphate,experimental,,,,,,P22,,ZINC000012501104,,,,,448674,CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C2H8O7P2/c1-2-8-11(6,7)9-10(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)",OJDJHGIXNZPZFD-UHFFFAOYSA-N
DB01799,,4-Hydroxy-3-Methyl Butyl Diphosphate,experimental,,,,,,EIP,,ZINC000002047413,,,,,5288154,C[C@H](CO)CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H14O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h5-6H,2-4H2,1H3,(H,10,11)(H2,7,8,9)/t5-/m0/s1",URURINNTPGGDIV-YFKPBYRVSA-N
DB01800,10485-66-2,4-Nitrocatechol sulfate,experimental,,,,,,CSN,,ZINC000002046903,,,,41733,165879,OC1=CC=C(C=C1OS(O)(=O)=O)[N+]([O-])=O,"InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13)",XMCCOOONGGUOLA-UHFFFAOYSA-N
DB01802,,"(4R)-7-Aza-7,8-dihydrolimonene",experimental,,,,,,7A8,,ZINC000005964439,,,,,447259,CN(C)[C@@H]1CCC(C)=CC1,"InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1",LDFVYCXKPXXSNO-VIFPVBQESA-N
DB01803,,2-(Trimethylammonium)Ethyl Thiol,experimental,,,,,,ETM,,ZINC000005299036,CHEMBL136145,50055164,,,37851,C[N+](C)(C)CCS,"InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1",VFUGTBZQGUVGEX-UHFFFAOYSA-O
DB01804,,"2-Ammoniobut-3-Enoate, 2-Amino-3-Butenoate",experimental,,,,,,A3B,,ZINC000002516281,,,,,5287580,[NH3+][C@H](C=C)C([O-])=O,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1",RQVLGLPAZTUBKX-GSVOUGTGSA-N
DB01805,,Monoisopropylphosphorylserine,experimental,,,,,,MIS,,ZINC000006364759,,,,,17754078,[H][C@](N)(COP(O)(=O)OC(C)C)C(O)=O,"InChI=1S/C6H14NO6P/c1-4(2)13-14(10,11)12-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1",DALHHSOTZKMXMV-YFKPBYRVSA-N
DB01806,,10-decarboxymethylaclacinomycin A,experimental,,,,,,AKA,,ZINC000098208657,,,,,49866627,CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@@H]3C[C@H](O)[C@@H](O[C@H]4CCC(=O)[C@@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2C1)C(=O)C1=C(C(O)=CC=C1)C3=O,"InChI=1S/C40H51NO13/c1-7-40(48)16-21-13-23-34(37(47)33-22(35(23)45)9-8-10-26(33)43)36(46)32(21)28(17-40)52-30-14-24(41(5)6)38(19(3)50-30)54-31-15-27(44)39(20(4)51-31)53-29-12-11-25(42)18(2)49-29/h8-10,13,18-20,24,27-31,38-39,43-44,46,48H,7,11-12,14-17H2,1-6H3/t18-,19+,20+,24+,27+,28+,29+,30+,31-,38-,39+,40+/m1/s1",OXPCRXLITLBLEY-ZVNFQBCFSA-N
DB01807,,"N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-(4-chlorophenyl)urea",experimental,,,,,,L10,,ZINC000013474619,CHEMBL85860,13354,,,656949,CC(C)(C)C1=NN(C(NC(=O)NC2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1,"InChI=1S/C20H21ClN4O/c1-20(2,3)17-13-18(25(24-17)16-7-5-4-6-8-16)23-19(26)22-15-11-9-14(21)10-12-15/h4-13H,1-3H3,(H2,22,23,26)",XIWRCSVXKPGGAJ-UHFFFAOYSA-N
DB01808,,Thiarsahydroxy-Cysteine,experimental,,,,,,CZZ,,,,,,,,N[C@@H](CS[AsH]O)C(O)=O,"InChI=1S/C3H8AsNO3S/c5-2(3(6)7)1-9-4-8/h2,4,8H,1,5H2,(H,6,7)/t2-/m0/s1",SHJQITKLZDPXCU-REOHCLBHSA-N
DB01809,,"1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine",experimental,,,,,,PP1,,ZINC000002047275,CHEMBL306380,25116,,,1400,CC1=CC=C(C=C1)C1=NN(C2=C1C(N)=NC=N2)C(C)(C)C,"InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)",ZVPDNRVYHLRXLX-UHFFFAOYSA-N
DB01810,,"[1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester",experimental,,,,,,186,,ZINC000012501121,,,,,5287438,[H][C@@](C)(NC(=O)[C@@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)\C=C\C(=O)C=O,"InChI=1S/C23H24N2O5/c1-17(12-13-20(27)15-26)24-22(28)21(14-18-8-4-2-5-9-18)25-23(29)30-16-19-10-6-3-7-11-19/h2-13,15,17,21H,14,16H2,1H3,(H,24,28)(H,25,29)/b13-12+/t17-,21+/m0/s1",NOXVWFAAXREWMI-GURWAVDKSA-N
DB01811,3131-52-0,"3h-Indole-5,6-Diol",experimental,,,,,,3ID,,ZINC000000895800,CHEMBL92636,50028548,,27404,114683,OC1=C(O)C=C2C=CNC2=C1,"InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H",SGNZYJXNUURYCH-UHFFFAOYSA-N
DB01812,1053-73-2,"Adenosine 3',5'-diphosphate",experimental,,,,,,A3P,,ZINC000004228234,CHEMBL574817,,,17985,159296,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1",WHTCPDAXWFLDIH-KQYNXXCUSA-N
DB01813,,Pyridoxyl-Glutamic Acid-5'-Monophosphate,experimental,,,,,,PPE,,,,,,,5289193,[H][C@@](CCC(O)=O)(NCC1=C(COP(O)(O)=O)C=[NH+]C(C)=C1O)C(O)=O,"InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/p+1/t10-/m0/s1",JMRKOGDJNHPMHS-JTQLQIEISA-O
DB01814,,2-Tridecanoyloxy-Pentadecanoic Acid,experimental,,,,,,LIL,,ZINC000014880077,,,,,445571,[H][C@](CCCCCCCCCCCC)(CC(O)=O)OC(=O)CCCCCCCCCCCC,"InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27(29)30)32-28(31)24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m0/s1",WLKQLKMXKFGMQI-SANMLTNESA-N
DB01815,,Nz-(Dicarboxymethyl)Lysine,experimental,,,,,,LLY,,ZINC000006360448,,,,,17754065,N[C@@H](CCCCNC(C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C9H16N2O6/c10-5(7(12)13)3-1-2-4-11-6(8(14)15)9(16)17/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1",XINFXVVRMYBFMI-YFKPBYRVSA-N
DB01816,79831-76-8,Castanospermine,experimental,,,,,,CTS,,ZINC000003775177,CHEMBL311226,36388,,27860,54445,[H][C@]1(O)CCN2C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]12[H],"InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1",JDVVGAQPNNXQDW-TVNFTVLESA-N
DB01817,,Threonine-Aspartic Ester,experimental,,,,,,AEI,,ZINC000058632161,,,,,17753823,[H][C@](N)(C[C@]([H])(O)O[C@]([H])(C)[C@]([H])(N)C(O)=O)C(O)=O,"InChI=1S/C8H16N2O6/c1-3(6(10)8(14)15)16-5(11)2-4(9)7(12)13/h3-6,11H,2,9-10H2,1H3,(H,12,13)(H,14,15)/t3-,4+,5-,6+/m1/s1",VCAYFLVMRCFGDV-MOJAZDJTSA-N
DB01818,,O3-Sulfonylgalactose,experimental,,,,,,SGA,,ZINC000005829868,,,,65148,444635,[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(OS(O)(=O)=O)[C@@]1([H])O,"InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5+,6-/m1/s1",HHRMGTRTCHNCRO-FDROIEKHSA-N
DB01819,138-08-9,Phosphoenolpyruvate,experimental,,,,,,PEP,,ZINC000003870145,CHEMBL1235228,50366413,,44897,59658623,OC(=O)C(=C)OP(O)(O)=O,"InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)",DTBNBXWJWCWCIK-UHFFFAOYSA-N
DB01820,,2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid,experimental,,,,,,989,,ZINC000014880083,CHEMBL1230658,50486309,,,447392,[H]N(CCCCC)C(=O)[C@H](CC1=CC=C(N(C(=O)C(O)=O)C2=CC=CC=C2C(O)=O)C2=CC=CC=C12)N([H])C(C)=O,"InChI=1S/C29H31N3O7/c1-3-4-9-16-30-26(34)23(31-18(2)33)17-19-14-15-25(21-11-6-5-10-20(19)21)32(27(35)29(38)39)24-13-8-7-12-22(24)28(36)37/h5-8,10-15,23H,3-4,9,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,36,37)(H,38,39)/t23-/m0/s1",UESXELNYBIOROE-QHCPKHFHSA-N
DB01821,,"L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide",experimental,,,,,,DP1,,ZINC000012501145,CHEMBL44833,50072407,,,656910,NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O,"InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1",KUZKVXUOMSVPOA-BQBZGAKWSA-N
DB01822,16096-98-3,"(4R,5R)-1,2-dithiane-4,5-diol",experimental,,,,,,DTD,,ZINC000004095547,,,,42147,439407,O[C@H]1CSSC[C@@H]1O,"InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1",YPGMOWHXEQDBBV-IMJSIDKUSA-N
DB01823,,Beta-D-Glucopyranose Spirohydantoin,experimental,,,,,,GLS,,ZINC000013863725,CHEMBL595439,50363875,,,11776755,OC[C@H]1O[C@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8-/m1/s1",QRXBDPYWCAAAAI-UXDJRKLDSA-N
DB01824,,"(3S)-Tetrahydro-3-furanyl {(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate",experimental,,,,,,3NH,,,,,,,49866494,[H]N([H])[C@@]([H])(O)O[C@]1([H])CC2=CC=CC=C2[C@]1([H])[C@]1([H])CN([H])[C@@](CC2=CC=CC=C2)(CC([H])(O)C([H])(CC2=CC=CC=C2)N([H])C(=O)O[C@@]2([H])CCOC2)C1=O,"InChI=1S/C36H43N3O7/c37-34(42)46-31-18-25-13-7-8-14-27(25)32(31)28-21-38-36(33(28)41,19-24-11-5-2-6-12-24)20-30(40)29(17-23-9-3-1-4-10-23)39-35(43)45-26-15-16-44-22-26/h1-14,26,28-32,34,38,40,42H,15-22,37H2,(H,39,43)/t26-,28-,29-,30-,31+,32+,34-,36-/m0/s1",BYWKHOXUUACYRY-RJAVELRTSA-N
DB01825,116836-27-2,2-amino-8-methyl-4(1H)-quinazolinone,experimental,,,,,,MAQ,,,,,,,135460982,[H]N([H])C1=NC(=O)C2=CC=CC(C)=C2N1[H],"InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)",NLLZAHIPYDRNRQ-UHFFFAOYSA-N
DB01826,2769-64-4,N-Butyl Isocyanide,experimental,,,,,,NBN,,ZINC000053683318,,,,,76008,CCCC[N+]#[C-],"InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3",FSBLVBBRXSCOKU-UHFFFAOYSA-N
DB01827,,"2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide",experimental,,,,,,BEK,,ZINC000012501151,,,,,657081,COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F,"InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14)",JTXPTSGPUNTKSM-UHFFFAOYSA-N
DB01828,74-89-5,Methylamine,experimental,,,,,,NME,,,CHEMBL43280,50416492,,16830,6329,CN,"InChI=1S/CH5N/c1-2/h2H2,1H3",BAVYZALUXZFZLV-UHFFFAOYSA-N
DB01829,5863-40-1,Desulfo-coenzyme A,experimental,,,,,,DCA,,ZINC000085433024,,,,,165363,CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C21H36N7O16P3/c1-4-23-12(29)5-6-24-19(32)16(31)21(2,3)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",ILWZMFJBPIYQKW-IBOSZNHHSA-N
DB01830,268741-43-1,AP-22408,experimental,,,,,,CC1,,ZINC000003976478,,,,,445561,CC(=O)N[C@@H](CC1=CC=C(C(=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCC2=CC(OCC3CCCCC3)=C(C=C12)C(N)=O,"InChI=1S/C30H41N3O10P2/c1-18(34)32-25(13-20-11-12-27(44(37,38)39)28(14-20)45(40,41)42)30(36)33-24-10-6-5-9-21-15-26(23(29(31)35)16-22(21)24)43-17-19-7-3-2-4-8-19/h11-12,14-16,19,24-25H,2-10,13,17H2,1H3,(H2,31,35)(H,32,34)(H,33,36)(H2,37,38,39)(H2,40,41,42)/t24-,25-/m0/s1",SPSGYTWOIGAABK-DQEYMECFSA-N
DB01831,,Tryptophanyl-5'amp,experimental,,,,,,TYM,,ZINC000016051386,,,,,134820106,N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1",IFQVDHDRFCKAAW-SQIXAUHQSA-N
DB01832,,4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid,experimental,,,,,,HBU,,ZINC000003581252,,,,,446167,C[P@@](O)(=O)CC(=O)CC(O)=O,"InChI=1S/C5H9O5P/c1-11(9,10)3-4(6)2-5(7)8/h2-3H2,1H3,(H,7,8)(H,9,10)",MZTALSPOBPYJPG-UHFFFAOYSA-N
DB01833,543-38-4,Canavanine,experimental,,,,,,GGB,,ZINC000003869452,CHEMBL443732,50370459,,609827,46224610,N[C@@H](CCONC(N)=N)C(O)=O,"InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1",FSBIGDSBMBYOPN-VKHMYHEASA-N
DB01834,,"(9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene",experimental,,,,,,GPR,,ZINC000015685338,,,,,449366,[H][C@](N)(CCC(=O)N[C@@]([H])(CS[C@]1([H])C2=CC=CC=C2C2=CC=CC=C2[C@@]1([H])O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1",JNNIZILNBMPOAC-MOXQZVSFSA-N
DB01835,,4R-Fluoro-N6-ethanimidoyl-L-lysine,experimental,,,,,,I58,,,,,,,93485622,[H]N([H])[C@@H](C[C@@H](F)CC\N=C(/C)N([H])[H])C(O)=O,"InChI=1S/C8H16FN3O2/c1-5(10)12-3-2-6(9)4-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7-/m0/s1",LTCJJIZTKXNFGK-BQBZGAKWSA-N
DB01836,,"[4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone",experimental,,,,,,ZEN,,ZINC000003581069,CHEMBL270527,50372527,,,446399,ClC1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C1=CC=NC=C1,"InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2",ZLAKCKVFSRSENR-UHFFFAOYSA-N
DB01837,5147-00-2,O-acetyl-L-serine,experimental,,,,,,OAS,,ZINC000000895446,CHEMBL1234916,,,17981,6971051,CC(=O)OC[C@H](N)C(O)=O,"InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1",VZXPDPZARILFQX-BYPYZUCNSA-N
DB01838,,"6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone",experimental,,,,,,FL8,,,,,,,128600,CC1=C(OC2=CC=C(O)C=C2C1=O)C1=CC(Br)=C(O)C(Br)=C1,"InChI=1S/C16H10Br2O4/c1-7-14(20)10-6-9(19)2-3-13(10)22-16(7)8-4-11(17)15(21)12(18)5-8/h2-6,19,21H,1H3",GKDYOXMZSXVKPP-UHFFFAOYSA-N
DB01839,57-55-6,Propylene glycol,"['approved', 'investigational']",,,D00078,34693,,,4024,,CHEMBL286398,,PROPYLENE GLYCOL,16997,1030,CC(O)CO,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3",DNIAPMSPPWPWGF-UHFFFAOYSA-N
DB01840,,2-Deoxy-D-Glucitol 6-(E)-Vinylhomophosphonate,experimental,,,,,,D6P,,ZINC000005828783,,,,,448372,OCC[C@@H](O)[C@H](O)[C@H](O)\C=C\P(O)(O)=O,"InChI=1S/C7H15O7P/c8-3-1-5(9)7(11)6(10)2-4-15(12,13)14/h2,4-11H,1,3H2,(H2,12,13,14)/b4-2+/t5-,6-,7+/m1/s1",CZQSGBWQBMZTMQ-AEVYZNAZSA-N
DB01841,,"4,6-Dideoxyglucose",experimental,,,,,,GLD,,ZINC000012501177,,,,,5288437,[H][C@@]1(C)C[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)O1,"InChI=1S/C6H12O4/c1-3-2-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1",BJBURJZEESAQPG-MOJAZDJTSA-N
DB01842,,3'-Phosphate-Adenosine-5'-Diphosphate,experimental,,,,,,PAP,,ZINC000013527438,,,,,128882,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1",GBBWIZKLHXYJOA-KQYNXXCUSA-N
DB01843,,"(5S,7R,8S,9S,10R)-3-Amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione",experimental,,,,,,GL2,,ZINC000003833818,CHEMBL594722,,,,445717,[H]N([H])N1C(=O)N([H])[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,"InChI=1S/C8H13N3O7/c9-11-6(16)8(10-7(11)17)5(15)4(14)3(13)2(1-12)18-8/h2-5,12-15H,1,9H2,(H,10,17)/t2-,3-,4+,5-,8+/m1/s1",KLJXQBRQPPSXPZ-WWHASAIZSA-N
DB01844,68-12-2,"N,N-dimethylformamide",experimental,3358569,,,,,DMF,,ZINC000000901648,CHEMBL268291,,,17741,6228,CN(C)C=O,"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3",ZMXDDKWLCZADIW-UHFFFAOYSA-N
DB01846,,Oxidized coenzyme A,experimental,,,,,,CAO,,ZINC000098208732,,,,,5287882,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C21H36N7O17P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-40)8-42-48(38,39)45-47(36,37)41-7-11-15(44-46(33,34)35)14(30)20(43-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,40H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",HWMGJMKHOJKGLQ-IBOSZNHHSA-N
DB01847,,N-Carbamyl-D-Valine,experimental,,,,,,CDV,,ZINC000082069927,CHEMBL187835,,,41469,448879,CC(C)[C@@H](NC(N)=O)C(O)=O,"InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1",JDXMIYHOSFNZKO-SCSAIBSYSA-N
DB01849,504-07-4,Dihydrouracil,experimental,,,,,,DUC,,ZINC000000895228,,,,15901,649,O=C1CCNC(=O)N1,"InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)",OIVLITBTBDPEFK-UHFFFAOYSA-N
DB01850,,"(2S,3S,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid",experimental,,,,,,MFD,,,,,,,5288801,CO[C@H](CC1=CC=CC=C1)[C@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(O)=O,"InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16+,18+,19-/m1/s1",HJVCHYDYCYBBQX-AWKNMOFVSA-N
DB01851,2052-49-5,Tetrabutylammonium Ion,experimental,,,,,,TBA,,ZINC000001706222,CHEMBL1236196,50416487,,45825,16028,CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1",DZLFLBLQUQXARW-UHFFFAOYSA-N
DB01852,520-18-3,Kaempherol,experimental,,,,,,KMP,,ZINC000003869768,CHEMBL150,7462,,28499,5280863,OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC-UHFFFAOYSA-N
DB01853,17499-98-8,Bacteriochlorophyll A,experimental,,,,,,BCL,,,,,,30033,11953947,[Mg++].CC[C@@H]1[C@@H](C)\C2=C\C3=C(C(C)=O)C(C)=C([N-]3)\C=C3/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C)C3=C4[N-]\C(=C/C1=N2)C(C)=C4C(=O)[C@@H]3C(=O)OC,"InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1",DSJXIQQMORJERS-AGGZHOMASA-M
DB01854,28733-43-9,5-Bromonicotinamide,experimental,,,,,,BRT,,ZINC000000071433,,,,,1808,NC(=O)C1=CN=CC(Br)=C1,"InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)",YOQRXZIMSKLRCY-UHFFFAOYSA-N
DB01855,,5-(Hydroxy-Methyl-Amino)-3-Methyl-Pyrrolidine-2-Carboxylic Acid,experimental,,,,,,BG4,,ZINC000058626720,,,,,49866700,[H][C@@]1(C)C[C@]([H])(N[C@@]1([H])C(O)=O)N(C)O,"InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1",PGYJBAGGGAUHGV-HSUXUTPPSA-N
DB01856,111-16-0,Pimelic Acid,experimental,,,,,,PML,,ZINC000001529489,CHEMBL1235351,,,30531,385,OC(=O)CCCCCC(O)=O,"InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)",WLJVNTCWHIRURA-UHFFFAOYSA-N
DB01857,,Phosphoaspartate,experimental,,,,,,PHD,,,,,,15836,152441,N[C@@H](CC(=O)OP(O)(O)=O)C(O)=O,"InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1",IXZNKTPIYKDIGG-REOHCLBHSA-N
DB01858,,[1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate,experimental,,,,,,FSP,,ZINC000003817099,CHEMBL185097,50152524,,,5288259,[H][C@@](CCCC)(NC(=O)OCC1(CC2=CC=C(F)C=C2)CCC1)C(=O)C(=O)NC1=CC=NN1,"InChI=1S/C23H29FN4O4/c1-2-3-5-18(20(29)21(30)27-19-10-13-25-28-19)26-22(31)32-15-23(11-4-12-23)14-16-6-8-17(24)9-7-16/h6-10,13,18H,2-5,11-12,14-15H2,1H3,(H,26,31)(H2,25,27,28,30)/t18-/m0/s1",QTPYRNAKLBXKNP-SFHVURJKSA-N
DB01859,263016-95-1,4-CDP-2-C-methyl-D-erythritol 2-phosphate,experimental,,,,,,SUD,,ZINC000008419062,,31908,,16840,443200,C[C@@](CO)(OP(O)(O)=O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,"InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1",HTJXTKBIUVFUAR-XHIBXCGHSA-N
DB01860,73-04-1,Cordycepin Triphosphate,experimental,,,,,,3AT,,ZINC000013540909,CHEMBL480329,86487,,52316,65562,[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1",NLIHPCYXRYQPSD-BAJZRUMYSA-N
DB01861,133-89-1,Uridine diphosphate glucose,experimental,,,,,,UPG,,ZINC000008215472,CHEMBL375951,50423218,,46229,8629,OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1",HSCJRCZFDFQWRP-JZMIEXBBSA-N
DB01862,367-93-1,Isopropyl beta-D-thiogalactopyranoside,experimental,,,,,,IPT,,ZINC000004261913,,192770,,61448,656894,CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1",BPHPUYQFMNQIOC-NXRLNHOXSA-N
DB01863,,"Inositol 1,3,4,5-Tetrakisphosphate",experimental,,,,,,4IP,,ZINC000012494830,CHEMBL23552,50075651,,16783,,O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1",CIPFCGZLFXVXBG-CNWJWELYSA-N
DB01864,37589-80-3,5'-Guanosine-Diphosphate-Monothiophosphate,experimental,,,,,,GSP,,ZINC000008217391,CHEMBL1204628,,,43000,135398675,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",XOFLBQFBSOEHOG-UUOKFMHZSA-N
DB01865,,3-(6-Aminopyridin-3-Yl)-N-Methyl-N-[(1-Methyl-1h-Indol-2-Yl)Methyl]Acrylamide,experimental,,,,,,AYM,,ZINC000029401008,CHEMBL297053,8720,,,5287720,CN(CC1=CC2=C(C=CC=C2)N1C)C(=O)\C=C\C1=CN=C(N)C=C1,"InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+",AKFPMLBVLWZSQX-CSKARUKUSA-N
DB01866,,RU79256,experimental,,,,,,256,,ZINC000001681752,,,,,447536,[H][C@](C(O)=O)(C1=CC=CC=C1)S(O)(=O)=O,"InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1",USNMCXDGQQVYSW-SSDOTTSWSA-N
DB01868,,Glycyl-L-a-Aminopimelyl-E-(D-2-Aminoethyl)Phosphonate,experimental,,,,,,RE1,,,,,,,131704183,[H][C@](C)(N=C([O-])CCCC[C@]([H])(N=C(O)CN)C(O)=O)P(O)(O)=O,"InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1",DREJXTKPUGMERN-YUMQZZPRSA-M
DB01870,,"1,4-dithio-alpha-D-glucopyranose",experimental,,,,,,MA1,,ZINC000005830079,,,,,445237,[H][C@@]1(O)[C@@]([H])(O)[C@]([H])(S)[C@@]([H])(CO)O[C@]1([H])S,"InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6-/m1/s1",MUOMBPNNVXJUGT-QZABAPFNSA-N
DB01871,,[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester,experimental,,,,,,T10,,ZINC000012501255,CHEMBL261723,,,,5289424,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CO,"InChI=1S/C27H28N2O5/c30-18-25(31)23(16-20-10-4-1-5-11-20)28-26(32)24(17-21-12-6-2-7-13-21)29-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24,30H,16-19H2,(H,28,32)(H,29,33)/t23-,24-/m0/s1",OACUXIVGLLCILS-ZEQRLZLVSA-N
DB01872,,2-deoxy-2-acetamido-beta-D-galactose-4-sulfate,experimental,,,,,,ASG,,ZINC000013513371,,,,44391,446101,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O,"InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1",WHCJUIFHMJFEFZ-UIAUGNHASA-N
DB01873,189453-10-9,Epothilone D,investigational,,,,,,EPD,,ZINC000003951739,CHEMBL96172,,KOS-862,29579,447865,[H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1,"InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1",XOZIUKBZLSUILX-GIQCAXHBSA-N
DB01874,532-24-1,Tropinone,experimental,,,,,,TNE,,ZINC000012359923,CHEMBL1236344,,,16656,446337,CN1[C@H]2CC[C@@H]1CC(=O)C2,"InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+",QQXLDOJGLXJCSE-KNVOCYPGSA-N
DB01875,1468-26-4,8-azaxanthine,experimental,,,,,,AZA,,ZINC000018123155,CHEMBL219341,,,40850,135400688,O=C1NC2=C(NN=N2)C(=O)N1,"InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)",KVGVQTOQSNJTJI-UHFFFAOYSA-N
DB01876,,Bis(5-Amidino-2-Benzimidazolyl)Methanone,experimental,,,,,,BAO,,ZINC000003871628,,,,,2281,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(=O)C1=NC2=C(N1)C=CC(=C2)C(N)=N,"InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)",VVVXDHROXQUONB-UHFFFAOYSA-N
DB01877,,"N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide",experimental,,,,,,SPC,,ZINC000005888057,,,,,17754173,CON[C@H]1C[C@@H](N(C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,"InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1",OJLWCTMBGWSVFC-JOYOIKCWSA-N
DB01878,119-61-9,Benzophenone,experimental,,,,18997,,BZQ,,ZINC000000968233,CHEMBL90039,22726,,41308,3102,O=C(C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,RWCCWEUUXYIKHB-UHFFFAOYSA-N
DB01879,,(S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid,experimental,,,,,,TAV,,ZINC000058661194,,,,,656973,[H][C@@](CC(O)=O)(N(C)C(=O)C1=C(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=CC(OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1)C(O)=O,"InChI=1S/C32H26N2O10S2/c1-34(29(32(38)39)19-30(35)36)31(37)27-18-24(44-46(42,43)26-14-11-21-7-3-5-9-23(21)17-26)12-15-28(27)33-45(40,41)25-13-10-20-6-2-4-8-22(20)16-25/h2-18,29,33H,19H2,1H3,(H,35,36)(H,38,39)/t29-/m0/s1",JOAALZBSMWLOPQ-LJAQVGFWSA-N
DB01880,331-39-5,"3,4-Dihydroxycinnamic Acid","['experimental', 'investigational']",,,,,,DHC,,ZINC000000058172,CHEMBL145,4375,CAFFEIC ACID,16433,689043,OC(=O)\C=C\C1=CC(O)=C(O)C=C1,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",QAIPRVGONGVQAS-DUXPYHPUSA-N
DB01881,,"2-Methylpentane-1,2,4-Triol",experimental,,,,,,MQD,,,,,,,447583,[H][C@@](C)(O)C[C@](C)(O)CO,"InChI=1S/C6H14O3/c1-5(8)3-6(2,9)4-7/h5,7-9H,3-4H2,1-2H3/t5-,6-/m0/s1",OMXLSJPESIOAGG-WDSKDSINSA-N
DB01882,,"(2s)-2-Amino-4-(Methylsulfanyl)-1-Pyridin-2-Ylbutane-1,1-Diol",experimental,,,,,,M2C,,ZINC000005929297,,,,,448220,[H][C@](N)(CCSC)C(O)(O)C1=CC=CC=N1,"InChI=1S/C10H16N2O2S/c1-15-7-5-8(11)10(13,14)9-4-2-3-6-12-9/h2-4,6,8,13-14H,5,7,11H2,1H3/t8-/m0/s1",JPZQHIBHGCCNKS-QMMMGPOBSA-N
DB01883,,N-(Sulfanylacetyl)Tyrosylprolylmethioninamide,experimental,,,,,,SD2,,ZINC000033821516,,,,,5289343,[H][C@@](CCSC)(NC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])(CC1=CC=C(O)C=C1)NC(=O)CS)C(N)=O,"InChI=1S/C21H30N4O5S2/c1-32-10-8-15(19(22)28)24-20(29)17-3-2-9-25(17)21(30)16(23-18(27)12-31)11-13-4-6-14(26)7-5-13/h4-7,15-17,26,31H,2-3,8-12H2,1H3,(H2,22,28)(H,23,27)(H,24,29)/t15-,16-,17-/m0/s1",LNLWXWOYQHAKTD-ULQDDVLXSA-N
DB01884,,2-Amino-3-Methyl-1-Pyrrolidin-1-Yl-Butan-1-One,experimental,,,,,,A3M,,ZINC000000007335,CHEMBL383705,50178428,,,447256,[H][C@](N)(C(C)C)C(=O)N1CCCC1,"InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1",IHBAVXVTGLANPI-QMMMGPOBSA-N
DB01885,15892-28-1,D-Galctopyranosyl-1-On,experimental,,,,,,149,,ZINC000003881805,,,,15945,439781,[H][C@]1(O)C(=O)O[C@]([H])(CO)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1",PHOQVHQSTUBQQK-MGCNEYSASA-N
DB01887,,"N,N-[2,5-O-Dibenzyl-glucaryl]-DI-[1-amino-indan-2-OL]",experimental,,,,,,568,,ZINC000024693614,,,,,449128,[H]N([C@@H]1CO[C@H](CO)C1)C(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N([H])[C@@H]1[C@H](O)CC2=CC=CC=C12,"InChI=1S/C34H40N2O9/c37-17-25-16-24(20-43-25)35-33(41)31(44-18-21-9-3-1-4-10-21)29(39)30(40)32(45-19-22-11-5-2-6-12-22)34(42)36-28-26-14-8-7-13-23(26)15-27(28)38/h1-14,24-25,27-32,37-40H,15-20H2,(H,35,41)(H,36,42)/t24-,25-,27+,28-,29+,30+,31+,32+/m0/s1",HLBCBFBFJWGTFR-QKXNMUHCSA-N
DB01888,,"4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide",experimental,,,,,,CT9,,,CHEMBL361348,11428,,,,CC(C)C1=C2N=C(N[C@H]3CC[C@H](N)CC3)C=C(NC3=CC=C(C=C3)S(=O)(=O)N(C)C)N2N=C1,"InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-18-9-11-19(12-10-18)33(31,32)29(3)4)13-21(28-23(20)30)26-17-7-5-16(24)6-8-17/h9-17,27H,5-8,24H2,1-4H3,(H,26,28)/t16-,17-",MDIWBYRNTPTYQI-QAQDUYKDSA-N
DB01889,7148-51-8,"16,17-Androstene-3-Ol",experimental,,,,,,ATE,,ZINC000004352598,CHEMBL142348,50134722,,40933,101989,[H][C@@]12CC=C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(O)CC[C@]12C,"InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1",KRVXMNNRSSQZJP-PHFHYRSDSA-N
DB01890,86303-23-3,"N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide",experimental,,,,,,CPQ,,ZINC000169615617,,,,,446320,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1",OJSUWTDDXLCUFR-HGZMBBKESA-N
DB01891,,Tl-3-093,experimental,,,,,,,,ZINC000015284458,,,,,444425,[H][C@@](CO)(CC1=CC=CC=C1)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(C)NC(=O)OCC1=CC=CC=C1)C(C)C,"InChI=1S/C25H33N3O5/c1-17(2)22(24(31)27-21(15-29)14-19-10-6-4-7-11-19)28-23(30)18(3)26-25(32)33-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,29H,14-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-,22-/m0/s1",QLOIOASGERKBSU-NYVOZVTQSA-N
DB01892,11079-53-1,Hyperforin,nutraceutical,"['17666455', '10852961', '9718074']",,,,,HYF,,ZINC000004097413,CHEMBL1237210,50193079,,5834,,CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,"InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1",IWBJJCOKGLUQIZ-HQKKAZOISA-N
DB01893,,N6-Benzyl Adenosine-5'-Diphosphate,experimental,,,,,,NBS,,,CHEMBL1234640,,,,446795,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(NCC4=CC=CC=C4)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C17H21N5O10P2/c23-13-11(7-30-34(28,29)32-33(25,26)27)31-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,28,29)(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1",MRHGMAGSDAQUFH-LSCFUAHRSA-N
DB01895,,Aspartyl-Adenosine-5'-Monophosphate,experimental,,,,,,AMO,,ZINC000031976613,,,,,444700,[H][C@](N)(CC(O)=O)C(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1",QPBSGQWTJLPZNF-VWJPMABRSA-N
DB01896,,M-Aminophenylboronic Acid,experimental,,,,,,APB,,ZINC000169743006,CHEMBL20852,50067906,,,92269,NC1=CC=CC(=C1)B(O)O,"InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2",JMZFEHDNIAQMNB-UHFFFAOYSA-N
DB01897,,2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride,experimental,,,,,,O16,,ZINC000012501326,,,,,448998,O=C1NNC(=O)C2=CC(=CC=C12)[N+]1=NC(\C=C\C2=CC=CC=C2)=NN1C1=NC2=C(S1)C=CC=C2,"InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+",BEIGFKLRGRRJJA-JLHYYAGUSA-O
DB01898,,"(2S,3S)-2-azanyl-3-methyl-pentanedioic acid",experimental,,,,,,MEG,,ZINC000001672628,CHEMBL38885,,,,9898908,[H][C@](C)(CC(O)=O)[C@]([H])(N)C(O)=O,"InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5-/m0/s1",FHJNAFIJPFGZRI-UCORVYFPSA-N
DB01899,,Nd1-Phosphonohistidine,experimental,,,,,,HIP,,,,,,,,N[C@@H](CC1=C[NH+]=CN1P(O)(O)=O)C(O)=O,"InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/p+1/t5-/m0/s1",VOHVXLVXSYAFOA-YFKPBYRVSA-O
DB01901,57680-56-5,Sucrosofate,experimental,,,,,,,,ZINC000169654783,CHEMBL1235872,,SUCROSOFATE,,444237,OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O,"InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",WEPNHBQBLCNOBB-UGDNZRGBSA-N
DB01902,,"1-Ethyl-Pyrrolidine-2,5-Dione",experimental,,,,,,NEN,,ZINC000001670837,,,,44348,16842,CCN1C(=O)CCC1=O,"InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3",GHAZCVNUKKZTLG-UHFFFAOYSA-N
DB01903,51432-32-7,5-Bromo-2'-deoxyuridine 5'-(dihydrogen phosphate),experimental,,,,,,BRU,,ZINC000006090961,CHEMBL1160593,50010238,,,93036,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(Br)C(=O)NC1=O,"InChI=1S/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1",LHLHVDBXXZVYJT-RRKCRQDMSA-N
DB01905,,2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine,experimental,,,,,,123,,,,13939,,,1502,COC1=CC=C(O)C(=C1)C1=NC2=C(N1)C=CC(=C2)C(N)=[NH2+],"InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1",ZFCKHJJALHETHG-UHFFFAOYSA-O
DB01906,,"3-(5-amino-7-hydroxy-(1,2,3)triazolo(4,5-d)pyrimidin-2-yl)benzoic acid",experimental,,,,,,A45,,ZINC000006535065,CHEMBL265758,50143061,,,135460974,NC1=NC2=NN(N=C2C(O)=N1)C1=CC(=CC=C1)C(O)=O,"InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)",KNLLRZNGRRRPEW-UHFFFAOYSA-N
DB01908,,RU85493,experimental,,,,,,493,,ZINC000027559719,CHEMBL436462,14695,,,5287515,CC(=O)N[C@@H](CC1=CC=C(OCC(O)=O)C(=C1)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,"InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27-/m0/s1",MWEWSHNGVWABKG-SVBPBHIXSA-N
DB01909,10016-20-3,Alpha-Cyclodextrin (Cyclohexa-Amylose),experimental,,,,,,,,ZINC000242498445,CHEMBL1230813,,ALFADEX,40585,444913,[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O,"InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1",HFHDHCJBZVLPGP-RWMJIURBSA-N
DB01910,58944-73-3,Sinefungin,experimental,,,D05846,,,SFG,,ZINC000004217451,CHEMBL1214186,50378739,,45453,65482,[H][C@](N)(CC[C@]([H])(N)C(O)=O)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1",LMXOHSDXUQEUSF-YECHIGJVSA-N
DB01911,142234-85-3,N-Methylmesoporphyrin,experimental,,,,,,MMP,,,,,,,,CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N\C(=C/C1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)N3C,"InChI=1S/C35H40N4O4/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28/h14-17,36H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-",YNWHQWMCLCANDI-YIYRCNGCSA-N
DB01912,,"2,2':6',2''-Terpyridine Platinum(Ii)",experimental,,,,,,TPT,,,,,,,124734,[Cl-].[Pt++].C1=CC=C(N=C1)C1=CC=CC(=N1)C1=CC=CC=N1,InChI=1S/C15H11N3.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h1-11H;1H;/q;;+2/p-1,XTQMQLRZXBEQCS-UHFFFAOYSA-M
DB01914,50-99-7,D-glucose,"['vet_approved', 'approved', 'investigational']","['12626323', '6345242', '11716754', '20009031', '736717', '21147888', '26176916', '13143092', '24587162']",,,349730,,GLO,,ZINC000100009383,CHEMBL448805,,,42758,107526,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C=O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1",GZCGUPFRVQAUEE-SLPGGIOYSA-N
DB01915,,S-Hydroxycysteine,experimental,,,,,,CSO,,,,,,41710,122706489,N[C@@H](CSO)C(O)=O,"InChI=1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",FXIRVRPOOYSARH-REOHCLBHSA-N
DB01917,110-60-1,Putrescine,experimental,,,,,,PUT,,ZINC000005828633,CHEMBL46257,50009385,PUTRESCINE,17148,1045,NCCCCN,InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2,KIDHWZJUCRJVML-UHFFFAOYSA-N
DB01918,,[Methyltelluro]Acetate,experimental,,,,,,MTD,,,,,,,1954,C[Te]CC([O-])=O,"InChI=1S/C3H6O2Te/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1",OKJWQADPGUWQAJ-UHFFFAOYSA-M
DB01919,110-62-3,Pentanal,experimental,,,,,,PTL,,ZINC000001667603,CHEMBL18602,50028837,,84069,8063,CCCCC=O,"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",HGBOYTHUEUWSSQ-UHFFFAOYSA-N
DB01920,,1-O-[O-Nitrophenyl]-Beta-D-Galactopyranose,experimental,,,,,,145,,ZINC000003860652,CHEMBL1229648,,,90144,96647,[H][C@]1(CO)O[C@@]([H])(OC2=CC=CC=C2N(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1",KUWPCJHYPSUOFW-YBXAARCKSA-N
DB01921,,Xylose-derived lactam oxime,experimental,,,,,,LOX,,ZINC000036766387,,,,,445614,[H]N(O)C1=NC[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C5H10N2O4/c8-2-1-6-5(7-11)4(10)3(2)9/h2-4,8-11H,1H2,(H,6,7)/t2-,3+,4-/m1/s1",JDBSITHMKSTORG-FLRLBIABSA-N
DB01922,,"Maltosyl-Alpha (1,4)-D-Gluconhydroximo-1,5-Lactam",experimental,,,,,,LAG,,ZINC000064460049,CHEMBL1233953,50120838,,,448828,[H][C@]1(CO)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O[C@]3([H])[C@@]([H])(CO)N=C(NO)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1",AHRWQUNEPBVNOT-IVJVVCOPSA-N
DB01923,60802-29-1,L-Xylulose 5-Phosphate,experimental,,,,,,LX1,,ZINC000001529626,,,,16593,23615404,[H][C@](O)(COP(O)(O)=O)[C@@]([H])(O)C(=O)CO,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m0/s1",FNZLKVNUWIIPSJ-WHFBIAKZSA-N
DB01924,495-18-1,Benzhydroxamic Acid,experimental,,,,,,BHO,,ZINC000004701351,CHEMBL16300,50015184,,,10313,ONC(=O)C1=CC=CC=C1,"InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)",VDEUYMSGMPQMIK-UHFFFAOYSA-N
DB01925,,"2'-Chloro-Biphenyl-2,3-Diol",experimental,,,,,,BP3,,,,,,49512,178518,OC1=CC=CC(=C1O)C1=C(Cl)C=CC=C1,"InChI=1S/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H",SNGROCQMAKYWRE-UHFFFAOYSA-N
DB01926,,Carboxymycobactin S,experimental,,,,,,CM1,,,,,,,,C[C@H]1C[C@H](O)N[C@@H]2CCCCN(O[Fe@@]34O[C@@H](\C=C\CCCCCCC(O)=O)[N@](CCCC[C@H](NC(=O)[C@H]5COC(=N5)C5=CC=CC=C5O3)C(=O)O1)O4)C2=O,"InChI=1S/C36H52N5O12.Fe/c1-24(22-30(43)37-26-15-10-13-21-41(51)35(26)48)53-36(49)27(38-33(47)28-23-52-34(39-28)25-14-8-9-17-29(25)42)16-11-12-20-40(50)31(44)18-6-4-2-3-5-7-19-32(45)46;/h6,8-9,14,17-18,24,26-28,30-31,37,42-43H,2-5,7,10-13,15-16,19-23H2,1H3,(H,38,47)(H,45,46);/q-3;+4/p-1/b18-6+;/t24-,26+,27-,28?,30-,31-;/m0./s1",FHVPNAZTTVYYAS-USYALTDMSA-M
DB01927,527-17-3,Duroquinone,experimental,,,,,,DQN,,ZINC000000087597,CHEMBL151604,,,42023,68238,CC1=C(C)C(=O)C(C)=C(C)C1=O,InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3,WAMKWBHYPYBEJY-UHFFFAOYSA-N
DB01929,,"5-Chloryl-2,4,6-quinazolinetriamine",experimental,,,,,,CLZ,,,,,,,4627204,NC1=C(C2=C(N)N=C(N)N=C2C=C1)[Cl](=O)=O,"InChI=1S/C8H8ClN5O2/c10-3-1-2-4-5(6(3)9(15)16)7(11)14-8(12)13-4/h1-2H,10H2,(H4,11,12,13,14)",AOIWFGJNGXKHGL-UHFFFAOYSA-N
DB01930,470-29-1,"2,4-Dihydroxy-3,3-Dimethyl-Butyrate",experimental,,,,,,PAF,,,,,,15980,5289105,CC(C)(CO)[C@@H](O)C([O-])=O,"InChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/p-1/t4-/m0/s1",OTOIIPJYVQJATP-BYPYZUCNSA-M
DB01931,131123-76-7,"5,7-Dichlorokynurenic acid",experimental,,,,,,DK1,,ZINC000008660423,CHEMBL50267,213889,,107660,1779,OC(=O)C1=CC(O)=C2C(Cl)=CC(Cl)=CC2=N1,"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)",BGKFPRIGXAVYNX-UHFFFAOYSA-N
DB01932,616-43-3,5-Methylpyrrole,experimental,,,,,,5MP,,ZINC000002034399,CHEMBL426643,50167953,,,12023,CC1=CNC=C1,"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3",FEKWWZCCJDUWLY-UHFFFAOYSA-N
DB01933,112953-11-4,7-Hydroxystaurosporine,"['experimental', 'investigational']",,,,,,UCN,,ZINC000003814435,CHEMBL1236539,17054,,,72271,[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4[C@@H](O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13,"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1",PBCZSGKMGDDXIJ-HQCWYSJUSA-N
DB01934,,Arylomycin A2,experimental,,,,,,,,ZINC000085740056,CHEMBL1231055,,,,9988024,CC(C)CCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(O)C=C2)C2=CC(C[C@H](NC(=O)[C@H](C)NC1=O)C(O)=O)=CC=C2O,"InChI=1S/C42H60N6O11/c1-24(2)13-11-9-7-8-10-12-14-35(52)47(5)32(23-49)40(56)44-25(3)38(54)43-22-36(53)48(6)37-28-16-18-34(51)30(21-28)29-19-27(15-17-33(29)50)20-31(42(58)59)46-39(55)26(4)45-41(37)57/h15-19,21,24-26,31-32,37,49-51H,7-14,20,22-23H2,1-6H3,(H,43,54)(H,44,56)(H,45,57)(H,46,55)(H,58,59)/t25-,26+,31+,32-,37+/m1/s1",YFSXYWAZCKMYJN-JBBOGOJTSA-N
DB01935,,3-{[(1r)-1-Benzyl-2-Sulfanylethyl]Amino}-3-Oxopropanoic Acid,experimental,,,,,,RRT,,,CHEMBL45412,50006115,,,657144,[H][C@](CS)(CC1=CC=CC=C1)NC(=O)CC(O)=O,"InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1",REPVVNYZORKKPQ-SNVBAGLBSA-N
DB01936,37388-49-1,alpha-D-arabinofuranose,"['experimental', 'investigational']",,,,,,BXY,,ZINC000003581471,,,,145590,9996708,OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m1/s1",HMFHBZSHGGEWLO-MBMOQRBOSA-N
DB01937,130-50-7,Guanosine-2'-monophosphate,experimental,,,,,,2GP,,ZINC000005224737,,,,74948,135460966,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(O)(O)=O)C(=O)N1,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",WTIFIAZWCCBCGE-UUOKFMHZSA-N
DB01938,,L-Histidine Beta Naphthylamide,experimental,,,,,,HBN,,ZINC000008585585,,,,,6541406,[H][C@@](N)(CC1=CN=CN1)C(=O)NC1=CC=C2C=CC=CC2=C1,"InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1",DKDILZBBFKZMRO-OAHLLOKOSA-N
DB01939,,5-Amidino-Benzimidazole,experimental,,,,,,ABI,,,,,,,1800,NC(=[NH2+])C1=CC2=C(C=C1)N=CN2,"InChI=1S/C8H8N4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H3,9,10)(H,11,12)/p+1",UHGFPMUGEQINGV-UHFFFAOYSA-O
DB01940,,Balanol Analog 2,experimental,,,,,,BD2,,ZINC000012501369,,,,,10050566,[H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1O)NC(=O)C1=CC=C(O)C=C1,"InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1",SQLYTJZXRRDERK-ISKFKSNPSA-N
DB01941,153559-76-3,LG-100268,experimental,,,,,,LG2,,ZINC000003873121,CHEMBL288436,50032671,,,3922,CC1=C(C=C2C(=C1)C(C)(C)CCC2(C)C)C1(CC1)C1=CC=C(C=N1)C(O)=O,"InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)",SLXTWXQUEZSSTJ-UHFFFAOYSA-N
DB01942,64-18-6,Formic acid,"['experimental', 'investigational']",,,,4537,PA449705,FMT,,,CHEMBL116736,,,30751,284,[H]C(O)=O,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)",BDAGIHXWWSANSR-UHFFFAOYSA-N
DB01944,,(S)-blebbistatin,experimental,,,,,,BIT,,ZINC000002526884,CHEMBL1231358,,,75388,5287792,CC1=CC=C2N=C3N(CC[C@@]3(O)C(=O)C2=C1)C1=CC=CC=C1,"InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1",LZAXPYOBKSJSEX-GOSISDBHSA-N
DB01945,,4-Carbamoyl-1-Beta-D-Ribofuranosyl-Imidazolium-5-Olate-5'-Phosphate,experimental,,,,,,MZP,,,,,,,46926304,[H][C@]1(COP(O)([O-])=O)O[C@@]([H])(N2C=NC(C(N)=O)=C2[O-])[C@]([H])(O)[C@]1([H])O,"InChI=1S/C9H14N3O9P/c10-7(15)4-8(16)12(2-11-4)9-6(14)5(13)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,13-14,16H,1H2,(H2,10,15)(H2,17,18,19)/p-2/t3-,5-,6-,9-/m1/s1",KTKAFSMJDTUUAN-UUOKFMHZSA-L
DB01946,125313-65-7,Bisindolylmaleimide VIII,experimental,,,,,,BI8,,ZINC000002011710,CHEMBL269264,2695,,,2403,CN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2,"InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)",UQHKJRCFSLMWIA-UHFFFAOYSA-N
DB01947,,RU78262,experimental,,,,,,262,,,CHEMBL286678,14680,,,5287463,OP(O)(=O)OC1=C(C=O)C=CC=C1,"InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11)",BYNSFVCWJXZPOW-UHFFFAOYSA-N
DB01948,,"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One",experimental,,,,,,358,,ZINC000001553194,CHEMBL564912,15242,,,447725,FC1=CC=C(C(F)=C1)C1=CC(=CC2=C1CCC(=O)N2C1=C(Cl)C=CC=C1Cl)C1CCNCC1,"InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2",VXIYTVJEIXMAQF-UHFFFAOYSA-N
DB01949,,"2-Amino-N,3,3-Trimethylbutanamide",experimental,,,,,,BUM,,ZINC000002568180,,,,,445856,CNC(=O)[C@@H](N)C(C)(C)C,"InChI=1S/C7H16N2O/c1-7(2,3)5(8)6(10)9-4/h5H,8H2,1-4H3,(H,9,10)/t5-/m1/s1",BPKJNEIOHOEWLO-RXMQYKEDSA-N
DB01950,487021-52-3,AR-AO-14418,experimental,,,,,,TMU,,ZINC000003818778,CHEMBL259850,50229962,,,448014,COC1=CC=C(CNC(=O)NC2=NC=C(S2)[N+]([O-])=O)C=C1,"InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)",YAEMHJKFIIIULI-UHFFFAOYSA-N
DB01951,,Gpi-1046,experimental,,,,,,GPI,,ZINC000003827029,CHEMBL6367,23334,,,445501,[H][C@]1(CCCN1C(=O)C(=O)C(C)(C)CC)C(=O)OCCCC1=CN=CC=C1,"InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1",OQAHHWOPVDDWHD-INIZCTEOSA-N
DB01952,13875-63-3,"1,N6-Ethenoadenine",experimental,,,,,,EA1,,ZINC000012501389,,,,29146,104994,N1C=NC2=C1N=CN1C=CN=C21,"InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)",OGVOXGPIHFKUGM-UHFFFAOYSA-N
DB01953,,Inhibitor of P38 Kinase,experimental,,,,,,L12,,ZINC000000094256,CHEMBL193156,13346,,,27934,C(CC1=CC=NC=C1)C1=CNC2=CC=CC=C12,"InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2",UUEYCHLWAOBOHG-UHFFFAOYSA-N
DB01954,61413-54-5,Rolipram,investigational,,,D01783,,PA153906323,,,,CHEMBL63,14361,ROLIPRAM,104872,5092,COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1,"InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)",HJORMJIFDVBMOB-UHFFFAOYSA-N
DB01955,110-63-4,"1,4-Butanediol",experimental,"['11150358', '12892832', '6717752']",,,,,BU1,,ZINC000001599375,CHEMBL171623,,,41189,8064,OCCCCO,"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",WERYXYBDKMZEQL-UHFFFAOYSA-N
DB01956,107-35-7,Taurine,"['approved', 'nutraceutical']","['25545282', '22331997', '23170060', '508122', '22304837', '16478528', '29038364']",,D00047,10337,PA451590,TAU,4486,ZINC000003809490,CHEMBL239243,50357220,AMINOETHYLSULFONIC ACID,15891,4068592,NCCS(O)(=O)=O,"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)",XOAAWQZATWQOTB-UHFFFAOYSA-N
DB01957,108-43-0,3-Chlorophenol,experimental,,,,,,3CH,,ZINC000000404329,CHEMBL41172,50167952,,38855,7933,OC1=CC=CC(Cl)=C1,"InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H",HORNXRXVQWOLPJ-UHFFFAOYSA-N
DB01958,,"5-[4-Tert-Butylphenylsulfanyl]-2,4-Quinazolinediamine",experimental,,,,,,TQ5,,ZINC000008657832,CHEMBL329985,18047,,,3537,CC(C)(C)C1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1,"InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)",MNYDVPDMLAJJPB-UHFFFAOYSA-N
DB01959,,"3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",experimental,,,,,,7DE,,ZINC000000027048,CHEMBL1230564,14798,,,656969,CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O,"InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3",MSYGAHOHLUJIKV-UHFFFAOYSA-N
DB01960,104809-16-7,"7-methyl-7,8-dihydroguanosine-5'-diphosphate",experimental,,,,,,M7G,,ZINC000013548083,,,,43977,135509116,CN1CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,"InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1",QQODJOAVWUWVHJ-KQYNXXCUSA-N
DB01961,84-52-6,Cytidine 3'-monophosphate,experimental,,,,,,C3P,,ZINC000004096919,CHEMBL258728,50233301,,53013,66535,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",UOOOPKANIPLQPU-XVFCMESISA-N
DB01962,21820-51-9,Phosphonotyrosine,experimental,,,,,,PTR,,ZINC000001530464,CHEMBL286939,,,37788,30819,N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O,"InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1",DCWXELXMIBXGTH-QMMMGPOBSA-N
DB01963,34420-17-2,Phenylethane Boronic Acid,experimental,,,,,,PBA,,ZINC000169745352,CHEMBL20461,26142,,,65389,OB(O)CCC1=CC=CC=C1,"InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2",VPRUMANMDWQMNF-UHFFFAOYSA-N
DB01964,,AL5424,experimental,,,,,,AL2,,ZINC000003870877,,,,,444612,[H][C@]1(O)CN(C2=CC=C(OC)C=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)/t11-/m0/s1",ZWTSOJQGEWPWGO-NSHDSACASA-N
DB01965,,"2'-Deoxyuridine 5'-alpha,beta-imido-triphosphate",experimental,,,,,,DUP,,,CHEMBL1232397,50386619,,,448381,[H]N(P(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)N([H])C1=O)P(O)(=O)OP(O)(O)=O,"InChI=1S/C9H16N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/t5-,6+,8+/m0/s1",XZLLMTSKYYYJLH-SHYZEUOFSA-N
DB01966,,Di-Stearoyl-3-Sn-Phosphatidylethanolamine,experimental,,,,,,,,ZINC000032837869,,,,47767,17754131,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m0/s1",LVNGJLRDBYCPGB-KDXMTYKHSA-N
DB01967,,"N-{3-[(7ar,12as,12bs)-7-Oxo-1,3,4,6,7,7a,12a,12b-Octahydroindolo[2,3-a]Quinolizin-12(2h)-Yl]Propyl}Propane-2-Sulfonamide",experimental,,,,,,WAC,,ZINC000016051423,,,,,11987780,[H][C@@]12CCCC[N@]1CC(=O)C1=C2N(CCCNS(=O)(=O)C(C)C)C2=C1C=CC=C2,"InChI=1S/C21H29N3O3S/c1-15(2)28(26,27)22-11-7-13-24-17-9-4-3-8-16(17)20-19(25)14-23-12-6-5-10-18(23)21(20)24/h3-4,8-9,15,18,22H,5-7,10-14H2,1-2H3/t18-/m0/s1",LICJTIDRHJECTD-SFHVURJKSA-N
DB01968,,2-Thioethenamine,experimental,,,,,,TEE,,,,,,,17754199,[H]\C(N)=C(/[H])S,"InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1-",JLZMZFJVTNYDOT-UPHRSURJSA-N
DB01969,,Trifluoroacetonyl coenzyme A,experimental,,,,,,COF,,ZINC000195757942,,,,,449575,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)C(F)(F)F)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C24H37F3N7O17P3S/c1-23(2,18(38)21(39)30-4-3-14(36)29-5-6-55-8-13(35)24(25,26)27)9-48-54(45,46)51-53(43,44)47-7-12-17(50-52(40,41)42)16(37)22(49-12)34-11-33-15-19(28)31-10-32-20(15)34/h10-12,16-18,22,37-38H,3-9H2,1-2H3,(H,29,36)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t12-,16-,17-,18+,22-/m1/s1",XDIQTPZOIIYCTR-GRFIIANRSA-N
DB01970,,"Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide",experimental,,,,,,HG9,,ZINC000014880162,,,,,17754023,[H][C@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CCO)C(=O)CCCCCCCC,"InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16-,17+/m1/s1",REPLXGVUTGZQCG-WTTBNOFXSA-N
DB01971,3465-72-3,trans-urocanic acid,experimental,,,,,,URO,,ZINC000034633903,CHEMBL1236602,,,30817,736715,OC(=O)\C=C\C1=CNC=N1,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+",LOIYMIARKYCTBW-OWOJBTEDSA-N
DB01972,85-32-5,Guanosine-5'-Monophosphate,experimental,,,,,,G,,ZINC000002159505,CHEMBL283807,50010318,,17345,135398631,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",RQFCJASXJCIDSX-UUOKFMHZSA-N
DB01973,,O-Benzylsulfonyl-Serine,experimental,,,,,,SEB,,ZINC000012501417,,,,,17754162,N[C@@H](COS(=O)(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1",GCZVEKLTOLTWLM-VIFPVBQESA-N
DB01974,,"2-Amino-3-[5-(Amino-Carboxy-Methyl)-2,3-Dihydro-Isoxazol-3-Ylsulfanyl]-Propionic Acid",experimental,,,,,,143,,ZINC000006361271,,,,,17753762,[H][C@](N)(CS[C@@]1([H])NOC(=C1)[C@]([H])(N)C(O)=O)C(O)=O,"InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1",BKLXHXYNMPKLBR-LFRDXLMFSA-N
DB01975,,AMPCPR,experimental,,,,,,ADV,,ZINC000015636817,,,,,446724,[H][C@]1(O)O[C@]([H])(COP(O)(=O)CP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C16H25N5O13P2/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(33-15)1-31-35(27,28)5-36(29,30)32-2-7-10(23)12(25)16(26)34-7/h3-4,6-7,9-12,15-16,22-26H,1-2,5H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16+/m1/s1",ZPZRETFSCSWNDT-DBXCYWGHSA-N
DB01976,62813-37-0,Aminoanthracene,experimental,,,,,,ANC,,ZINC000001689948,CHEMBL82321,,,40678,11885,NC1=CC=CC2=C1C=C1C=CC=CC1=C2,"InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2",YUENFNPLGJCNRB-UHFFFAOYSA-N
DB01977,,6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine,experimental,,,,,,675,,ZINC000002047486,CHEMBL104937,50138670,,,447732,NC(=N)C1=CC=C2C=C(C=CC2=C1)C(=O)NC1=CC=CC=C1,"InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)",AECPTICWHONWNW-UHFFFAOYSA-N
DB01978,55235-22-8,"7,9-Dimethylguanine",experimental,,,,,,NDM,,ZINC000095921273,,,,,131704185,[H][C@@]1(N)NC2=C([N+](C)=CN2C)[C@]([H])(O)N1,"InChI=1S/C7H14N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3,6-7,9-10,13H,8H2,1-2H3/q+1/t6-,7+/m0/s1",UCYXILDOFXGENE-NKWVEPMBSA-N
DB01979,25281-48-5,Methyl alpha-D-mannoside,experimental,,,,,,MMA,,ZINC000004261920,CHEMBL195368,50166886,,43943,101798,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1",HOVAGTYPODGVJG-VEIUFWFVSA-N
DB01980,,Para-Iodo-D-Phenylalanine Hydroxamic Acid,experimental,,,,,,IPO,,ZINC000006707115,,,,,5288643,[H][C@@](N)(CC1=CC=C(I)C=C1)C(=O)NO,"InChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1",AJEPKWPHKPETBM-MRVPVSSYSA-N
DB01981,96519-18-5,"3,6-Anhydro-2-(hydrogen sulfate)-alpha-D-galactopyranose",experimental,,,,,,DGS,,ZINC000005851134,,,,,446806,[H][C@@]12CO[C@@]([H])([C@H]1O)[C@@H](OS(O)(=O)=O)[C@@H](O)O2,"InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1",BBGPRYFPTZDJIZ-PHYPRBDBSA-N
DB01982,1986-14-7,D-Mannuronic Acid,experimental,,,,,,MAV,,,,,,16224,657117,[H][C@]1(O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6-/m0/s1",AEMOLEFTQBMNLQ-BYHBOUFCSA-N
DB01983,,2(S)-Amino-6-Boronohexanoic Acid,experimental,,,,,,ABH,,ZINC000169748469,,,,,444965,N[C@@H](CCCC[B-](O)(O)O)C(O)=O,"InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1",BLVGFZFOWWBCCZ-YFKPBYRVSA-N
DB01984,,(4S)-5-[[(1S)-1-Carboxy-2-cyclohexylethyl]amino]-4-[[(2S)-2-[[(3R)-4-cyclohexyl-2-oxo-3-(phenylmethoxycarbonylamino)butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid,experimental,,,,,,DKT,,ZINC000098208801,,,,,17753951,NC(N)=NCCC[C@H](NC(=O)C(=O)[C@@H](CC1CCCCC1)NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O,"InChI=1S/C38H57N7O10/c39-37(40)41-20-10-17-27(33(49)42-28(18-19-31(46)47)34(50)44-30(36(52)53)22-25-13-6-2-7-14-25)43-35(51)32(48)29(21-24-11-4-1-5-12-24)45-38(54)55-23-26-15-8-3-9-16-26/h3,8-9,15-16,24-25,27-30H,1-2,4-7,10-14,17-23H2,(H,42,49)(H,43,51)(H,44,50)(H,45,54)(H,46,47)(H,52,53)(H4,39,40,41)/t27-,28-,29+,30-/m0/s1",LKCWMWZIRUHWBW-ZXYZSCNASA-N
DB01985,155-84-0,N-acetyl-L-arginine,experimental,,,,,,AAG,,ZINC000001847640,,,,40521,1615663,CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1",SNEIUMQYRCDYCH-LURJTMIESA-N
DB01986,,3-Fluoro-2-Methyl-Aniline,experimental,,,,,,FLM,,ZINC000000407040,,,,,285553,CC1=C(N)C=CC=C1F,"InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3",SLDLVGFPFFLYBM-UHFFFAOYSA-N
DB01987,136-08-3,Cocarboxylase,"['experimental', 'approved']",,,,10459,,,,,CHEMBL1236235,,,45931,71586757,CC1=C(CCO[P@](O)(=O)O[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)",AYEKOFBPNLCAJY-UHFFFAOYSA-N
DB01988,,6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine,experimental,,,,,,6NP,,ZINC000012501440,,,,,4369379,C([C@H]1CN(CCN1)C1=NN=C(C2=CC3=CC=CC=C3C=C2)C(=C1)C1=CC=NC=C1)C1=CC=CC=C1,"InChI=1S/C30H27N5/c1-2-6-22(7-3-1)18-27-21-35(17-16-32-27)29-20-28(24-12-14-31-15-13-24)30(34-33-29)26-11-10-23-8-4-5-9-25(23)19-26/h1-15,19-20,27,32H,16-18,21H2/t27-/m0/s1",WFSFNKVFXLIZIY-MHZLTWQESA-N
DB01989,,Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate,experimental,,,,,,PKF,,,,,,,16741116,[H]N([C@@H](CCCC[N+]([H])([H])[H])C(=O)N([H])[C@@H](CC1=CC=CC=C1)P(O)(=O)N([H])[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1,"InChI=1S/C36H51N6O9P/c1-25(34(45)41-21-12-19-30(41)35(46)50-2)40-52(48,49)31(23-26-13-5-3-6-14-26)39-32(43)28(17-9-10-20-37)38-33(44)29-18-11-22-42(29)36(47)51-24-27-15-7-4-8-16-27/h3-8,13-16,25,28-31H,9-12,17-24,37H2,1-2H3,(H,38,44)(H,39,43)(H2,40,48,49)/p+1/t25-,28-,29-,30-,31+/m0/s1",JVJRALIDWYDPLY-HEPRJOMSSA-O
DB01990,1256-86-6,Cholesterol sulfate,experimental,,,,,,C3S,,ZINC000012494196,CHEMBL1231592,,,41321,65076,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",BHYOQNUELFTYRT-DPAQBDIFSA-N
DB01991,,TU-514,experimental,,,,,,TUX,,ZINC000058661188,CHEMBL1236446,50483375,,,449223,[H]N(O)C(=O)C[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC,"InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1",INAPDIIIYSWKOC-XHIHJMKYSA-N
DB01992,85-61-0,Coenzyme A,"['nutraceutical', 'investigational']",,,,1314344,,COA,,ZINC000008551087,CHEMBL1213327,50367033,,15346,87642,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",RGJOEKWQDUBAIZ-IBOSZNHHSA-N
DB01993,,N-(5'-Phosphopyridoxyl)-D-Alanine,experimental,,,,,,PDD,,ZINC000002047235,,,,44743,446862,C[C@@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O,"InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1",WACJCHFWJNNBPR-SSDOTTSWSA-N
DB01994,,"2-(Pyrido[1,2-E]Purin-4-Yl)Amino-Ethanol",experimental,,,,,,PPZ,,ZINC000003581236,,,,,1522,OCCNC1=NC=NC2=C1N=C1C=CC=CN21,"InChI=1S/C11H11N5O/c17-6-4-12-10-9-11(14-7-13-10)16-5-2-1-3-8(16)15-9/h1-3,5,7,17H,4,6H2,(H,12,13,14)",QBILBVYKWQWDQJ-UHFFFAOYSA-N
DB01995,3590-36-1,5-methylcytidine 5'-monophosphate,experimental,,,,,,5MC,,ZINC000013511986,CHEMBL72388,,,74725,192785,CC1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N=C1N,"InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1",NJQONZSFUKNYOY-JXOAFFINSA-N
DB01996,108-99-6,3-Methylpyridine,experimental,,,,,,3MP,,ZINC000008294958,CHEMBL15722,,,39922,7970,CC1=CC=CN=C1,"InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",ITQTTZVARXURQS-UHFFFAOYSA-N
DB01997,,3-Bromo-7-Nitroindazole,experimental,,,,,,INE,,ZINC000003870920,CHEMBL479014,50270528,,,1649,BrC1=NNC2=C1C=CC=C2N(=O)=O,"InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)",NFSTZPMYAZRZPC-UHFFFAOYSA-N
DB01998,,"2-[3,4-Dihydroxy-2-Hydroxymethyl-5-(2-Hydroxy-Nonyl)-Tetrahydro-Furan-2-Yloxy]-6-Hydroxymethyl-Tetra Hydro-Pyran-3,4,5-Triol",experimental,,,,,,SUM,,ZINC000015605707,,,,,17754184,[H][C@@](O)(CCCCCCC)C[C@@]1([H])O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C20H38O11/c1-2-3-4-5-6-7-11(23)8-12-15(25)18(28)20(10-22,30-12)31-19-17(27)16(26)14(24)13(9-21)29-19/h11-19,21-28H,2-10H2,1H3/t11-,12-,13-,14-,15-,16+,17-,18+,19-,20+/m1/s1",IMFJFQAURAFEAH-ZLSOQEJISA-N
DB01999,,"5,10,15,20-Tetrakis(4-Sulpfonatophenyl)-21h,23h-Porphine",experimental,,,,,,SFP,,,,,,,,OS(O)(O)C1=CC=C(C=C1)C-1=C2\C=CC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\-1N2)C1=CC=C(C=C1)S(O)(O)O)C1=CC=C(C=C1)S([O-])([O-])[O-])\C1=CC=C(C=C1)S(O)(O)[O-],"InChI=1S/C44H38N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48-60H/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",OVPFWIRROXFHGQ-LWQDQPMZSA-J
DB02001,,"5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine",experimental,,,,,,TQ6,,ZINC000008642910,CHEMBL328827,18048,,,3534,NC1=NC2=C(C(N)=N1)C(SC1=CC=C(C=C1)N1CCOCC1)=CC=C2,"InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)",CZLWCJRHDBTCGQ-UHFFFAOYSA-N
DB02002,,2-Aminoprop-2-Enamide,experimental,,,,,,PYT,,ZINC000100031476,,,,,3332061,NC(=C)C(N)=O,"InChI=1S/C3H6N2O/c1-2(4)3(5)6/h1,4H2,(H2,5,6)",IUMRWGYGZHKZKF-UHFFFAOYSA-N
DB02004,,"5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine",experimental,,,,,,5AP,,ZINC000003817007,CHEMBL34062,11593,,,448436,COC1=CC(=CC(OC)=C1)C1=NC(=C(CN)C(N)=N1)C1=CC=C(Cl)C=C1Cl,"InChI=1S/C19H18Cl2N4O2/c1-26-12-5-10(6-13(8-12)27-2)19-24-17(15(9-22)18(23)25-19)14-4-3-11(20)7-16(14)21/h3-8H,9,22H2,1-2H3,(H2,23,24,25)",RCJFINNFYUNFGH-UHFFFAOYSA-N
DB02005,,2-Oxo-3-Pentenoic Acid,experimental,,,,,,OXP,,,,,,,5289089,[H]\C(C)=C(/[H])C(=O)C(O)=O,"InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3H,1H3,(H,7,8)/b3-2-",IWARWSDDJHGZOW-IHWYPQMZSA-N
DB02006,,Br-Coeleneterazine,experimental,,,,,,CZB,,ZINC000103537743,,,,,49866866,[H][C@@]1(CC2=CC=CC=C2)NC(=CN2C(=O)[C@](CC3=CC=C(Br)C=C3)(OO)N=C12)C1=CC=C(O)C=C1,"InChI=1S/C26H22BrN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26-/m0/s1",UCEOLAINXJPTDK-NVQXNPDNSA-N
DB02007,15209-11-7,alpha-D-glucose 6-phosphate,experimental,,,,,,G6P,,ZINC000003875375,,,,17665,439284,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1",NBSCHQHZLSJFNQ-DVKNGEFBSA-N
DB02008,,1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine,experimental,,,,,,FTB,,ZINC000015804848,CHEMBL120708,50133801,,,447371,CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O,"InChI=1S/C25H26FN5O3/c1-3-4-13-30-23-22(24(33)31(25(30)34)15-18-7-5-6-8-20(18)26)28-21(29-23)14-17-9-11-19(12-10-17)27-16(2)32/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)",JHSHXKJSPVHPCJ-UHFFFAOYSA-N
DB02009,216863-66-0,L-756423,experimental,,,,,,L75,,,CHEMBL151663,50109714,,,5488192,CC(C)(C)NC(=O)[C@@H]1CN(CC2=CC3=C(O2)C=CC=C3)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)NC1[C@H](O)CC2=C1C=CC=C2,"InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36?/m1/s1",AOMZDQMIOCTPQP-CFSTZTOESA-N
DB02010,62996-74-1,Staurosporine,experimental,,,,,PA165109623,STU,,ZINC000003814434,CHEMBL388978,2579,,15738,44259,[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC,"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1",HKSZLNNOFSGOKW-FYTWVXJKSA-N
DB02011,63446-55-9,N-(Phosphonoacetyl)-L-Ornithine,experimental,,,,,,PAO,,,CHEMBL1160567,,,,124992,N[C@@H](CCCNC(=O)CP(O)(O)=O)C(O)=O,"InChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m0/s1",FCIHAQFHXJOLIF-YFKPBYRVSA-N
DB02013,,Iron azide hydrate,experimental,,,,,,FEA,,,,,,,50912718,O.[Fe].[Fe].[N-]=[N+]=[N-],InChI=1S/2Fe.N3.H2O/c;;1-3-2;/h;;;1H2/q;;-1;,RZHWLGRUSMSXRP-UHFFFAOYSA-N
DB02014,,"5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid",experimental,,,,,,234,,ZINC000002047375,CHEMBL117869,13990,,,447994,COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(C2=CC(=NO2)C(O)=O)=C(F)C=C1,"InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+",QKHWJUMLYAYZFS-ONEGZZNKSA-N
DB02015,4033-27-6,Dihydrofolic Acid,experimental,,,,,,DHF,,ZINC000004228265,CHEMBL46294,18044,,15633,135398604,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,"InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1",OZRNSSUDZOLUSN-LBPRGKRZSA-N
DB02016,161582-11-2,R048-8071,experimental,,,,,,R71,,ZINC000002563947,CHEMBL304858,50128065,,101064,1949,CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C,"InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3",CMYCCJYVZIMDFU-UHFFFAOYSA-N
DB02017,,Imidazole-Derived Cellobiose,experimental,,,,,,IDC,,ZINC000032307676,,,,,657137,[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)N3C=CN=C3[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10-,11-,12-,14+/m1/s1",CSXOUJBOYXGFCL-OFKZETBZSA-N
DB02018,,Amido Phenyl Pyruvic Acid,experimental,,,,,,APA,,ZINC000002574378,CHEMBL1231012,50010257,,,2138,NC(=N)C1=CC=C(CC(=O)C(O)=O)C=C1,"InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)",ZXBYWYQEQQBMBT-UHFFFAOYSA-N
DB02019,,Acetyl Dithranol,experimental,,,,,,ADL,,ZINC000006528316,CHEMBL321113,50059618,,,4471188,OC(=O)CC1=C(O)C2=C(CC3=C(C(O)=CC=C3)C2=O)C=C1,"InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19)",IXLRLZOYKJERRA-UHFFFAOYSA-N
DB02020,51411-04-2,Alrestatin,experimental,,,,,,ALR,,ZINC000003871501,CHEMBL63055,16415,,,2120,OC(=O)CN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23,"InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)",GCUCIFQCGJIRNT-UHFFFAOYSA-N
DB02021,136087-85-9,Fidarestat,experimental,,,,,,FID,,ZINC000003789766,CHEMBL84446,16512,ALDOS,,160024,NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)C2=C(O1)C=CC(F)=C2,"InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1",WAAPEIZFCHNLKK-UFBFGSQYSA-N
DB02022,73-67-6,4-Amino-5-Hydroxymethyl-2-Methylpyrimidine,experimental,,,,,,HMH,,ZINC000000895559,CHEMBL1233354,,,16892,777,CC1=NC=C(CO)C(N)=N1,"InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)",VUTBELPREDJDDH-UHFFFAOYSA-N
DB02023,127027-50-3,8-oxo-dGMP,experimental,,,,,,8OG,,,,,,63223,135488904,NC1=NC2=C(NC(=O)N2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1,"InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1",AQIVLFLYHYFRKU-VPENINKCSA-N
DB02024,501-52-0,3-phenylpropionic acid,experimental,,,,,,HCI,,ZINC000000154564,CHEMBL851,50304072,,28631,107,OC(=O)CCC1=CC=CC=C1,"InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",XMIIGOLPHOKFCH-UHFFFAOYSA-N
DB02025,32467-88-2,ACV tripeptide,experimental,,,,1551571,,ACV,,ZINC000003873037,CHEMBL70421,,,28496,448130,CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1",BYEIJZFKOAXBBV-ATZCPNFKSA-N
DB02026,,"Furo[2,3d]Pyrimidine Antifolate",experimental,,,,,,MOT,,,CHEMBL104829,50091145,,,158376,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(C)CC1=COC2=NC(N)=NC(N)=C12)C(O)=O,"InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)/t13-/m0/s1",WXINNGCGSCFUCR-ZDUSSCGKSA-N
DB02027,357965-98-1,N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine,experimental,,,,,,DP3,,ZINC000001662969,CHEMBL227937,50255304,,,656911,NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O,"InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1",RMSWBHUVFNFNIZ-ZETCQYMHSA-N
DB02028,,"(1R,2R,3S,4R,6S)-3,4,6-Trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-1,2-cyclohexanediyl bis[dihydrogen (phosphate)]",experimental,,,,,,IBS,,,,,,,5288599,OCC(=O)COP(O)(=O)OC1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C9H19O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h4-10,12-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t4-,5+,6+,7?,8-,9-/m1/s1",JBQPYAMQMBKZDT-WKBARDANSA-N
DB02029,,N-Cyclohexyl-N'-(4-Iodophenyl)Urea,experimental,,,,,,CIU,,ZINC000001003537,CHEMBL1231797,129304,,41480,4357,IC1=CC=C(NC(=O)NC2CCCCC2)C=C1,"InChI=1S/C13H17IN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)",AQTBUVAFYDVTFD-UHFFFAOYSA-N
DB02030,,Alpha-Ribazole-5'-Phosphate,experimental,,,,,,RBZ,,ZINC000005930819,,,,16837,444941,CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1",ZMRGXEJKZPRBPJ-SYQHCUMBSA-N
DB02031,135-16-0,"(6S)-5,6,7,8-tetrahydrofolic acid",experimental,,,,,,THG,,ZINC000004228237,,,,15635,135398650,NC1=NC2=C(N[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1",MSTNYGQPCMXVAQ-RYUDHWBXSA-N
DB02032,63250-36-2,Epicaptopril,experimental,,,,,,MCO,,ZINC000000057000,CHEMBL269634,,,,688267,C[C@@H](CS)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m0/s1",FAKRSMQSSFJEIM-BQBZGAKWSA-N
DB02033,,"N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide",experimental,,,,,,INU,,ZINC000003815654,,763,,,54687250,OC1=C([C@@H](C2CC2)C2=CC=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)C(=O)OC2=C1CCCCCC2,"InChI=1S/C27H29NO5S/c29-26-22-13-6-1-2-7-14-23(22)33-27(30)25(26)24(18-15-16-18)19-9-8-10-20(17-19)28-34(31,32)21-11-4-3-5-12-21/h3-5,8-12,17-18,24,28-29H,1-2,6-7,13-16H2/t24-/m0/s1",GDRNWAKVNIROCG-DEOSSOPVSA-N
DB02034,72741-87-8,Tridolgosir,experimental,16034517,,,,,SWA,,ZINC000003875041,CHEMBL371197,50168995,,9367,51683,[H][C@@]1(O)CN2CCC[C@@]([H])(O)[C@]2([H])[C@]1([H])O,"InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1",FXUAIOOAOAVCGD-WCTZXXKLSA-N
DB02035,86855-26-7,Hexadecanesulfonyl fluoride,experimental,,,,,,HSF,,,CHEMBL94809,50396293,,43275,3572,CCCCCCCCCCCCCCCCS(F)(=O)=O,"InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3",QIVFMUVBIHIZAM-UHFFFAOYSA-N
DB02036,,"2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide",experimental,,,,,,GNR,,ZINC000000126407,,,,,448475,[H][C@]1(CC(=O)NO)SC2=CC=CC=C2NC1=O,"InChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)/t8-/m1/s1",UKDWCJNGBPZOBU-MRVPVSSYSA-N
DB02037,102783-67-5,"2,5-Diaminopyrimidin-4,6-diol",experimental,,,,,,DDP,,ZINC000018156496,CHEMBL175083,50108010,,,2733981,NC1=NC(O)=C(N)C(O)=N1,"InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)",HWSJQFCTYLBBOF-UHFFFAOYSA-N
DB02038,,"D-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-N,O-cycloserylamide",experimental,,,,,,DCS,,ZINC000002043174,,,,,445005,CC1=NC=C(COP(O)(O)=O)C(CN[C@@H]2CONC2=O)=C1O,"InChI=1S/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1",NNRZSZJOQKAGTO-SECBINFHSA-N
DB02039,,S-Acetyl-Cysteine,experimental,,,,,,SCY,,,,,,,10130120,[H][C@](N)(CSC(C)=O)C(O)=O,"InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1",XCIRMLHOFVDUDP-BYPYZUCNSA-N
DB02041,,Isoluminol,experimental,,,,,,APZ,,ZINC000008581462,CHEMBL14882,50125767,,,95014,NC1=CC=C2C(=O)NNC(=O)C2=C1,"InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)",HUDPLKWXRLNSPC-UHFFFAOYSA-N
DB02042,,2-(2-{2-[2-(2-Methoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol,experimental,,,,,,1PG,,ZINC000005210101,CHEMBL1229767,,,,90255,COCCOCCOCCOCCOCCO,"InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3",SLNYBUIEAMRFSZ-UHFFFAOYSA-N
DB02043,,"1,2-Dipalmitoyl-Phosphatidyl-Glycerole",experimental,,,,,,LHG,,,CHEMBL2286758,,,60724,65144,CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)",BIABMEZBCHDPBV-UHFFFAOYSA-N
DB02044,,N-[3-(aminomethyl)benzyl]acetamidine,experimental,,,,,,14W,,ZINC000003870614,CHEMBL107251,50226527,,90721,1433,CC(=N)NCC1=CC(CN)=CC=C1,"InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)",RODUKNYOEVZQPR-UHFFFAOYSA-N
DB02045,110-58-7,Amylamine,experimental,,,,,,AML,,ZINC000001586308,,,,74848,8060,CCCCCN,"InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3",DPBLXKKOBLCELK-UHFFFAOYSA-N
DB02046,,N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid,experimental,,,,,,FLX,,ZINC000024985889,,,,,449500,[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(=O)N[C@@]([H])(CC1=CNC2=C1C=CC=C2)P(O)(O)=O,"InChI=1S/C21H26N3O6P/c1-13(2)10-17(23-21(26)18-8-5-9-30-18)20(25)24-19(31(27,28)29)11-14-12-22-16-7-4-3-6-15(14)16/h3-9,12-13,17,19,22H,10-11H2,1-2H3,(H,23,26)(H,24,25)(H2,27,28,29)/t17-,19+/m0/s1",WHPKSASOSKNDPY-PKOBYXMFSA-N
DB02047,10532-14-6,(+)-2-(4-biphenyl)propionic acid,experimental,,,,,,BFL,,ZINC000000000361,,,,,448006,C[C@H](C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1",JALUUBQFLPUJMY-NSHDSACASA-N
DB02048,,"1,2,4-Triazole-Carboxamidine",experimental,,,,,,TZC,,ZINC000162503468,,,,,3387240,NC(=[NH2+])N1C=NC=N1,"InChI=1S/C3H5N5/c4-3(5)8-2-6-1-7-8/h1-2H,(H3,4,5)/p+1",CDIOIIJXUJXYPB-UHFFFAOYSA-O
DB02049,,2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide,experimental,,,,,,CBP,,ZINC000003821624,CHEMBL93687,50146636,,,5111,ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)",QOPFTBAEAJQKSY-UHFFFAOYSA-N
DB02051,,4-Nitrophenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenyl-1-pentanesulfonate,experimental,,,,,,VS3,,ZINC000024531121,,,,,5289561,[H]N([C@@H](CC1=CC=CC=C1)C(=O)N([H])[C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCC1=CC=CC=C1,"InChI=1S/C34H35N3O8S/c38-33(32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-14-8-3-9-15-28)35-29(17-16-26-10-4-1-5-11-26)22-23-46(42,43)45-31-20-18-30(19-21-31)37(40)41/h1-15,18-21,29,32H,16-17,22-25H2,(H,35,38)(H,36,39)/t29-,32-/m0/s1",WABCRPSWXFHXDH-NYDCQLBNSA-N
DB02052,,Indirubin-3'-monoxime,experimental,,,,,,IXM,,ZINC000100001998,CHEMBL216543,50166289,,43645,,O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2,"InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+",HBDSHCUSXQATPO-BGBJRWHRSA-N
DB02053,4151-19-3,Ribose-5-phosphate,experimental,,,,,,R52,,ZINC000022116391,,,,17797,77982,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@@]([H])(O)C=O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1",PPQRONHOSHZGFQ-LMVFSUKVSA-N
DB02054,87980-11-8,Gabaculine,experimental,,,,,,GAB,,ZINC000000388179,CHEMBL307782,50226518,,42682,7419,NC1=CC=CC(=C1)C(O)=O,"InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)",XFDUHJPVQKIXHO-UHFFFAOYSA-N
DB02055,3622-84-2,N-Butyl-Benzenesulfonamide,experimental,,,,,,NBB,,ZINC000001666831,CHEMBL479880,,,44237,19241,CCCCNS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3",IPRJXAGUEGOFGG-UHFFFAOYSA-N
DB02056,41598-07-6,Prostaglandin D2,investigational,,,,,,PG2,,ZINC000085994848,CHEMBL1235252,21544,,15555,448457,[H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1",BHMBVRSPMRCCGG-OUTUXVNYSA-N
DB02057,83643-88-3,(S)-AMPA,experimental,,,,,,AMQ,,ZINC000002047472,CHEMBL276815,17662,,,7000183,CC1=C(C[C@H](N)C(O)=O)C(O)=NO1,"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1",UUDAMDVQRQNNHZ-YFKPBYRVSA-N
DB02058,,3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone,experimental,,,,,,SU2,,,,,,,1633,[H]N1C(=O)C(CC2=CC=C(C=C2)N2CCN(CC2)C=O)C2=CC=CC=C12,"InChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25)",AZGZGRJOCKSSHA-UHFFFAOYSA-N
DB02059,,Adenosine-5-Diphosphoribose,experimental,,,,,,AR6,,ZINC000014880207,,,,191408,447048,NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1",SRNWOUGRCWSEMX-ZQSHOCFMSA-N
DB02060,108-94-1,Cyclohexanone,experimental,,,,2362166,,CYH,,ZINC000004528575,CHEMBL18850,6,,17854,7967,O=C1CCCCC1,InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2,JHIVVAPYMSGYDF-UHFFFAOYSA-N
DB02061,528-50-7,Cellobiose,experimental,,,,,,,,,,,,17057,439178,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1",GUBGYTABKSRVRQ-CUHNMECISA-N
DB02062,,"N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine",experimental,,,,,,BIR,,ZINC000012080871,,,,,5478838,[H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O,"InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15+,19+/m0/s1",CWJPVKSBGVPXRD-QMTMVMCOSA-N
DB02063,,CRA_16847,experimental,,,,,,847,,,,14339,,,131704187,[H][C@](CC([O-])=O)(C(O)=O)C1=CC(C2=NC3=C(N2)C=C(C=C3)C(N)=N)=C([O-])C(Br)=C1,"InChI=1S/C18H15BrN4O5/c19-11-4-8(9(18(27)28)6-14(24)25)3-10(15(11)26)17-22-12-2-1-7(16(20)21)5-13(12)23-17/h1-5,9,26H,6H2,(H3,20,21)(H,22,23)(H,24,25)(H,27,28)/p-2/t9-/m1/s1",SJMNJNRKVVVGRB-SECBINFHSA-L
DB02065,,4-Deoxylactose,experimental,,,,,,,,ZINC000005851340,,,,,445801,[H][C@@]1(CO)C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)O1,"InChI=1S/C12H22O10/c13-2-4-1-5(15)7(16)12(20-4)22-10-6(3-14)21-11(19)9(18)8(10)17/h4-19H,1-3H2/t4-,5-,6+,7+,8+,9+,10+,11+,12-/m0/s1",DSYGIMVFFQCOQZ-KYYLAPRMSA-N
DB02066,,N7-Methyl-Formycin A,experimental,,,,,,FM1,,ZINC000005888080,,,,42575,446659,[H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(NC)C3=NN2)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1",JRRNRCMIBCSOIH-LFAOKBQASA-N
DB02067,,Triglu-5-formyl-tetrahydrofolate,experimental,,,,,,TGF,,ZINC000055398661,CHEMBL1236268,,,,135403827,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2C=O)N1[H],"InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1",ZLOMJLIQXBKNHU-VJANTYMQSA-N
DB02068,,Delta-Amino Valeric Acid,experimental,,,,,,DAV,,,,,,,449593,[NH3+]CCCCC(O)=O,"InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)/p+1",JJMDCOVWQOJGCB-UHFFFAOYSA-O
DB02069,,N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide,experimental,,,,,,FSB,,,,12014,,,4290,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1F,"InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)",ULYMHSXFSKOHGH-UHFFFAOYSA-N
DB02070,2922-83-0,Kynurenine,experimental,,,,,,KYN,,ZINC000000895186,CHEMBL498416,50506041,,16946,161166,N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",YGPSJZOEDVAXAB-QMMMGPOBSA-N
DB02071,,WAY-151693,experimental,,,,,,WAY,,ZINC000000602968,CHEMBL70176,50096463,,,4368,COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)C1=C(C=CC=C1C)C(=O)NO,"InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)",AINJYWXKBKRQSX-UHFFFAOYSA-N
DB02072,,"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid",experimental,,,,,,COL,,ZINC000003591081,CHEMBL139423,50118787,,,1521,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CSCC2)S1,"InChI=1S/C10H9NO5S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)",ZPDVRWNOCOREGF-UHFFFAOYSA-N
DB02073,114-25-0,Biliverdine IX Alpha,experimental,,,,,,BLA,,ZINC000053276076,CHEMBL455477,,,17033,,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O,"InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-",QBUVFDKTZJNUPP-BBROENKCSA-N
DB02074,107-93-7,Butenoic Acid,experimental,,,,,,BEO,,ZINC000000901132,CHEMBL1213528,50427207,,41131,637090,C\C=C\C(O)=O,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+",LDHQCZJRKDOVOX-NSCUHMNNSA-N
DB02075,,"[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-pyrrolidinyl]methyl dihydrogen phosphate",experimental,,,,,,IRP,,ZINC000015479974,CHEMBL1233663,,,,135509110,[H]N1C=C([C@@H]2N([H])[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H],"InChI=1S/C11H15N4O7P/c16-9-5(2-22-23(19,20)21)15-7(10(9)17)4-1-12-8-6(4)13-3-14-11(8)18/h1,3,5,7,9-10,12,15-17H,2H2,(H,13,14,18)(H2,19,20,21)/t5-,7+,9-,10+/m1/s1",VJTAXXUIRYOXBT-KUBHLMPHSA-N
DB02076,921-62-0,6-phospho-D-gluconic acid,experimental,,,,,,6PG,,ZINC000001532623,CHEMBL1230513,50045357,,48928,91493,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1",BIRSGZKFKXLSJQ-SQOUGZDYSA-N
DB02077,,L-N(omega)-nitroarginine-(4R)-amino-L-proline amide,experimental,,,,,,DP9,,ZINC000013531446,CHEMBL228077,50072408,,,155293240,N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O,"InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1",IUFRDGFKAVLPFZ-CSMHCCOUSA-N
DB02078,112-49-2,Triglyme,experimental,,,,,,PG5,,ZINC000001693863,CHEMBL1235255,,,44842,8189,COCCOCCOCCOC,"InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3",YFNKIDBQEZZDLK-UHFFFAOYSA-N
DB02079,645-88-5,Aminooxyacetic acid,experimental,,,,,,AOA,,ZINC000004689151,CHEMBL347862,,,40823,286,NOCC(O)=O,"InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)",NQRKYASMKDDGHT-UHFFFAOYSA-N
DB02080,,"1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene",experimental,,,,,,TRT,,ZINC000005885272,,,,,446308,COCCOCCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C,"InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3",HEUDUECKTWTQQR-UHFFFAOYSA-N
DB02081,,Bis-Benzamidine,experimental,,,,,,BBA,,ZINC000012501570,,,,,17753851,[H][C@@]1(CC2=CC=C(C=C2)C(N)=N)CCCC[C@@]([H])(CC2=CC=C(C=C2)C(N)=N)C1=O,"InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1",BXYGSMRTHHSAHZ-PMACEKPBSA-N
DB02082,34273-04-6,Phosphoaminophosphonic acid guanylate ester,experimental,,,,,,GNP,,ZINC000037868676,CHEMBL1233085,85784,,78408,135403657,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1",UQABYHGXWYXDTK-UUOKFMHZSA-N
DB02083,1118-68-9,"N,N-dimethylglycine",experimental,,,,1313173,,DMG,,ZINC000000895466,CHEMBL1232274,,,17724,673,CN(C)CC(O)=O,"InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)",FFDGPVCHZBVARC-UHFFFAOYSA-N
DB02084,,CRA_17312,experimental,,,,,,312,,,,14341,,,135559086,[H][C@](CC([O-])=O)(C(O)=O)C1=CC(=C([O-])C(=C1)C1=NC2=C(N1)C=C(C=C2)C(N)=N)C1=CC=CC=C1OC,"InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1",HVNXYZZCSQONQC-OAHLLOKOSA-L
DB02085,22059-21-8,1-Aminocyclopropanecarboxylic Acid,experimental,,,,,,1AC,,ZINC000000895536,CHEMBL265325,,,18053,535,NC1(CC1)C(O)=O,"InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)",PAJPWUMXBYXFCZ-UHFFFAOYSA-N
DB02086,,"(3,4-Dihydroxy-Phenyl)-Triphenyl-Arsonium",experimental,,,,,,TTO,,,,,,30287,5460502,OC1=CC=C(C=C1O)[As+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1",AYGYLFIDAXGERM-UHFFFAOYSA-O
DB02087,,"3,5-Difluorobenzenesulfonamide",experimental,,,,,,FBU,,ZINC000002576766,,,,42566,446275,NS(=O)(=O)C1=CC(F)=CC(F)=C1,"InChI=1S/C6H5F2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)",MKQPOVUFDWKPNO-UHFFFAOYSA-N
DB02088,,Norleucine Phosphonate,experimental,,,,,,NLP,,ZINC000002047313,,,,,444720,CCCC[C@H](N)P(O)(O)=O,"InChI=1S/C5H14NO3P/c1-2-3-4-5(6)10(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m1/s1",NXTPDFMZKSLVRK-RXMQYKEDSA-N
DB02089,,CP-526423,experimental,,,,,,CP4,,ZINC000012501572,CHEMBL434025,50149207,,,445383,ClC1=CC2=C(NC(=C2)C(=O)NCCOCCOCCNC(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C=C1,"InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32)",MWWXABBBAPKJDX-UHFFFAOYSA-N
DB02090,,A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor,experimental,,,,,,S80,,ZINC000033821511,,,,,17754156,[H][C@@](CCCO)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@@]1([H])CCCCN(CCOC)C1=O,"InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,17-/m0/s1",JLEGVELHGVWFGG-BBWFWOEESA-N
DB02091,,"4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine",experimental,,,,,,CK2,,ZINC000000141286,CHEMBL47302,8037,,,447956,CC1=NC(C)=C(S1)C1=NC(N)=NC=C1,"InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)",CTFDMGIBHFQWKB-UHFFFAOYSA-N
DB02092,604-33-1,Cholesteryl Linoleate,experimental,,,,,,CLL,,ZINC000059660734,,,,41509,5287939,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,"InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",NAACPBBQTFFYQB-LJAITQKLSA-N
DB02093,,5-phospho-D-arabinohydroxamic acid,experimental,,,,,,PAN,,ZINC000005830355,CHEMBL1235136,50342610,,,446761,[H]N(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1",OHQFMJPEBPCIEQ-JJYYJPOSSA-N
DB02094,,N-2-Thiophen-2-Yl-Acetamide Boronic Acid,experimental,,,,,,CTB,,,CHEMBL320049,50115621,,,2671,OB(O)CNC(=O)CC1=CC=CS1,"InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)",VXAPSUDMBNWYNC-UHFFFAOYSA-N
DB02095,91-56-5,Isatin,experimental,,,,,,ISN,,ZINC000002047514,CHEMBL326294,11022,,27539,7054,O=C1NC2=CC=CC=C2C1=O,"InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)",JXDYKVIHCLTXOP-UHFFFAOYSA-N
DB02096,256461-28-6,FR221647,experimental,,,,,,FR2,,,CHEMBL329433,,,,447340,[H][C@](CO)(CCC1=CC=CC=C1)N1C=NC(=C1)C(N)=O,"InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)/t12-/m1/s1",ZUYUIKKHHBEVHL-GFCCVEGCSA-N
DB02097,65-46-3,Cytidine,experimental,,,D07769,,,CTN,,ZINC000002583632,CHEMBL95606,,CYTIDINE,17562,6175,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1",UHDGCWIWMRVCDJ-XVFCMESISA-N
DB02098,,Adenosine-2'-5'-Diphosphate,experimental,,,,,,A2P,,ZINC000004096223,CHEMBL1161861,11941,,,440141,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1",AEOBEOJCBAYXBA-KQYNXXCUSA-N
DB02099,,S-azabisabolene,experimental,,,,,,SAZ,,,,,,,5289326,C[N@H+](CCC=C(C)C)[C@@H]1CCC(C)=CC1,"InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1",GGPFTSMJRHEOJG-AWEZNQCLSA-O
DB02100,34004-14-3,Methyl alpha-galactoside,experimental,,,,,,AMG,,ZINC000004262102,CHEMBL467773,50034081,,55507,76935,CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1",HOVAGTYPODGVJG-PZRMXXKTSA-N
DB02101,,"(S,R)-fidarestat",experimental,,,,,,FIS,,ZINC000000002486,CHEMBL189464,50151407,,,449157,[H]N([H])C(=O)[C@@H]1C[C@@]2(N([H])C(=O)N([H])C2=O)C2=C(O1)C=CC(F)=C2,"InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m0/s1",WAAPEIZFCHNLKK-QPUJVOFHSA-N
DB02102,174391-92-5,Mozenavir,experimental,,,,,,DMQ,,ZINC000003831996,CHEMBL223824,151,,,154044,NC1=CC(CN2[C@H](CC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H](CC3=CC=CC=C3)N(CC3=CC(N)=CC=C3)C2=O)=CC=C1,"InChI=1S/C33H36N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1",KYRSNWPSSXSNEP-ZRTHHSRSSA-N
DB02103,114849-58-0,2-Chlorodideoxyadenosine,experimental,,,,,,CDY,,ZINC000001614293,,,,,72194,[H][C@@]1(CO)CC[C@@]([H])(O1)N1C=NC2=C1N=C(Cl)N=C2N,"InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1",FNLILOONPKMGST-NTSWFWBYSA-N
DB02104,,"2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine",experimental,,,,,,CO4,,ZINC000012501589,CHEMBL50514,50029766,,,447815,COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1,"InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)",PEGMMEYCSOZKIT-UHFFFAOYSA-N
DB02105,7659-29-2,"3,5-Dinitrocatechol",experimental,,,,,,DNC,,ZINC000002170217,CHEMBL168276,50017846,,,3870203,OC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H",VDCDWNDTNSWDFJ-UHFFFAOYSA-N
DB02106,,"[3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid",experimental,,,,,,442,,,,,,,5287509,OC(O)CC1=CC(Br)=C(OC2=CC(C(O)NCCC3=CC=CC=C3)=C(O)C=C2)C(Br)=C1,"InChI=1S/C23H23Br2NO5/c24-18-10-15(12-21(28)29)11-19(25)22(18)31-16-6-7-20(27)17(13-16)23(30)26-9-8-14-4-2-1-3-5-14/h1-7,10-11,13,21,23,26-30H,8-9,12H2",KIRQJXNQGZAKGR-UHFFFAOYSA-N
DB02107,,Leucine - Reduced Carbonyl,experimental,,,,,,,,ZINC000002041095,,,,,642324,CC(C)C[C@@H](C)N,"InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3/t6-/m1/s1",UNBMPKNTYKDYCG-ZCFIWIBFSA-N
DB02108,,2-Aminoethanimidic Acid,experimental,,,,,,AEM,,,,,,,,[H]N=C([H])CN,"InChI=1S/C2H6N2/c3-1-2-4/h1,3H,2,4H2/b3-1+",AXQVKDQRBAXYBP-HNQUOIGGSA-N
DB02109,689-13-4,Hadacidin,experimental,,,,,,HDA,,ZINC000001482078,CHEMBL331373,50149248,,43040,12717,ON(CC(O)=O)C=O,"InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)",URJHVPKUWOUENU-UHFFFAOYSA-N
DB02110,,Protoporphyrin Ix Containing Co,experimental,,,,,,COH,,,,,,,,CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5N6C(=CC7=C(C=C)C(C)=C8C=C1N2[Co]6(N34)N78)C(C)=C5C=C,"InChI=1S/C34H32N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",LUAOCUVKTZELFQ-RGGAHWMASA-N
DB02111,,3-hydroxyisoxazole-4-carboxylic acid,experimental,,,,,,GAG,,,CHEMBL1232960,23242,,,448651,OC(=O)C1=CON=C1O,"InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)",JLPHBZYAQYOJND-UHFFFAOYSA-N
DB02112,,Zk-806450,experimental,,,,,,806,,ZINC000009998610,CHEMBL369251,17281,,,448062,CC(=N)N1CCC(CC1)OC1=CC=C2C(=C1)N(CC1=CC=C3C=CC(=CC3=C1)C(N)=N)C1=C2C=CC=C1,"InChI=1S/C31H31N5O/c1-20(32)35-14-12-25(13-15-35)37-26-10-11-28-27-4-2-3-5-29(27)36(30(28)18-26)19-21-6-7-22-8-9-23(31(33)34)17-24(22)16-21/h2-11,16-18,25,32H,12-15,19H2,1H3,(H3,33,34)",DZLGSWPXZYDHBD-UHFFFAOYSA-N
DB02113,2004-03-7,6-Methylpurine,experimental,,,,,,6MP,,ZINC000014593164,CHEMBL293405,92423,,40274,5287547,CC1=C2NC=NC2=NC=N1,"InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)",SYMHUEFSSMBHJA-UHFFFAOYSA-N
DB02114,99-88-7,Cumidine,experimental,,,,,,ISO,,ZINC000001683362,,,,43405,7464,CC(C)C1=CC=C(N)C=C1,"InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3",LRTFPLFDLJYEKT-UHFFFAOYSA-N
DB02115,552-66-9,Daidzin,experimental,,,,,,DZN,,ZINC000004098610,CHEMBL486422,50409029,,42202,107971,[H][C@]1(CO)O[C@@]([H])(OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1",KYQZWONCHDNPDP-QNDFHXLGSA-N
DB02116,101622-51-9,Olomoucine,experimental,,,,,,OLO,,ZINC000001641925,CHEMBL280074,5718,,44661,4592,CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1,"InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)",GTVPOLSIJWJJNY-UHFFFAOYSA-N
DB02118,35580-46-2,CP-271485,experimental,,,,,,CP8,,,,,,,448940,[H][C@@]1(CN(CC2=CC=CC=C2)C(=O)CO1)C1=CC2=C(C=C1)N(C)S(=O)(=O)C2,"InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1",CIUMOGWIMXNXSQ-GOSISDBHSA-N
DB02119,3672-03-5,"6-Hydroxymethyl-7,8-Dihydropterin",experimental,,,,,,PH2,,,CHEMBL1233322,,,17083,135398568,NC1=NC2=C(N=C(CO)CN2)C(=O)N1,"InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)",CQQNNQTXUGLUEV-UHFFFAOYSA-N
DB02120,38231-86-6,"6-Amino-4-Hydroxymethyl-Cyclohex-4-Ene-1,2,3-Triol",experimental,,,,,,ACI,,ZINC000005413017,CHEMBL1230806,50366472,,,193758,[H][C@]1(N)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1",XPHOBMULWMGEBA-VZFHVOOUSA-N
DB02121,541-35-5,Butyramide,experimental,,,,,,BMD,,ZINC000001586734,CHEMBL1231396,,,50724,10927,CCCC(N)=O,"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)",DNSISZSEWVHGLH-UHFFFAOYSA-N
DB02122,,4-iodo-acetamido phenylboronic acid,experimental,,,,,,IAP,,,,,,,4634714,OB(O)C1=CC=CC(NC(=O)CI)=C1,"InChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12)",LMHXPDZPXBIIEX-UHFFFAOYSA-N
DB02123,640-79-9,Glycochenodeoxycholic Acid,experimental,,,,,,CHO,,ZINC000003914812,CHEMBL1552,50375590,,36274,12544,C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1",GHCZAUBVMUEKKP-GYPHWSFCSA-N
DB02124,,"(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid",experimental,,,,,,HHA,,ZINC000005835424,CHEMBL1233316,,,60849,448825,[H][C@]1(O)C=CC=C(C(O)=O)[C@]1([H])N,"InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1",XBTXTLKLSHACSS-WDSKDSINSA-N
DB02125,700-58-3,Adamantanone,experimental,,,,,,ADO,,,,,,,,O=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2,"InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+",IYKFYARMMIESOX-SPJNRGJMSA-N
DB02126,,4-Carboxycinnamic Acid,experimental,,,,,,CIN,,ZINC000000074762,,,,,697959,OC(=O)\C=C\C1=CC=C(C=C1)C(O)=O,"InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+",HAEJSGLKJYIYTB-ZZXKWVIFSA-N
DB02127,1445-75-6,Diisopropyl methylphosphonate,experimental,,,,,,DII,,ZINC000002039561,CHEMBL1232236,,,77325,3073,CC(C)OP(C)(=O)OC(C)C,"InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3",WOAFDHWYKSOANX-UHFFFAOYSA-N
DB02128,,[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester,experimental,,,,,,P10,,ZINC000012501625,,,,,5289091,[H]N([C@@H](CC1=CC=CC=C1)C(=O)N([H])[C@@H](CCC1=CC=CC=C1)C(=O)CO)C(=O)OCC1=CN=CC=C1,"InChI=1S/C27H29N3O5/c31-18-25(32)23(14-13-20-8-3-1-4-9-20)29-26(33)24(16-21-10-5-2-6-11-21)30-27(34)35-19-22-12-7-15-28-17-22/h1-12,15,17,23-24,31H,13-14,16,18-19H2,(H,29,33)(H,30,34)/t23-,24-/m0/s1",QCUBCTPTNWPFBC-ZEQRLZLVSA-N
DB02129,155-54-4,Dihydroorotic Acid,experimental,,,,,,DOR,,ZINC000003869850,,,,17025,439216,OC(=O)[C@@H]1CC(=O)NC(=O)N1,"InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1",UFIVEPVSAGBUSI-REOHCLBHSA-N
DB02130,121-34-6,Vanillic acid,experimental,,,,,,VNL,,,,,,16632,54675858,COC1=CC(=CC=C1O)C([O-])=O,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1",WKOLLVMJNQIZCI-UHFFFAOYSA-M
DB02131,,N-1-methylheptylformamide,experimental,,,,,,FXY,,,,,,,5478865,[H]N(C=O)[C@H](C)CCCCCC,"InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)/t9-/m1/s1",YWFHDUFNGSJLTL-SECBINFHSA-N
DB02132,112733-06-9,Zenarestat,experimental,17943821,,,,,ZES,,ZINC000000596737,CHEMBL10413,16496,,,5724,OC(=O)CN1C(=O)N(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=C(Cl)C=C2,"InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)",SXONDGSPUVNZLO-UHFFFAOYSA-N
DB02133,479-61-8,Chlorophyll A,experimental,,,,,,CLA,,,,,,18230,16667503,[Mg++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C3=C([N-]1)\C([C@@H](C(=O)OC)C3=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)[C@@H](C)[C@@H]1CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,"InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1",ATNHDLDRLWWWCB-AENOIHSZSA-M
DB02134,69-89-6,Xanthine,experimental,,,,1311085,,XAN,,ZINC000013517187,CHEMBL1424,50227193,,17712,1188,O=C1NC2=C(NC=N2)C(=O)N1,"InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",LRFVTYWOQMYALW-UHFFFAOYSA-N
DB02135,,"1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol",experimental,,,,,,TS1,,ZINC000032304142,,,,,657027,[H]N1C2=C(N(CCCCOP(O)(O)=O)C(=O)N2C[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N([H])C1=O,"InChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8-,10+/m1/s1",VBXZSBKAJFXURR-MRTMQBJTSA-N
DB02136,,Cephalosporin analog,experimental,,,,,,CEH,,ZINC000150342633,,,,,17753890,[H][C@]1(NC(C(O)=O)=C(CC[C@H](NC(=O)CC[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(O)=O)CS1)[C@H](NC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C32H42N6O13S/c1-15(26(42)34-16(2)29(44)45)33-27(43)20(36-22(40)12-11-21(30(46)47)35-17(3)39)10-9-19-14-52-28(38-24(19)31(48)49)25(32(50)51)37-23(41)13-18-7-5-4-6-8-18/h4-8,15-16,20-21,25,28,38H,9-14H2,1-3H3,(H,33,43)(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t15-,16-,20+,21-,25+,28-/m1/s1",PEUIVMLYMKXUBF-PULJXETJSA-N
DB02137,872689-63-9,Molybdenum cofactor,experimental,,,,,,PCD,,,,,,71302,139031608,O=[Mo++]=O.NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@H](COP([O-])([O-])=O)C([S-])=C3[S-])C(=O)N1,"InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-4/t2-,3+,9-;;;/m1.../s1",HDAJUGGARUFROU-JSUDGWJLSA-J
DB02138,3762-25-2,Diethyl 4-Methylbenzylphosphonate,experimental,,,,,,EBP,,ZINC000002046934,,,,,3050,CCOP(=O)(CC1=CC=C(C)C=C1)OCC,"InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3",QKGBKPZAXXBLJE-UHFFFAOYSA-N
DB02139,,(2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine,experimental,,,,,,R04,,ZINC000003581378,CHEMBL65730,50128067,,,445990,CN(CC=C)C\C=C\COC1=CC2=C(C=C1F)C(=NN2C)C1=CC=C(Br)C=C1,"InChI=1S/C22H23BrFN3O/c1-4-11-26(2)12-5-6-13-28-21-15-20-18(14-19(21)24)22(25-27(20)3)16-7-9-17(23)10-8-16/h4-10,14-15H,1,11-13H2,2-3H3/b6-5+",YDWPQZUWZDRRSE-AATRIKPKSA-N
DB02140,,N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide,experimental,,,,,,C48,,ZINC000003872096,,,,,5287869,[H][C@@](CC1=CC=CC=C1)(NC(=O)C(=O)CC(=O)NCCC1=NC=CC=C1)C(=O)N(C)C,"InChI=1S/C22H26N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-/m0/s1",ZPFPZRVOBBMZMP-SFHVURJKSA-N
DB02141,,"S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea",experimental,,,,,,4BT,,ZINC000003806238,CHEMBL444422,50271882,,,1337,NC(=N)SCCC1=CC=C(CCSC(N)=N)C=C1,"InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16)",FZWGDUUJDZCYJR-UHFFFAOYSA-N
DB02142,529-96-4,Pyridoxamine-5'-Phosphate,experimental,,,,,,PMP,,ZINC000001532708,CHEMBL1235353,,,18335,1053,CC1=NC=C(COP(O)(O)=O)C(CN)=C1O,"InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)",ZMJGSOSNSPKHNH-UHFFFAOYSA-N
DB02143,478806-77-8,1-hydroxy-2-isopropylguanidine,experimental,,,,,,IHG,,ZINC000013535998,CHEMBL72434,,,,447029,CC(C)\N=C(/N)NO,"InChI=1S/C4H11N3O/c1-3(2)6-4(5)7-8/h3,8H,1-2H3,(H3,5,6,7)",OITVEDMMUMUWTL-UHFFFAOYSA-N
DB02144,,"1,2-diacyl-sn-glycero-3-phosphoinositol",experimental,,,,,,PIE,,,,,,,,[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/p-1/b18-17+/t35-,38-,39-,40+,41-,42-,43-/m1/s1",PDLAMJKMOKWLAJ-OJERQSHOSA-M
DB02145,71-36-3,Butyl alcohol,experimental,,,D03200,1310579,,1BO,,ZINC000001530354,CHEMBL14245,36173,1-BUTANOL,28885,263,CCCCO,"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",LRHPLDYGYMQRHN-UHFFFAOYSA-N
DB02146,24429-05-8,Glutathione S-atrazine,experimental,,,,,,ATA,,ZINC000012501645,,,,,5287712,CCNC1=NC(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)=NC(NC(C)C)=N1,"InChI=1S/C18H30N8O6S/c1-4-20-16-24-17(22-9(2)3)26-18(25-16)33-8-11(14(30)21-7-13(28)29)23-12(27)6-5-10(19)15(31)32/h9-11H,4-8,19H2,1-3H3,(H,21,30)(H,23,27)(H,28,29)(H,31,32)(H2,20,22,24,25,26)/t10-,11-/m0/s1",WDLCRTLULMGVMR-QWRGUYRKSA-N
DB02147,,Cyclo-Tetrametavanadate,experimental,,,,,,V4O,,,,,,46272,3393379,[O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1,InChI=1S/12O.4V/q;;;;;;;;4*-1;;;;,ACTPEXQBEHJTBO-UHFFFAOYSA-N
DB02148,,3-Amino-4-Oxybenzyl-2-Butanone,experimental,,,,,,SEM,,ZINC000053683501,CHEMBL1235900,,,,5289348,CC(=O)[C@@H](N)COCC1=CC=CC=C1,"InChI=1S/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1",ISLRAQPEXPIKDJ-NSHDSACASA-N
DB02151,,Methionine Phosphonate,experimental,,,,,,MPH,,,,,,,444719,CSCC[C@H](N)P(O)(O)=O,"InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1",XKCSXHUCPYVQIW-SCSAIBSYSA-N
DB02152,97161-97-2,K-252a,experimental,,,,,,KSA,,ZINC000003872984,CHEMBL281948,,,43616,3035817,[H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13,"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1",KOZFSFOOLUUIGY-SOLYNIJKSA-N
DB02153,1115-65-7,3-sulfino-L-alanine,experimental,,,,,,CSD,,ZINC000019419008,CHEMBL1160508,,,16345,28167170,N[C@@H](C[S@@](O)=O)C(O)=O,"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1",ADVPTQAUNPRNPO-REOHCLBHSA-N
DB02154,,"2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid",experimental,,,,,,BDS,,ZINC000012501665,CHEMBL1231277,50488264,,,5496628,[H][C@@](CC1=CC=C2OCOC2=C1)(C(O)=O)[C@]([H])(CC1=CC=C2OCOC2=C1)C(O)=O,"InChI=1S/C20H18O8/c21-19(22)13(5-11-1-3-15-17(7-11)27-9-25-15)14(20(23)24)6-12-2-4-16-18(8-12)28-10-26-16/h1-4,7-8,13-14H,5-6,9-10H2,(H,21,22)(H,23,24)/t13-,14-/m0/s1",FFYBYVPVYLMLAR-KBPBESRZSA-N
DB02155,,3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate,experimental,,,,,,B8L,,ZINC000034285255,,,,,448327,[H]N([C@@H]1CN([H])CCC[C@H]1OC(=O)C1=CC=C(C=C1)C(=O)C1=C(O)C=CC(OC)=C1)C(=O)C1=CC([C@@H](C)CC)=C(O)C=C1,"InChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)/t19-,26+,29+/m0/s1",XVLMXAUKCDSMMW-YXLARRHKSA-N
DB02156,98022-26-5,Sulfopyruvate,experimental,,,,,,SPV,,ZINC000004096823,,223201,,16894,440717,OC(=O)C(=O)CS(O)(=O)=O,"InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)",BUTHMSUEBYPMKJ-UHFFFAOYSA-N
DB02158,,"(2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol",experimental,,,,,,MTM,,,,,,,131704191,CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2N,"InChI=1S/C12H19N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-12,14,17-19H,3,13H2,1H3,(H,15,16)/t6-,8+,10-,11+,12?/m1/s1",YLCQGEBEQIBOOJ-BOFBLULFSA-N
DB02159,4254-14-2,(R)-Propylene glycol,experimental,,,,1314303,,PGR,,ZINC000000895318,,,,28972,259994,C[C@@H](O)CO,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1",DNIAPMSPPWPWGF-GSVOUGTGSA-N
DB02160,,S-Butyryl-Cystein,experimental,,,,,,CY4,,ZINC000006777921,,,,,17753929,[H][C@](N)(CSC(=O)CCC)C(O)=O,"InChI=1S/C7H13NO3S/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1",QARMATOLSBVIJD-YFKPBYRVSA-N
DB02161,,Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester,experimental,,,,,,HTQ,,ZINC000101317194,,,,,,[H][C@](O)(C(=O)O[C@@]1([H])C[C@]2([H])CC[C@]([H])(C1)N2C)C1=CC=CC=C1,"InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14-,15-/m1/s1",ZTVIKZXZYLEVOL-LXTVHRRPSA-N
DB02162,,5'-O-(N-Ethyl-Sulfamoyl)Adenosine,experimental,,,,,,5AS,,ZINC000016051419,,,,,17753791,[H][C@]1(COS(=O)(=O)NCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C12H18N6O6S/c1-2-17-25(21,22)23-3-6-8(19)9(20)12(24-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,17,19-20H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1",ONCSLXAPOGUODU-WOUKDFQISA-N
DB02163,95-78-3,"2,5-Xylidine",experimental,,,,,,XYD,,ZINC000003860836,CHEMBL249120,,,518305,7259,CC1=CC=C(C)C(N)=C1,"InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3",VOWZNBNDMFLQGM-UHFFFAOYSA-N
DB02164,,N-sulfo-flavin mononucleotide,experimental,,,,,,FNS,,,,,,,5288230,[H]N1C(=O)N=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C3=C(C=C(C)C(C)=C3)[N+](=C2C1=O)S([O-])(=O)=O,"InChI=1S/C17H21N4O12PS/c1-7-3-9-10(4-8(7)2)21(35(30,31)32)13-15(18-17(26)19-16(13)25)20(9)5-11(22)14(24)12(23)6-33-34(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H3-,19,25,26,27,28,29,30,31,32)/t11-,12+,14-/m0/s1",ZLPUGFBBLGQWBS-SCRDCRAPSA-N
DB02165,,Zinc trihydroxide,experimental,,,,,,,,,,,,,6102341,[Zn].[H]O[H].[H]O[H].[H]O[H],InChI=1S/3H2O.Zn/h3*1H2;,JKKHGFKPEJPPQG-UHFFFAOYSA-N
DB02166,36015-30-2,Propidium,experimental,,,,,,PRM,,ZINC000000622264,CHEMBL332935,31904,,51246,4939,CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2,"InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1",ZDWVWKDAWBGPDN-UHFFFAOYSA-O
DB02167,,"N,N-Dimethyl-L-Alanine",experimental,,,,,,LAL,,ZINC000004829414,,,,77042,5488191,[H][C@@](C)(N(C)C)C(O)=O,"InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1",QCYOIFVBYZNUNW-BYPYZUCNSA-N
DB02168,767-69-1,6-bromopurine,experimental,,,,,,BP1,,ZINC000005783717,,,,,5287830,BrC1=NC=NC2=C1NC=N2,"InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)",CTGFGRDVWBZYNB-UHFFFAOYSA-N
DB02169,78111-17-8,"9,10-Deepithio-9,10-Didehydroacanthifolicin",experimental,,,,,,OKA,,ZINC000085601542,CHEMBL280487,50110676,,44658,446512,[H]\C(=C(\[H])[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@@]([H])(C(=C)[C@@]([H])(O)[C@]3([H])O2)[C@@]([H])(O)C[C@]([H])(C)[C@@]2([H])O[C@@]3(CCCCO3)CC[C@@]2([H])C)O1)[C@@]([H])(C)[C@]1([H])CC(C)=C[C@@]2(O[C@]([H])(C[C@@](C)(O)C(O)=O)CC[C@@]2([H])O)O1,"InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1",QNDVLZJODHBUFM-WFXQOWMNSA-N
DB02170,,"1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One",experimental,,,,,,MNX,,ZINC000012501685,CHEMBL270512,11314,,77321,5326637,OC1=CC=C(C2=C1C(=O)C1=C(O)C=CC=C1O2)[N+]([O-])=O,"InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H",ZOHCDJRFYXKEQW-UHFFFAOYSA-N
DB02172,,"2,5-Dideoxy-2,5-Imino-D-Glucitol",experimental,,,,,,DIG,,ZINC000000899007,CHEMBL405957,50375510,,,11073745,OC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O,"InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m0/s1",PFYHYHZGDNWFIF-BXKVDMCESA-N
DB02173,,Co(III)-(Deuteroporphyrin IX),experimental,,,,,,DEU,,,,,,,,[Co+7].[H]\C-1=C2\[N-]\C(=C([H])/C3=N/C(=C([H])\C4=C(CCC([O-])=O)C(C)=C(N4)\C([H])=C4\C=C(C)C-1=N4)/C(CCC(O)=O)=C3C)C(C)=C2,"InChI=1S/C30H30N4O4.Co/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+7/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;",KHTDHHCCHPGKMR-RWRCOHKGSA-L
DB02174,5959-95-5,D-Glutamine,experimental,,,,,,DGN,,ZINC000001532609,CHEMBL1232207,181129,,17061,6992096,N[C@H](CCC(N)=O)C(O)=O,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",ZDXPYRJPNDTMRX-GSVOUGTGSA-N
DB02175,141-82-2,Malonic acid,experimental,,,,,,MLA,,ZINC000000895212,CHEMBL7942,14673,,30794,23511544,OC(=O)CC(O)=O,"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)",OFOBLEOULBTSOW-UHFFFAOYSA-N
DB02176,,Mercury Acetate Ion,experimental,,,,,,MAC,,,,,,49727,16685160,CC(=O)O[Hg+],"InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+2/p-1",QWSOAYZXYZDDPB-UHFFFAOYSA-M
DB02177,,1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine,experimental,,,,,,L08,,ZINC000016051394,CHEMBL1233907,50538002,,,448317,CCOC1=CC=CC=C1SC1=C(C=C(C=C1)C1=CC(=NC=C1)N1CCN(CC1)C(C)=O)N(=O)=O,"InChI=1S/C25H26N4O4S/c1-3-33-22-6-4-5-7-24(22)34-23-9-8-19(16-21(23)29(31)32)20-10-11-26-25(17-20)28-14-12-27(13-15-28)18(2)30/h4-11,16-17H,3,12-15H2,1-2H3",GKGJFUXSTSUKPB-UHFFFAOYSA-N
DB02178,122-78-1,Phenylacetaldehyde,experimental,,,,1367159,,HY1,,ZINC000000895323,CHEMBL1233464,,,16424,998,O=CCC1=CC=CC=C1,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",DTUQWGWMVIHBKE-UHFFFAOYSA-N
DB02179,,O-Trifluoromethylphenyl Anthranilic Acid,experimental,,,,,,OFL,,ZINC000002046924,,,,,445155,OC(=O)C1=CC=CC=C1NC1=C(C=CC=C1)C(F)(F)F,"InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)",ONKHJNFXJDEMNQ-UHFFFAOYSA-N
DB02180,3130-72-1,Myristoyl-Coa,experimental,,,,,,MYA,,ZINC000195445287,,,,15532,11966124,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1",DUAFKXOFBZQTQE-QSGBVPJFSA-N
DB02181,2564-35-4,2'-Deoxyguanosine-5'-Triphosphate,experimental,,,,,,DGT,,ZINC000008215755,CHEMBL477486,21687,,16497,135398599,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,"InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",HAAZLUGHYHWQIW-KVQBGUIXSA-N
DB02182,,Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe),experimental,,,,,,HEB,,,,,,,,CCC1=C2C=C3N4C(=CC5=C(C)C(CCC(O)=O)=C6C=C7N8C(=CC(N2[Fe]48N56)=C1C)C(C)=C7CCC(O)=O)C(C=C)=C3C,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H,39,40)(H,41,42);/q-4;+4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",BUYPFLNIJYEQJK-RGGAHWMASA-N
DB02183,,Adenosine-5'-ditungstate,experimental,,,,,,ADW,,,,,,,,NC1=C2N=CN(C3OC(CO[W](O)(=O)O[W](O)(O)=O)C(O)C3O)C2=NC=N1,"InChI=1S/C10H12N5O4.3H2O.3O.2W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);3*1H2;;;;;/q-1;;;;;;;2*+2/p-3",OIACDJFRUAAXOT-UHFFFAOYSA-K
DB02184,,"D-1,4-dithiothreitol",experimental,,,,,,DTV,,ZINC000003852211,CHEMBL1232392,,,42170,446094,O[C@H](CS)[C@H](O)CS,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1",VHJLVAABSRFDPM-QWWZWVQMSA-N
DB02185,,"2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One",experimental,,,,,,HBO,,ZINC000002018620,,,,,445228,[H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O,"InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1",GDNZNIJPBQATCZ-SECBINFHSA-N
DB02186,157296-99-6,N-acetyl-beta-D-galactosamine 6-sulfate,experimental,,,,,,NG6,,ZINC000004096360,,,,44395,440271,CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1",WJFVEEAIYIOATH-JAJWTYFOSA-N
DB02187,474-86-2,Equilin,experimental,9927655,,D04041,,,EQI,,ZINC000100031739,CHEMBL323533,50423544,EQUILIN,42309,223368,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC=C21)C=C(O)C=C3,"InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1",WKRLQDKEXYKHJB-HFTRVMKXSA-N
DB02188,,N-Methylmesoporphyrin containing copper,experimental,,,,,,MP1,,,,,,,,[Cu+].CCC1=C(C)\C2=C\C3=C(CC)C(C)=C(\C=C4/N=C(/C=C5\[N-]\C(=C/C1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)N3C,"InChI=1S/C35H40N4O4.Cu/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28;/h14-17H,8-13H2,1-7H3,(H3,36,37,38,40,41,42,43);/q;+1/p-1/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-;",CTVHSHALRXJQNK-ZHZUXMKXSA-M
DB02189,24027-80-3,"2',3'-Dideoxyadenosine triphosphate",experimental,,,,,,DDS,,ZINC000012501706,CHEMBL1383,50164644,,172701,65304,NC1=C2N=CN([C@H]3CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1,"InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1",OAKPWEUQDVLTCN-NKWVEPMBSA-N
DB02190,,(S)-oxalosuccinic acid,experimental,,,,,,OXS,,ZINC000001530145,,,,44712,5496597,[H][C@@](CC(O)=O)(C(O)=O)C(=O)C(O)=O,"InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-/m0/s1",UFSCUAXLTRFIDC-REOHCLBHSA-N
DB02191,,"(7as,12ar,12bs)-1,2,3,4,7a,12,12a,12b-Octahydroindolo[2,3-a]Quinolizin-7(6h)-One",experimental,,,,,,IQZ,,,,,,,11987779,[H][C@@]12CCCC[N@]1CC(=O)C1=C2NC2=C1C=CC=C2,"InChI=1S/C15H16N2O/c18-13-9-17-8-4-3-7-12(17)15-14(13)10-5-1-2-6-11(10)16-15/h1-2,5-6,12,16H,3-4,7-9H2/t12-/m0/s1",PGKUSHWBQJPFOP-LBPRGKRZSA-N
DB02192,60-12-8,Phenylethyl alcohol,experimental,,,D00192,8126,,PEL,,ZINC000000895934,CHEMBL448500,85807,PHENYLETHYL ALCOHOL,49000,6054,OCCC1=CC=CC=C1,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",WRMNZCZEMHIOCP-UHFFFAOYSA-N
DB02194,,"8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One",experimental,,,,,,CTZ,,ZINC000038664782,,,,,5287994,OC1=CC=C(C[C@@]2(O)N=C3N(C=C(N=C3CC3=CC=CC=C3)C3=CC=C(O)C=C3)C2=O)C=C1,"InChI=1S/C26H21N3O4/c30-20-10-6-18(7-11-20)15-26(33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1",ULLMMKZQNNBLRN-SANMLTNESA-N
DB02195,,"3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine",experimental,,,,,,FPH,,ZINC000012501714,,,,,5288238,ON1C2=CC=CN=C2C(=C1C1=CC=NC=C1)C1=CC=C(F)C=C1,"InChI=1S/C18H12FN3O/c19-14-5-3-12(4-6-14)16-17-15(2-1-9-21-17)22(23)18(16)13-7-10-20-11-8-13/h1-11,23H",ZSMYZLKEZDYVPI-UHFFFAOYSA-N
DB02196,,Uridine-Diphosphate-N-Acetylgalactosamine,experimental,,,,,,UD2,,ZINC000008551132,,,,67168,23700,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1",LFTYTUAZOPRMMI-NESSUJCYSA-N
DB02197,,"4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide",experimental,,,,,,HDT,,ZINC000001493866,CHEMBL73303,7657,,,5288527,NS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C3C=CC=CN23)C=C1,"InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)",NKORVPQBJCGYEC-UHFFFAOYSA-N
DB02198,79-08-3,2-Bromoacetyl Group,experimental,,,,,,BXA,,ZINC000003860231,CHEMBL60851,50119693,,,6227,OC(=O)CBr,"InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)",KDPAWGWELVVRCH-UHFFFAOYSA-N
DB02199,,"1,3-Dedimethyl-1,3-Divinyl Heme",experimental,,,,,,HEV,,,,,,,,CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5N6C(=CC7=C(C=C)C(C=C)=C8C=C1N2[Fe]6(N34)N78)C(C=C)=C5C=C,"InChI=1S/C36H32N4O4.Fe/c1-7-21-23(9-3)31-17-32-24(10-4)22(8-2)30(40-32)16-28-20(6)26(12-14-36(43)44)34(38-28)18-33-25(11-13-35(41)42)19(5)27(37-33)15-29(21)39-31;/h7-10,15-18H,1-4,11-14H2,5-6H3,(H,41,42)(H,43,44);/q-4;+4/b27-15-,28-16-,29-15-,30-16-,31-17-,32-17-,33-18-,34-18-;",QAAYYMOFLAXZMF-ZSQORRHCSA-N
DB02200,,3-[N-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene,experimental,,,,,,VS2,,ZINC000014880256,,,,,5289560,[H]N([C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)CC1=CC=CC=C1)C(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)OCC1=CC=CC=C1,"InChI=1S/C35H38N2O5S/c38-34(33(25-29-15-7-2-8-16-29)37-35(39)42-26-30-17-9-3-10-18-30)36-32(22-21-28-13-5-1-6-14-28)23-24-43(40,41)27-31-19-11-4-12-20-31/h1-20,32-33H,21-27H2,(H,36,38)(H,37,39)/t32-,33-/m0/s1",VXIINIMESJGNGI-LQJZCPKCSA-N
DB02201,,Malonate Ion,experimental,,,,,,MLI,,,,50159797,,15792,9084,[O-]C(=O)CC([O-])=O,"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2",OFOBLEOULBTSOW-UHFFFAOYSA-L
DB02202,24621-61-2,"(S)-butane-1,3-diol",experimental,,,,,,BU2,,ZINC000001867144,CHEMBL1231501,,,52688,446973,C[C@H](O)CCO,"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1",PUPZLCDOIYMWBV-BYPYZUCNSA-N
DB02203,75-86-5,Acetone Cyanohydrin,experimental,,,,,,CNH,,ZINC000008217842,CHEMBL1231861,,,15348,6406,CC(C)(O)C#N,"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3",MWFMGBPGAXYFAR-UHFFFAOYSA-N
DB02205,14755-47-6,(+)-Rutamarin alcohol,experimental,,,,,,BRZ,,ZINC000000898293,CHEMBL1231470,50220736,,,5287846,CC(C)(O)[C@@H]1CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C,"InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1",JCDLLLXYAICSQV-INIZCTEOSA-N
DB02207,2942-42-9,7-Nitroindazole,experimental,,,,,,7NI,,ZINC000006473422,CHEMBL247378,50209245,,,1893,O=N(=O)C1=CC=CC2=CNN=C12,"InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)",PQCAUHUKTBHUSA-UHFFFAOYSA-N
DB02209,447-05-2,Pyridoxine phosphate,experimental,,,,,,PXP,,ZINC000001532705,,,,28803,1055,CC1=NC=C(COP(O)(O)=O)C(CO)=C1O,"InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)",WHOMFKWHIQZTHY-UHFFFAOYSA-N
DB02210,629-11-8,"Hexane-1,6-Diol",experimental,,,,,,HEZ,,ZINC000001555566,CHEMBL458616,,,43078,12374,OCCCCCCO,"InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2",XXMIOPMDWAUFGU-UHFFFAOYSA-N
DB02211,124192-87-6,(R)-N-methyl-N-2-propynyl-1-indanamine,experimental,,,,,,RMA,,ZINC000053275068,CHEMBL436947,11002,,,5289295,CN(CC#C)[C@@H]1CCC2=C1C=CC=C2,"InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1",CSVGVHNFFZWQJU-CYBMUJFWSA-N
DB02213,,Metanitrophenyl-Alpha-D-Galactoside,experimental,,,,,,GAA,,ZINC000006535005,,,,,445328,[H][C@]1(CO)O[C@]([H])(OC2=CC=CC(=C2)N(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1",VCCMGHVCRFMITI-IIRVCBMXSA-N
DB02214,,"6,7-dioxo-5H-8-ribitylaminolumazine",experimental,,,,,,RDL,,ZINC000013543028,,,,,447426,[H]N1C(=O)N([H])C2=C(N([H])C(=O)C(=O)N2C[C@H](O)[C@H](O)[C@H](O)CO)C1=O,"InChI=1S/C11H14N4O8/c16-2-4(18)6(19)3(17)1-15-7-5(12-9(21)10(15)22)8(20)14-11(23)13-7/h3-4,6,16-19H,1-2H2,(H,12,21)(H2,13,14,20,23)/t3-,4+,6-/m0/s1",MIBROOURCUHKMD-RPDRRWSUSA-N
DB02215,,Furoyl-Leucine,experimental,,,,,,FLE,,ZINC000000260476,,,,,774282,[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(O)=O,"InChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1",LXBURZIESWDWIV-QMMMGPOBSA-N
DB02216,1187-84-4,S-Methylcysteine,experimental,,,,,,SMC,,ZINC000003861771,CHEMBL394875,50213729,,45658,24417,CSC[C@H](N)C(O)=O,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",IDIDJDIHTAOVLG-VKHMYHEASA-N
DB02217,,Dpb-T,experimental,,,,,,DPB,,ZINC000012501733,,,,,5288101,[H][C@]1(C[C@]2([H])O[C@@](OC[C@]2([H])O1)(C1=CC=CC=C1)P(O)(O)=O)N1C=C(C)C(=O)NC1=O,"InChI=1S/C17H19N2O8P/c1-10-8-19(16(21)18-15(10)20)14-7-12-13(26-14)9-25-17(27-12,28(22,23)24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,20,21)(H2,22,23,24)/t12-,13-,14-,17-/m0/s1",WTZFKHNHHRPQOU-WSMBLCCSSA-N
DB02218,,"N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside",experimental,,,,,,AC1,,ZINC000058638973,,,,,444440,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1",RBZIIHWPZWOIDU-ZCGMLSCUSA-N
DB02219,1135-40-6,3-(cyclohexylamino)propanesulfonic acid,experimental,,,,,,CXS,,ZINC000002004372,,,,191088,70815,OS(=O)(=O)CCCNC1CCCCC1,"InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)",PJWWRFATQTVXHA-UHFFFAOYSA-N
DB02220,220402-83-5,AL7089A,experimental,,,,,,AL8,,,,11936,,,3013848,CN[C@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1",RMOXCYSVWCHXII-LBPRGKRZSA-N
DB02221,,"4-(Aminosulfonyl)-N-[(2,4,6-Trifluorophenyl)Methyl]-Benzamide",experimental,,,,,,IOE,,,,12021,,,446241,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1F,"InChI=1S/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)",DVTYOTODFLDHRL-UHFFFAOYSA-N
DB02222,,"2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine",experimental,,,,,,9PP,,,,,,,5287571,C[C@@H](CN1C=NC2=C1N=C(N)N=C2N)OCP([O-])([O-])=O,"InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/p-2/t5-/m0/s1",LWEKFDHXJHJYGB-YFKPBYRVSA-L
DB02223,,LY231514 tetra glu,experimental,,,,,,LYB,,,,,,,135678105,NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)N1,"InChI=1S/C35H42N8O15/c36-35-42-28-27(30(50)43-35)18(15-37-28)6-3-16-1-4-17(5-2-16)29(49)41-22(34(57)58)9-13-25(46)39-20(32(53)54)7-11-23(44)38-19(31(51)52)8-12-24(45)40-21(33(55)56)10-14-26(47)48/h1-2,4-5,15,19-22H,3,6-14H2,(H,38,44)(H,39,46)(H,40,45)(H,41,49)(H,47,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H4,36,37,42,43,50)/t19-,20-,21?,22-/m0/s1",DICHBVJYDUDAIQ-QEGIFBSNSA-N
DB02224,480-18-2,Taxifolin,experimental,,,,,,DQH,,ZINC000100018343,CHEMBL66,212435,,17948,439533,O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",CXQWRCVTCMQVQX-LSDHHAIUSA-N
DB02225,,"1,2-Di-N-Pentanoyl-Sn-Glycero-3-Dithiophosphocholine",experimental,,,,,,PC5,,,,,,,447776,CCCCC(=O)OC[C@H](CO[P@@]([S-])(=S)OCC[N+](C)(C)C)OC(=O)CCCC,"InChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3/t16-/m1/s1",WEXRBKRFCBLWEL-MRXNPFEDSA-N
DB02226,,"3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium",experimental,,,,,,TZ4,,ZINC000038377621,CHEMBL455333,50377920,,,5289507,NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN(CCNC2=C3CCCCC3=NC3=C2C=CC=C3)N=N1,"InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)50(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-49(48-47-32)25-23-45-41-35-15-7-9-17-38(35)46-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,46)/p+1",NAARZDJZGYBXKL-UHFFFAOYSA-O
DB02227,,"4,5-Dihydroxy-Tetrahydro-Pyran-2-Carboxylic Acid",experimental,,,,,,GCT,,,,,,,448431,O[C@H]1CO[C@@H](C[C@@H]1O)C(O)=O,"InChI=1S/C6H10O5/c7-3-1-5(6(9)10)11-2-4(3)8/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5-/m0/s1",YRPRHLNMFWDGSL-YUPRTTJUSA-N
DB02228,,2-deoxy-2-fluoro-β-D-galactose,experimental,,,,,,2FG,,ZINC000004329329,,,,49145,7191874,[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])F,"InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",ZCXUVYAZINUVJD-VFUOTHLCSA-N
DB02229,,5'-O-[(L-methionyl)-sulphamoyl]adenosine,experimental,,,,,,MSP,,,,,,,131704197,CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)NC=NC12,"InChI=1S/C15H25N7O7S2/c1-30-3-2-7(16)14(25)21-31(26,27)28-4-8-10(23)11(24)15(29-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,13,15,23-24H,2-4,16-17H2,1H3,(H,18,19)(H,21,25)/t7-,8+,10+,11+,13?,15+/m0/s1",SQDXXTAOGLOMRP-VOLIQSIHSA-N
DB02230,,Immucillin-G,experimental,,,,,,IMG,,ZINC000013525011,CHEMBL473922,50293086,,43467,135445969,NC1=NC2=C(NC=C2[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1",KBIDJCVAURJXFG-PVEDRDFWSA-N
DB02232,120-80-9,"1,2-Dihydroxybenzene",experimental,,,,,,CAQ,,ZINC000013512214,CHEMBL280998,26188,,18135,289,OC1=CC=CC=C1O,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",YCIMNLLNPGFGHC-UHFFFAOYSA-N
DB02233,,6-hydroxy-D-norleucine,experimental,,,,,,DDO,,ZINC000002035148,,,,,5288041,[H][C@@](N)(CCCCO)C(O)=O,"InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m1/s1",OLUWXTFAPJJWPL-RXMQYKEDSA-N
DB02234,2986-20-1,S-Ethylisothiourea,experimental,,,,,,ITU,,ZINC000003806245,CHEMBL321691,50055281,,,5139,CCSC(N)=N,"InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)",VFIZBHJTOHUOEK-UHFFFAOYSA-N
DB02235,62697-73-8,L-methionine (R)-S-oxide,experimental,,,,,,SME,,ZINC000001529567,,,,49032,10062737,C[S@@](=O)CC[C@H](N)C(O)=O,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1",QEFRNWWLZKMPFJ-ZXPFJRLXSA-N
DB02236,,Glycinamide Ribonucleotide,experimental,,,,,,GAR,,,,,,18349,5459918,NCC(=O)NC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1",OBQMLSFOUZUIOB-HJZCUYRDSA-N
DB02237,34612-38-9,Maltotetraose,experimental,,,,,,,,ZINC000087493170,,,,28460,123966,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O,"InChI=1S/C24H42O21/c25-1-6(30)11(32)19(7(31)2-26)43-23-17(38)14(35)21(9(4-28)41-23)45-24-18(39)15(36)20(10(5-29)42-24)44-22-16(37)13(34)12(33)8(3-27)40-22/h1,6-24,26-39H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1",UYQJCPNSAVWAFU-KVXMBEGHSA-N
DB02238,583-92-6,4-methylthio-2-oxobutanoic acid,experimental,,,,,,KMT,,ZINC000001532883,CHEMBL1233860,154571,,33574,473,CSCCC(=O)C(O)=O,"InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)",SXFSQZDSUWACKX-UHFFFAOYSA-N
DB02239,123-76-2,Laevulinic Acid,experimental,,,,,,SHF,,ZINC000000586584,CHEMBL1235931,82191,MAGNESIUM LEVULINATE,45630,11579,CC(=O)CCC(O)=O,"InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)",JOOXCMJARBKPKM-UHFFFAOYSA-N
DB02240,64046-79-3,Quinacrine mustard,experimental,,,,,,QUM,,,CHEMBL1190232,,,37595,20194,COC1=CC2=C(NC(C)CCCN(CCCl)CCCl)C3=CC=C(Cl)C=C3N=C2C=C1,"InChI=1S/C23H28Cl3N3O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28)",UKOBAUFLOGFCMV-UHFFFAOYSA-N
DB02241,,"8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One",experimental,,,,,,CZH,,ZINC000058660460,,,,,5288011,OO[C@]1(CC2=CC=C(O)C=C2)N=C2N(C=C(N=C2CC2=CC=CC=C2)C2=CC=C(O)C=C2)C1=O,"InChI=1S/C26H21N3O5/c30-20-10-6-18(7-11-20)15-26(34-33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1",HOSWCJDTHOAORT-SANMLTNESA-N
DB02242,701-97-3,Cyclohexanepropanoic acid,experimental,,,,,,CXP,,ZINC000000388386,,,,,69702,OC(=O)CCC1CCCCC1,"InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)",HJZLEGIHUQOJBA-UHFFFAOYSA-N
DB02243,,4-Morpholin-4-Yl-Piperidine-1-Carboxylic Acid [1-(3-Benzenesulfonyl-1-Propyl-Allylcarbamoyl)-2-Phenylethyl]-Amide,experimental,,,,,,MYP,,,,,,,,[H][C@](CCC)(C=CS(=O)(=O)C1=CC=CC=C1)N=C(O)[C@]([H])(CC1=CC=CC=C1)N=C(O)N1CCC(CC1)N1CCOCC1,"InChI=1S/C31H42N4O5S/c1-2-9-26(16-23-41(38,39)28-12-7-4-8-13-28)32-30(36)29(24-25-10-5-3-6-11-25)33-31(37)35-17-14-27(15-18-35)34-19-21-40-22-20-34/h3-8,10-13,16,23,26-27,29H,2,9,14-15,17-22,24H2,1H3,(H,32,36)(H,33,37)/t26-,29-/m0/s1",OFBHNKJTHNHXQT-WNJJXGMVSA-N
DB02245,7355-55-7,7-Deazaguanine,experimental,,,,,,7DG,,ZINC000018187616,CHEMBL219544,,,,135497479,NC1=NC2=C(CC=N2)C(=O)N1,"InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h2H,1H2,(H3,7,9,10,11)",LOSIULRWFAEMFL-UHFFFAOYSA-N
DB02247,,Hydrolyzed Cephalothin,experimental,,,,,,KCP,,ZINC000002043394,,,,,5288660,[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)[C@@]1([H])NC(C(O)=O)=C(C)CS1,"InChI=1S/C14H16N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,11-12,16H,5-6H2,1H3,(H,15,17)(H,18,19)(H,20,21)/t11-,12-/m0/s1",JRYZEMHNDUZNMI-RYUDHWBXSA-N
DB02248,,3-Methyl-5-Sulfo-Pyrrolidine-2-Carboxylic Acid,experimental,,,,,,BG3,,ZINC000033821219,,,,,5287761,[H][C@@]1(C)C[C@@]([H])(N[C@@]1([H])C(O)=O)S(O)(=O)=O,"InChI=1S/C6H11NO5S/c1-3-2-4(13(10,11)12)7-5(3)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)(H,10,11,12)/t3-,4+,5-/m1/s1",PZCKFQRRNSACOM-MROZADKFSA-N
DB02249,110-80-5,2-Ethoxyethanol,experimental,,,,1314365,,ETX,,ZINC000001648262,CHEMBL119596,,,46788,8076,CCOCCO,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",ZNQVEEAIQZEUHB-UHFFFAOYSA-N
DB02251,27415-09-4,O-Succinylbenzoate,experimental,,,,,,OSB,,,,,,44788,955,OC(=O)CCC(=O)C1=C(C=CC=C1)C(O)=O,"InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)",YIVWQNVQRXFZJB-UHFFFAOYSA-N
DB02252,591-50-4,Iodobenzene,experimental,,,,,,PIH,,ZINC000001699878,CHEMBL116296,,,,11575,IC1=CC=CC=C1,InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H,SNHMUERNLJLMHN-UHFFFAOYSA-N
DB02253,,"(1r)-4-[(1e,3e,5e,7z,9e,11z,13e,15e)-17-Hydroxy-3,7,12,16-Tetramethylheptadeca-1,3,5,7,9,11,13,15-Octaen-1-Yl]-3,5,5-Trimethylcyclohex-3-En-1-Ol",experimental,,,,,,3ON,,ZINC000012501797,,,,,5287502,OC\C(C)=C\C=C\C(\C)=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,"InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12-,24-13-,25-16+,26-17+/t28-/m1/s1",FNAJVVMDXCOSFY-VFGOXHQXSA-N
DB02254,,Trifluoro-thiamin phosphate,experimental,,,,,,FTP,,,,,,,4631605,CC1=C(CCOP([O-])([O-])=O)SC=[N+]1CC1=CN=C(N=C1N)C(F)(F)F,"InChI=1S/C12H14F3N4O4PS/c1-7-9(2-3-23-24(20,21)22)25-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16/h4,6H,2-3,5H2,1H3,(H3-,16,17,18,20,21,22)/p-1",ZIBIECXVPMYJCV-UHFFFAOYSA-M
DB02255,142880-36-2,Ilomastat,experimental,,,D03793,,,GM6,,ZINC000003780014,CHEMBL19611,50062351,,137236,132519,CNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)CC(=O)NO,"InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1",NITYDPDXAAFEIT-DYVFJYSZSA-N
DB02256,951-78-0,2'-Deoxyuridine,experimental,,,,,,DUR,,ZINC000000155696,CHEMBL353955,,,16450,13712,OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1",MXHRCPNRJAMMIM-SHYZEUOFSA-N
DB02257,,N-Bromoacetyl-Aminoethyl Phosphate,experimental,,,,,,BE1,,ZINC000003874382,,,,,4354,CC(=O)N(Br)CCOP(O)(O)=O,"InChI=1S/C4H9BrNO5P/c1-4(7)6(5)2-3-11-12(8,9)10/h2-3H2,1H3,(H2,8,9,10)",DPNUMPJWOVYEOX-UHFFFAOYSA-N
DB02258,,SR11254,experimental,,,,,,254,,ZINC000013604270,CHEMBL77961,,,,9887303,CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=N/O)\C1=CC=C2C=C(C=CC2=C1)C(O)=O,"InChI=1S/C26H27NO3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27-30)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,30H,11-12H2,1-4H3,(H,28,29)/b27-23-",RNZIUDLOJHVHLZ-VYIQYICTSA-N
DB02259,,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide",experimental,,,,,,892,,ZINC000024667138,,,,,448661,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C23H18Br2N2O7S2/c1-2-19-21(22(28)12-9-17(24)23(29)18(25)10-12)16-8-7-15(11-20(16)34-19)36(32,33)27-13-3-5-14(6-4-13)35(26,30)31/h3-11,27,29H,2H2,1H3,(H2,26,30,31)",VSYGXLAJQDAWCZ-UHFFFAOYSA-N
DB02260,,4-Oxosebacic Acid,experimental,,,,,,4OX,,ZINC000003074811,,,,191018,1755,OC(=O)CCCCCC(=O)CCC(O)=O,"InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)",XTQIBFVBYWIHIP-UHFFFAOYSA-N
DB02261,74389-68-7,Platelet Activating Factor,experimental,,,,,,PFS,,,CHEMBL1235246,85035,,44811,108156,CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O,"InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1",HVAUUPRFYPCOCA-AREMUKBSSA-N
DB02262,65-86-1,Orotic acid,investigational,,,D00055,7712,,ORO,3402,ZINC000001408068,CHEMBL1235017,,OROTIC ACID,16742,967,OC(=O)C1=CC(=O)NC(=O)N1,"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",PXQPEWDEAKTCGB-UHFFFAOYSA-N
DB02263,591-57-1,D-glyceraldehyde 3-phosphate,experimental,,,,,,G3H,,ZINC000003869936,CHEMBL1232918,50420199,,29052,439168,[H]C(=O)[C@H](O)COP(O)(O)=O,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1",LXJXRIRHZLFYRP-VKHMYHEASA-N
DB02264,,O2-Sulfo-Glucuronic Acid,experimental,,,,,,IDS,,ZINC000004096028,,,,43453,444390,[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O,"InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1",COJBCAMFZDFGFK-VCSGLWQLSA-N
DB02265,3439-38-1,Ethyl-Trimethyl-Silane,experimental,,,,,,CEQ,,ZINC000169748472,,,,48788,137936,CC[Si](C)(C)C,"InChI=1S/C5H14Si/c1-5-6(2,3)4/h5H2,1-4H3",UKAJDOBPPOAZSS-UHFFFAOYSA-N
DB02266,530-78-9,Flufenamic acid,approved,,M01AG03,D01581,4453,PA166049190,FLF,1193,ZINC000000086535,CHEMBL23588,17636,FLUFENAMIC ACID,42638,3371,OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)",LPEPZBJOKDYZAD-UHFFFAOYSA-N
DB02267,,Argininosuccinate,experimental,,,,,,AS1,,,,,,,448718,N[C@@H](CCC\N=C(/N)N[C@H](CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6+/m0/s1",KDZOASGQNOPSCU-NTSWFWBYSA-N
DB02268,,4-(Acetylamino)-3-Amino Benzoic Acid,experimental,,,,,,ST3,,,CHEMBL109162,5274,,,446367,CC(=O)NC1=C(N)C=C(C=C1)C(O)=O,"InChI=1S/C9H10N2O3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,10H2,1H3,(H,11,12)(H,13,14)",MJMLUICFHWSBQZ-UHFFFAOYSA-N
DB02269,,[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium,experimental,,,,,,IMA,,ZINC000003815595,CHEMBL1190476,13894,,,446978,C[N+](C)(C)C1=CC=C(CNC(=O)C2=CC3=C(C=CC(OCC4=CC=CC=C4)=C3)N2CC2=CC=CC(=C2)C(N)=N)C=C1,"InChI=1S/C34H35N5O2/c1-39(2,3)29-14-12-24(13-15-29)21-37-34(40)32-20-28-19-30(41-23-25-8-5-4-6-9-25)16-17-31(28)38(32)22-26-10-7-11-27(18-26)33(35)36/h4-20H,21-23H2,1-3H3,(H3-,35,36,37,40)/p+1",UFKJQTGPBFWMGT-UHFFFAOYSA-O
DB02270,,Dimethylallyl S-Thiolodiphosphate,experimental,,,,,,DST,,,,,,,5288123,CC(C)CCS[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H14O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)",UWSFTDFHOGCIEL-UHFFFAOYSA-N
DB02271,,S-(2-oxo)pentadecylcoa,experimental,,,,,,NHM,,ZINC000169357136,,,,,449362,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)CCCCCCCCCCCCC)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t26-,29-,30-,31-,35-/m1/s1",JKWHUJMJVNMKEF-SXKLBCNJSA-N
DB02272,487-90-1,Porphobilinogen,experimental,,,,,,PBG,,ZINC000000056609,CHEMBL1235151,,,17381,1021,NCC1=C(CC(O)=O)C(CCC(O)=O)=CN1,"InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)",QSHWIQZFGQKFMA-UHFFFAOYSA-N
DB02273,18479-58-8,"2,6-Dimethyl-7-Octen-2-Ol",experimental,,,,,,DHM,,ZINC000002017307,,,,,1712076,C[C@@H](CCCC(C)(C)O)C=C,"InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3/t9-/m1/s1",XSNQECSCDATQEL-SECBINFHSA-N
DB02274,4707-58-8,7-Keto-8-Aminopelargonic Acid,experimental,,,,,,KAP,,ZINC000001532843,,,,149468,448124,[H][C@@](C)(N)C(=O)CCCCCC(O)=O,"InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1",GUAHPAJOXVYFON-ZETCQYMHSA-N
DB02275,,"[2-Aminomethyl-5-Oxo-4-(4-Oxo-Cyclohexa-2,5-Dienylmethyl)-4,5-Dihydro-Imidazol-1-Yl] -Acetaldehyde",experimental,,,,,,PBI,,ZINC000005975835,,,,,17754118,[H][C@@]1(CC2C=CC(=O)C=C2)N=C(CN)N(CC=O)C1=O,"InChI=1S/C13H15N3O3/c14-8-12-15-11(13(19)16(12)5-6-17)7-9-1-3-10(18)4-2-9/h1-4,6,9,11H,5,7-8,14H2/t11-/m0/s1",MONOYMGQJZJGBR-NSHDSACASA-N
DB02276,,(S)-2-(Phosphonoxy)Caproyl-L-Leucyl-P-Nitroanilide,experimental,,,,,,MLN,,ZINC000003874621,,,,,17754079,[H][C@@](CC(C)C)(NC(=O)[C@]([H])(CCCC)OP(O)(O)=O)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C18H28N3O8P/c1-4-5-6-16(29-30(26,27)28)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)(H2,26,27,28)/t15-,16-/m0/s1",HARXAJAHMRMERT-HOTGVXAUSA-N
DB02277,,1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea,experimental,,,,,,BMU,,ZINC000000165878,CHEMBL87277,14831,,47249,446816,CN1N=C(C=C1NC(=O)NC1=CC=C(Cl)C=C1)C(C)(C)C,"InChI=1S/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21)",FWIJKWMXNHRSRO-UHFFFAOYSA-N
DB02278,,"7,8-dihydro-7,7-dimethyl-6-hydroxypterin",experimental,,,,,,ROI,,ZINC000012501824,,,,,135403820,[H]N([H])C1=NC(=O)C2=C(N1[H])N([H])C(C)(C)C(=O)N2[H],"InChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14)",JMLQSLXEUWNWFI-UHFFFAOYSA-N
DB02279,611-73-4,Benzoylformic Acid,experimental,,,,,,173,,ZINC000001529359,CHEMBL950,50102174,,18280,11915,OC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)",FAQJJMHZNSSFSM-UHFFFAOYSA-N
DB02280,611-71-2,(R)-Mandelic acid,experimental,,,,,,RMN,,ZINC000000164392,CHEMBL292411,16421,,17656,11914,O[C@@H](C(O)=O)C1=CC=CC=C1,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1",IWYDHOAUDWTVEP-SSDOTTSWSA-N
DB02281,6742-12-7,Formycin,experimental,,,,,,FMC,,ZINC000018275505,CHEMBL471524,,,42452,447199,[H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(N)C3=NN2)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1",KBHMEHLJSZMEMI-KSYZLYKTSA-N
DB02282,2457-80-9,5'-S-methyl-5'-thioadenosine,experimental,,,,,,MTA,,ZINC000004228245,CHEMBL277041,22111,,17509,439176,CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",WUUGFSXJNOTRMR-IOSLPCCCSA-N
DB02283,,2-Phenylamino-Ethanesulfonic Acid,experimental,,,,,,171,,ZINC000002170599,,,,,446854,OS(=O)(=O)CCNC1=CC=CC=C1,"InChI=1S/C8H11NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12)",IAVHKMVGTPXJIC-UHFFFAOYSA-N
DB02285,553-12-8,Protoporphyrin,experimental,,,,,,PP9,3500,,CHEMBL1325592,50523755,PROTOPORPHYRIN,15430,,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",KSFOVUSSGSKXFI-UJJXFSCMSA-N
DB02286,,2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid,experimental,,,,,,4IN,,ZINC000053683620,,,,,17753790,[H][C@](N)(CC1=CNC2=CC=CC(N)=C12)C(O)=O,"InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1",JUDQOTGDEFNIKF-QMMMGPOBSA-N
DB02287,,2-(2-hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine,experimental,,,,,,122,,,,13937,,,1505,NC(=[NH2+])C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1O,"InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1",URJKRCBBKTXOHS-UHFFFAOYSA-O
DB02288,,CRA-9334,experimental,,,,,,334,,ZINC000013863698,CHEMBL95097,50102789,,,447510,CC1=CC(Br)=C([O-])C(=C1)C1=NC2=CC(=CC=C2N1)C(N)=[NH2+],"InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20)",XKCHOMIJYLHXLI-UHFFFAOYSA-N
DB02289,1068-84-4,2-Aminopropanedioic Acid,experimental,,,,,,FGL,,ZINC000000895421,CHEMBL1232731,,,17475,5245668,NC(C(O)=O)C(O)=O,"InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)",JINBYESILADKFW-UHFFFAOYSA-N
DB02290,,"3-{2,6,8-trioxo-9-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-Yl}propyl dihydrogen phosphate",experimental,,,,,,T5P,,ZINC000012501842,CHEMBL477508,,,,657025,[H]N1C2=C(N(CCCOP(O)(O)=O)C(=O)N2C[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N([H])C1=O,"InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9-/m0/s1",KPHFGOGGKPGLTM-OOZYFLPDSA-N
DB02292,288628-05-7,Irosustat,investigational,,,,,,667,,ZINC000001549366,CHEMBL286738,13058,667 COUMATE,,5287541,NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1,"InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)",DSLPMJSGSBLWRE-UHFFFAOYSA-N
DB02293,,"(2S)-2,3-bis{[(3R,7R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate",experimental,,,,,,L3P,,,,,,,131704198,[H]C(C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@@]([H])(C)CCOC[C@@]([H])(COP(O)(=O)OC[C@]([H])(O)COP([O-])([O-])=O)OCC[C@]([H])(C)CCC[C@]([H])(C)CCCC([H])(C)CCCC(C)C,"InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/p-2/t39?,40?,41-,42-,43-,44-,45-,46+/m1/s1",TZXJQSKPTCRGCA-VZSPAKCESA-L
DB02294,,"(5R,6S,7S,8S)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-A]piperidine",experimental,,,,,,GTZ,,ZINC000033821340,,,,,5288483,[H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3+,4+,5-/m1/s1",UCJXQRFJERKPOZ-MGCNEYSASA-N
DB02295,,"N-[3-(Dimethylamino)Propyl]-2-({[4-({[4-(Formylamino)-1-Methyl-1h-Pyrrol-2-Yl]Carbonyl}Amino)-1-Methyl-1h-Pyrrol-2-Yl]Carbonyl}Amino)-5-Isopropyl-1,3-Thiazole-4-Carboxamide",experimental,,,,,,AIK,,ZINC000014880289,CHEMBL303041,,,,448379,CC(C)C1=C(N=C(NC(=O)C2=CC(NC(=O)C3=CC(NC=O)=CN3C)=CN2C)S1)C(=O)NCCCN(C)C,"InChI=1S/C25H34N8O4S/c1-15(2)21-20(24(37)26-8-7-9-31(3)4)29-25(38-21)30-23(36)19-11-17(13-33(19)6)28-22(35)18-10-16(27-14-34)12-32(18)5/h10-15H,7-9H2,1-6H3,(H,26,37)(H,27,34)(H,28,35)(H,29,30,36)",VDYCDKRATGWFDA-UHFFFAOYSA-N
DB02296,123-51-3,Isoamyl alcohol,experimental,,,,,,,,ZINC000000896830,CHEMBL372396,,,15837,31260,CC(C)CCO,"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",PHTQWCKDNZKARW-UHFFFAOYSA-N
DB02297,,2-Amino-6-Chloropyrazine,experimental,,,,,,CIG,,ZINC000001101988,CHEMBL191632,24626,,,118458,NC1=CN=CC(Cl)=N1,"InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)",JTPXVCKCLBROOJ-UHFFFAOYSA-N
DB02298,,5-Hydroxyamino-3-Methyl-Pyrrolidine-2-Carboxylic Acid,experimental,,,,,,BG5,,ZINC000058626722,,,,,49866701,[H][C@@]1(C)C[C@@]([H])(NO)N[C@@]1([H])C(O)=O,"InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1",PEFGUPQPFCDBPY-UOWFLXDJSA-N
DB02299,,Arginineamide,experimental,,,,,,AAR,,,,,,40477,445032,N[C@@H](CCCNC(N)=[NH2+])C(N)=O,"InChI=1S/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)/p+1/t4-/m0/s1",ULEBESPCVWBNIF-BYPYZUCNSA-O
DB02300,112965-21-6,Calcipotriol,approved,,"['D05AX02', 'D05AX52']",D01125,29365,PA448714,MC9,465,ZINC000003921872,CHEMBL1200666,50369964,DOVONEX,50749,5288783,O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1,"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1",LWQQLNNNIPYSNX-UROSTWAQSA-N
DB02301,,"5,10-Methylene-6-Hydrofolic Acid",experimental,,,,,,TMF,,ZINC000038321464,,,,,135403830,NC1=NC(=O)C2=C(N1)N=C[C@@H]1CN(CN21)C1=CC=C(C=C1)C(=O)N[C@H](CCC(O)=O)C(O)=O,"InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,7,12-13H,5-6,8-9H2,(H,23,30)(H,28,29)(H,32,33)(H3,21,24,25,31)/t12-,13-/m1/s1",BHJAPJNOACHPNI-CHWSQXEVSA-N
DB02302,30344-00-4,Symmetric dimethylarginine,experimental,,,,,,2MR,,ZINC000005965908,,,,25682,51351707,CN\C(NCCC[C@H](N)C(O)=O)=N\C,"InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1",HVPFXCBJHIIJGS-LURJTMIESA-N
DB02303,,"(5S)-5-Iododihydro-2,4(1H,3H)-pyrimidinedione",experimental,,,,,,IDH,,,,,,,5288605,[H]N1C[C@H](I)C(=O)N([H])C1=O,"InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1",YGKCTZPSAOUUMT-REOHCLBHSA-N
DB02304,13367-85-6,Prostaglandin B2,experimental,,,,,,E2P,,ZINC000004521814,CHEMBL1901620,,,28099,5280881,CCCCC[C@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1",PRFXRIUZNKLRHM-HKVRTXJWSA-N
DB02305,,"4,5-Dehydro-D-Glucuronic Acid",experimental,,,,,,GCD,,,,,,41893,445037,[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])O)C(O)=O,"InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1",IAKKJSVSFCTLRY-YKKSOZKNSA-N
DB02306,,Palmitoyl-Linoleoyl Phosphatidylcholine,experimental,,,,,,CPL,,,,,,73002,5287971,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1",JLPULHDHAOZNQI-ZTIMHPMXSA-N
DB02307,,N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine,experimental,,,,,,HPI,,ZINC000012501888,,,,,448836,[H]N([H])C(=O)[C@H](CC(O)=O)N([H])C(=O)[C@H](CC1=CC=CC=C1)N([H])[C@@H](CCC1=CC=CC=C1)C(O)=O,"InChI=1S/C23H27N3O6/c24-21(29)18(14-20(27)28)26-22(30)19(13-16-9-5-2-6-10-16)25-17(23(31)32)12-11-15-7-3-1-4-8-15/h1-10,17-19,25H,11-14H2,(H2,24,29)(H,26,30)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1",FOJUHLDAXGNCIP-FHWLQOOXSA-N
DB02308,,"4-(1,3,2-Dioxaborolan-2-Yloxy)Butan-1-Aminium",experimental,,,,,,DYB,,,,,,,5288139,[NH3+]CCCCOB1OCCO1,"InChI=1S/C6H14BNO3/c8-3-1-2-4-9-7-10-5-6-11-7/h1-6,8H2/p+1",KTZDASPSWBAPAR-UHFFFAOYSA-O
DB02309,,5-monophosphate-9-beta-D-ribofuranosyl xanthine,experimental,,,,,,XMP,,,,,,,6323540,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CNC2=C1NC(=O)NC2=O,"InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H4,12,13,17,18,19,20,21)/p+1/t3-,5-,6-,9-/m1/s1",XHDARDSMKMUDDI-UUOKFMHZSA-O
DB02310,,"3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium",experimental,,,,,,TNP,,,,,,,168131,CC1=CN=C2C(=C1)C(C)=C(C)C1=C2[N+](C)=CC(C)=C1,"InChI=1S/C17H19N2/c1-10-6-14-12(3)13(4)15-7-11(2)9-19(5)17(15)16(14)18-8-10/h6-9H,1-5H3/q+1",FQTUZNACZKILMC-UHFFFAOYSA-N
DB02311,33577-16-1,Methyl Methylsulfinylmethyl Sulfide,experimental,,,,,,DSS,,ZINC000001731100,,,,,9543427,CSC[S@](C)=O,"InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3/t6-/m0/s1",OTKFCIVOVKCFHR-LURJTMIESA-N
DB02312,,beta-D-galactose 6-phosphate,experimental,,,,,,BGP,,ZINC000004095545,,,,41076,449526,O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1",NBSCHQHZLSJFNQ-FPRJBGLDSA-N
DB02313,,"Ethyl (4R)-4-{[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate",experimental,,,,,,AG7,,,,,,,5287636,[H]N([C@H](CCC(=O)OCC)C[C@@H]1CCN([H])C1=O)C(=O)[C@H](CC(=O)[C@@H](N([H])C(=O)C1=NOC(C)=C1)C(C)C)CC1=CC=C(F)C=C1,"InChI=1S/C31H41FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-9,14,18,21-22,24,28H,5,10-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24+,28-/m0/s1",LMIUALQNZXJHOG-ROJPAJKQSA-N
DB02314,,Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine-D-Glutamate,experimental,,,,,,UAG,,ZINC000096068408,,,,46143,449538,C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O,"InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14+,15+,18+,19+,20+,21+,22+,25+,27+/m0/s1",OJZCATPXPWFLHF-HPUCEMLMSA-N
DB02315,7665-99-8,Cyclic GMP,experimental,,,,,,35G,,ZINC000004095501,CHEMBL395336,50369127,,16356,135398570,NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",ZOOGRGPOEVQQDX-UUOKFMHZSA-N
DB02316,,"1-(5-Carboxypentyl)-5-[(2,6-Dichlorobenzyl)Oxy]-1 H-Indole-2-Carboxylic Acid",experimental,,,,,,669,,ZINC000012341129,CHEMBL165315,,,,11113761,OC(=O)CCCCCN1C(=CC2=C1C=CC(OCC1=C(Cl)C=CC=C1Cl)=C2)C(O)=O,"InChI=1S/C22H21Cl2NO5/c23-17-5-4-6-18(24)16(17)13-30-15-8-9-19-14(11-15)12-20(22(28)29)25(19)10-3-1-2-7-21(26)27/h4-6,8-9,11-12H,1-3,7,10,13H2,(H,26,27)(H,28,29)",JTGPYFFQVOIJKR-UHFFFAOYSA-N
DB02317,2255-14-3,Alpha-D-Galactose-1-Phosphate,experimental,,,,,,GL1,,ZINC000004096092,,,,17973,123912,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1",HXXFSFRBOHSIMQ-FPRJBGLDSA-N
DB02318,,2-deoxy-2-fluoro-alpha-D-mannosyl fluoride,experimental,,,,,,FMF,,,,,,,131704200,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)OC([H])(F)[C@@]1([H])F,"InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1",YZRDPODBASCWCK-CBPJZXOFSA-N
DB02319,,"5,6-dihydroxy-NADP",experimental,,,,,,NZQ,,ZINC000098209251,,,,,447659,[H]N([H])C(=O)C1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](OP(O)(O)=O)[C@@H]3O)N3C=NC4=C(N=CN=C34)N([H])[H])[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)C1,"InChI=1S/C21H32N7O19P3/c22-16-11-18(25-5-24-16)28(6-26-11)21-15(46-48(35,36)37)13(31)10(45-21)4-43-50(40,41)47-49(38,39)42-3-9-12(30)14(32)20(44-9)27-2-7(17(23)33)1-8(29)19(27)34/h2,5-6,8-10,12-15,19-21,29-32,34H,1,3-4H2,(H2,23,33)(H,38,39)(H,40,41)(H2,22,24,25)(H2,35,36,37)/t8-,9+,10+,12+,13+,14+,15+,19-,20+,21+/m0/s1",LRAVAOPKUBJONV-IVCJQJMGSA-N
DB02320,6983-36-4,N-beta-D-glucopyranosylacetamide,experimental,,,,,,NBG,,,CHEMBL335315,50240802,,,445382,[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O,"InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1",IBONACLSSOLHFU-JAJWTYFOSA-N
DB02321,,"5-(3-Amino-4,4-Dihyroxy-Butylsulfanylmethyl)-Tetrahydro-Furan-2,3,4-Triol",experimental,,,,,,RHC,,ZINC000004096144,,,,90364,440041,N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1",IQFWYNFDWRYSRA-OEQWSMLSSA-N
DB02322,,Heparin Disaccharide I-S,experimental,,,,,,,,,,,,43053,5288499,[H][C@]1(O)O[C@]([H])(COS([O-])(=O)=O)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O,"InChI=1S/C12H19NO19S3/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-4/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1",LRPGJWKAYQRIAQ-GYBHJADLSA-J
DB02323,,EM-1745,experimental,,,,,,HYC,,ZINC000024617412,CHEMBL371948,50179201,,,446201,[H][C@]1(CCCCCCCCC(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)C[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])O,"InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1",CKSDYJASHNGOOS-KTXOUVACSA-N
DB02324,,5-Iodo-2'-Deoxyuridine-5'-Monophosphate,experimental,,,,,,5IU,,,CHEMBL1160594,50010242,,,449489,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(I)C(=O)NC1=O,"InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1",WXFYBFRZROJDLL-RRKCRQDMSA-N
DB02325,67-63-0,Isopropyl alcohol,"['approved', 'investigational']",,D08AX05,D00137,797541,PA450117,IPA,4215,ZINC000000901159,CHEMBL582,,ISOPROPANOL,17824,3776,CC(C)O,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",KFZMGEQAYNKOFK-UHFFFAOYSA-N
DB02326,,1-Hydroxyamine-2-Isobutylmalonic Acid,experimental,,,,,,HMI,,ZINC000003870806,,,,,6323374,CC(C)C[C@@H](C(O)=O)C(=O)NO,"InChI=1S/C7H13NO4/c1-4(2)3-5(7(10)11)6(9)8-12/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1",CINIOMOBGSHXRK-RXMQYKEDSA-N
DB02327,112-27-6,Triethylene glycol,experimental,,,,1368702,,PGE,,ZINC000001690436,CHEMBL1235259,,,44926,8172,OCCOCCOCCO,"InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2",ZIBGPFATKBEMQZ-UHFFFAOYSA-N
DB02328,,2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid,experimental,,,,,,HEN,,ZINC000103544596,,,,,,[H]\C(CP(O)(O)=O)=C(\[H])/C(=N\CC1=C(COP(O)(O)=O)C=NC(C)=C1O)/C(O)=O,"InChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5,16H,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2+,15-11+",VKWJKURKEYQKKW-ZCOJICPHSA-N
DB02329,5697-56-3,Carbenoxolone,experimental,15071189,"['A02BX71', 'A02BX51', 'A02BX01']",,2017,,CBO,493,ZINC000003977823,CHEMBL499915,50247012,BIOPLEX,,636403,[H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C(=O)C=C2[C@]4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C)OC(=O)CCC(O)=O,"InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1",OBZHEBDUNPOCJG-WBXJDKIVSA-N
DB02331,,"(2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid",experimental,,,,,,154,,ZINC000014880309,CHEMBL278785,50126669,,,447369,[H][C@@](CC1=CC=CC=C1)(N(CC1=CC=C(S1)C1=CC2=CC=CC=C2O1)C(=O)C1=C(Cl)C=C(Cl)C=C1)C(O)=O,"InChI=1S/C29H21Cl2NO4S/c30-20-10-12-22(23(31)16-20)28(33)32(24(29(34)35)14-18-6-2-1-3-7-18)17-21-11-13-27(37-21)26-15-19-8-4-5-9-25(19)36-26/h1-13,15-16,24H,14,17H2,(H,34,35)/t24-/m0/s1",YBULOUKTPCHXAL-DEOSSOPVSA-N
DB02332,,Flavin-N7 protonated-adenine dinucleotide,experimental,,,,,,FAE,,,,,,,,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C([NH3+])N=CN=C13)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/p+1/t14-,15+,16+,19-,20+,21+,26+/m0/s1",VWWQXMAJTJZDQX-UYBVJOGSSA-O
DB02333,,Deoxyuridine-5'-Triphosphate,experimental,,,,,,DUT,,ZINC000008215971,CHEMBL374361,50205416,,17625,65070,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",AHCYMLUZIRLXAA-SHYZEUOFSA-N
DB02334,,(R)-2-Hydroxy-3-Sulfopropanoic Acid,experimental,,,,,,3SL,,ZINC000004099158,,,,48291,443250,O[C@@H](CS(O)(=O)=O)C(O)=O,"InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",CQQGIWJSICOUON-REOHCLBHSA-N
DB02335,1779-81-3,2-Aminothiazoline,experimental,,,,,,ATQ,,ZINC000018354955,CHEMBL362148,50150920,,40889,15689,NC1=NCCS1,"InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)",REGFWZVTTFGQOJ-UHFFFAOYSA-N
DB02336,,RU83876,experimental,,,,,,876,,ZINC000026739713,CHEMBL319516,14697,,,447527,CC(=O)N[C@@H](CC1=CC(=C(C=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,"InChI=1S/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/m0/s1",WCMLXBUNHNAMNH-UIOOFZCWSA-N
DB02337,,S-(D-Carboxybutyl)-L-Homocysteine,experimental,,,,,,CBH,,ZINC000002047772,,,,,446994,N[C@@H](CCSCCCCC(O)=O)C(O)=O,"InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1",BMONDXDFXRPNKQ-ZETCQYMHSA-N
DB02338,53-57-6,NADPH,experimental,,,,,,NDP,,ZINC000008215411,CHEMBL407009,,,16474,134821689,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",ACFIXJIJDZMPPO-NNYOXOHSSA-N
DB02339,,Allyl-{6-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-Hexyl-}-Methyl-Amin,experimental,,,,,,R19,,ZINC000012501928,CHEMBL445353,50128045,,,447560,CN(CCCCCCOC1=CC=C2C(OC=C2C2=CC=C(Br)C=C2)=C1)CC=C,"InChI=1S/C24H28BrNO2/c1-3-14-26(2)15-6-4-5-7-16-27-21-12-13-22-23(18-28-24(22)17-21)19-8-10-20(25)11-9-19/h3,8-13,17-18H,1,4-7,14-16H2,2H3",JYNZIOFUHBJABQ-UHFFFAOYSA-N
DB02340,16354-58-8,N-Acetyl-Serine,experimental,,,,,,SAC,,ZINC000000158173,,,,45441,65249,CC(=O)N[C@@H](CO)C(O)=O,"InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1",JJIHLJJYMXLCOY-BYPYZUCNSA-N
DB02341,149859-17-6,"Mdl 101,146",experimental,,,,,,SEI,,ZINC000053683666,,,,,46936357,CC(C)[C@@H](NC(=O)C1=CC=C(C=C1)C(=O)N1CCOCC1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(F)(F)F,"InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21-,22-/m1/s1",XQAMVCHQGHAELT-YPAWHYETSA-N
DB02342,362-07-2,2-Methoxyestradiol,investigational,"['12587805', '16940808', '17415781', '17645459', '17631253', '17229934', '17252610']",,,,PA13496724,ESM,,ZINC000003818826,CHEMBL299613,50060957,2-METHOXYESTRADIOL,28955,66414,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3,"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",CQOQDQWUFQDJMK-SSTWWWIQSA-N
DB02343,4353-28-0,"3,6,9,12,15-Pentaoxaheptadecane",experimental,,,,,,P3G,,ZINC000005650744,,,,44751,78057,CCOCCOCCOCCOCCOCC,"InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3",HYDWALOBQJFOMS-UHFFFAOYSA-N
DB02345,10236-58-5,Selenocysteine,experimental,2941757,,,1549332,,SEC,,,CHEMBL109962,,,16633,25076,N[C@@H](C[SeH])C(O)=O,"InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",ZKZBPNGNEQAJSX-REOHCLBHSA-N
DB02346,,3'-O-N-Octanoyl-a-D-Glucopyranosyl-B-D-Fructofuranoside,experimental,,,,,,,,ZINC000016051512,,,,,448657,[H][C@]1(CO)O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(OC(=O)CCCCCCC)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(24)30-17-14(25)11(8-21)29-19(16(17)27)32-20(10-23)18(28)15(26)12(9-22)31-20/h11-12,14-19,21-23,25-28H,2-10H2,1H3/t11-,12-,14-,15-,16-,17+,18+,19-,20+/m1/s1",NMVDZWILYFXVBZ-PQJCEUABSA-N
DB02347,,2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid,experimental,,,,,,AT1,,ZINC000002047684,CHEMBL594840,50304093,,,447249,CC(C)(C)C1=C(C[C@H](N)C(O)=O)C(OCP(O)(O)=O)=NO1,"InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)/t7-/m0/s1",AGSOOCUNMTYPSE-ZETCQYMHSA-N
DB02348,15181-43-8,Monofluorophosphate ion,experimental,,,,1546445,,FPO,,,,,,42699,65241,[O-]P([O-])(F)=O,"InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2",DWYMPOCYEZONEA-UHFFFAOYSA-L
DB02349,,Nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline,experimental,,,,,,NHO,,ZINC000098209226,,,,,5289029,[H]N([H])[C@@H](CC(=O)[C@@H](O)C1=C(C=[N+](C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O)C(=O)N([H])[H])C(O)=O,"InChI=1S/C26H34N8O18P2/c27-11(26(42)43)3-12(35)16(36)9-1-2-33(4-10(9)22(29)41)24-19(39)17(37)13(50-24)5-48-53(44,45)52-54(46,47)49-6-14-18(38)20(40)25(51-14)34-8-32-15-21(28)30-7-31-23(15)34/h1-2,4,7-8,11,13-14,16-20,24-25,36-40H,3,5-6,27H2,(H6-,28,29,30,31,41,42,43,44,45,46,47)/p+1/t11-,13+,14+,16-,17+,18+,19+,20+,24+,25+/m0/s1",RSVNLFPFYXGAGU-GIBQRGJUSA-O
DB02350,,"N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide",experimental,,,,,,MM3,,ZINC000001488165,CHEMBL1234370,50408759,,,5288814,[H][C@@]1(N(CCCSC1(C)C)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,"InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1",CYYCSKFJEOSZTF-CYBMUJFWSA-N
DB02352,,3-(Benzyloxy)Pyridin-2-Amine,experimental,,,,,,3IP,,ZINC000018996118,CHEMBL194009,13337,,,90334,NC1=NC=CC=C1OCC1=CC=CC=C1,"InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)",NMCBWICNRJLKKM-UHFFFAOYSA-N
DB02353,,Heparin Disaccharide Iii-S,experimental,,,,,,,,,,,,42917,5288504,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O,"InChI=1S/C12H19NO16S2/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25)/p-3/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1",GSYQGRODWXMUOO-GYBHJADLSA-K
DB02354,,4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine,experimental,,,,,,R11,,ZINC000000591050,,17297,,,445756,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(CN1C(C)=NC3=C1C=CC=C3)=C2,"InChI=1S/C25H25N7/c1-16-29-20-5-3-4-6-23(20)32(16)15-17-7-12-22-21(13-17)30-24(31(22)2)14-28-19-10-8-18(9-11-19)25(26)27/h3-13,28H,14-15H2,1-2H3,(H3,26,27)",IRKPNOLLMNHSOU-UHFFFAOYSA-N
DB02355,,Adenosine-5'-Rp-Alpha-Thio-Triphosphate,experimental,,,,,,TAT,,,,,,,,[H][C@]1(CO[P@@](O)(=S)OP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30-/m1/s1",ROYJKVPBJVNHCQ-AJBXOXQOSA-N
DB02356,,4-Imidazolmethylene-5-Imidazolone Chromophore,experimental,,,,,,IIC,,ZINC000103546037,,,,,49867147,[H][C@](N)(CO)[C@@]1([H])N=C(CC2=CN=CN2)C(=O)N1CC(O)=O,"InChI=1S/C11H15N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7,10,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,10-/m0/s1",ZUHFMWFOPOTPRB-XVKPBYJWSA-N
DB02357,,Methyl-O3-(Alpha-D-Mannose)-Alpha-D-Mannose,experimental,,,,,,MDM,,ZINC000013508664,,,,,3080923,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OC)[C@@]2([H])O)[C@@]1([H])O,"InChI=1S/C13H24O11/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1",WOKXHOIRHHAHDA-ZEEOCKJESA-N
DB02358,,LY374571,experimental,,,,,,L37,,,,,,,135461001,[H]N([H])C1=NC(=O)C(N([H])[H])=C(N([H])C(=O)N([H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N1[H],"InChI=1S/C17H19N7O7/c18-11-12(22-16(19)24-14(11)28)23-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6,18H2,(H,21,27)(H,25,26)(H,29,30)(H5,19,20,22,23,24,28,31)/t9-/m0/s1",SZHRIPFGZWWRKW-VIFPVBQESA-N
DB02359,,"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine",experimental,,,,,,PU7,,ZINC000003832018,CHEMBL113194,15378,,,448969,CCCCN1C(CC2=CC(OC)=CC=C2OC)=NC2=C(N)N=CN=C12,"InChI=1S/C18H23N5O2/c1-4-5-8-23-15(22-16-17(19)20-11-21-18(16)23)10-12-9-13(24-2)6-7-14(12)25-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,19,20,21)",PPFZLLAIQRZNJE-UHFFFAOYSA-N
DB02360,,Bis-Napthyl Beta-Ketophosphonic Acid,experimental,,,,,,KTP,,ZINC000002047839,,,,,446833,[H][C@](C(=O)C1=CC2=CC=CC=C2C=C1)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O,"InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1",OFHMUASCSJJNNA-JOCHJYFZSA-N
DB02361,,S-Methyl Thiocysteine Group,experimental,,,,,,SCH,,,,,,,3080775,[H][C@](N)(CSSC)C(O)=O,"InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",PYFNLWPQPNXHCS-VKHMYHEASA-N
DB02362,150-13-0,Aminobenzoic acid,"['experimental', 'approved']",,"['D02BA01', 'D11AX23']",D02456,74,,PAB,2049,ZINC000000000920,CHEMBL542,50145829,POTASSIUM AMINOBENZOATE,194474,978,NC1=CC=C(C=C1)C(O)=O,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",ALYNCZNDIQEVRV-UHFFFAOYSA-N
DB02363,,2'-Monophosphoadenosine-5'-Diphosphate,experimental,,,,,,ATR,,ZINC000013523101,,,,,165230,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1",YPTPYQSAVGGMFN-KQYNXXCUSA-N
DB02364,,2-Amino-3-(Diethoxy-Phosphoryloxy)-Propionic Acid,experimental,,,,,,SDP,,ZINC000006595392,,,,,17754161,[H][C@](N)(COP(=O)(OCC)OCC)C(O)=O,"InChI=1S/C7H16NO6P/c1-3-12-15(11,13-4-2)14-5-6(8)7(9)10/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1",MOFCKRBDMJNCOC-LURJTMIESA-N
DB02365,66-71-7,"1,10-Phenanthroline",experimental,,,,1872047,,PHN,,ZINC000000164363,CHEMBL415879,50092158,,44975,1318,C1=CC2=CC=C3C=CC=NC3=C2N=C1,InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H,DGEZNRSVGBDHLK-UHFFFAOYSA-N
DB02366,,CRA_10762,experimental,,,,,,762,,ZINC000005974814,,14153,,,447484,NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1Cl,"InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)",RPGVMAPDADAHPV-UHFFFAOYSA-N
DB02367,,(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine,experimental,,,,,,111,,ZINC000003870354,CHEMBL358064,50095567,,,5287415,CCCCOC1=CC=C(C=C1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O,"InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/m0/s1",ULDXUWXTVRRUND-SWLSCSKDSA-N
DB02368,,N-Acetyl-L-Citrulline,experimental,,,,,,OLN,,ZINC000012494450,,,,49002,656979,CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O,"InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1",WMQMIOYQXNRROC-LURJTMIESA-N
DB02369,,"3-Aza-2,3-Dihydrogeranyl Diphosphate",experimental,,,,,,3AG,,,,,,,4469807,CN(CCO[P@]([O-])(=O)OP([O-])([O-])=O)CCC=C(C)C,"InChI=1S/C9H21NO7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3",UWHNDWYDKGVRGE-UHFFFAOYSA-K
DB02370,,Nz-(1-Carboxyethyl)-Lysine,experimental,,,,,,RF9,,ZINC000012501967,,,,,17754073,C[C@@H](NCCCC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1",XCYPSOHOIAZISD-RQJHMYQMSA-N
DB02371,7365-44-8,"2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid",experimental,,,,,,NES,,ZINC000001530141,,,,39036,6992013,OCC(CO)(CO)NCCS(O)(=O)=O,"InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)",JOCBASBOOFNAJA-UHFFFAOYSA-N
DB02372,,"2,5-Dimethylpyrimidin-4-Amine",experimental,,,,,,PYD,,ZINC000003591110,CHEMBL1235533,50016818,,,445779,CC1=CN=C(C)N=C1N,"InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)",UXKNAXNFIYFMIB-UHFFFAOYSA-N
DB02373,,Adenosine monotungstate,experimental,,,,,,AMW,,,,,,,,[H]N([H])C1=NC=NC2=C1N=CN2[C@]1([H])O[C@@]([H])(CO[W](O)(O)=O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);2*1H2;;/q-1;;;;+3/p-2/t4-,6-,7+,10+;;;;/m0..../s1",FJSJQPRHXPUMLC-LRDMJOKZSA-L
DB02374,,Xylose-Derived Imidazole,experimental,,,,,,XIM,,,,,,,445615,[H][C@@]1(O)CN2C=CN=C2[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1",QMHSBFMMOLGPGR-NGJCXOISSA-N
DB02375,529-44-2,Myricetin,experimental,,,,1368374,,MYC,,ZINC000003874317,CHEMBL164,15236,,18152,5281672,OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",IKMDFBPHZNJCSN-UHFFFAOYSA-N
DB02376,,"D-gluconhydroximo-1,5-lactam",experimental,,,,,,GOX,,,CHEMBL1213470,50120840,,,445248,[H][C@]1(O)C(NO)=N[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1",VBXHGXTYZGYTQG-SQOUGZDYSA-N
DB02377,73-40-5,Guanine,experimental,,,,1372539,,GUN,,ZINC000000895129,CHEMBL219568,50200094,GUANINE,16235,135398634,NC1=NC(=O)C2=C(N1)N=CN2,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N
DB02378,,MMI-175,experimental,,,,,,MMI,,ZINC000028353688,CHEMBL362592,16271,,,449218,CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC1=CC=CC=C1,"InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1",QJAPFAZHNSZLJE-CWURXVSKSA-N
DB02379,492-61-5,Beta-D-Glucose,experimental,,,D00009,1442190,,BGC,845,ZINC000003833800,CHEMBL1614854,50240803,,15903,64689,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",WQZGKKKJIJFFOK-VFUOTHLCSA-N
DB02380,890-38-0,Deoxyinosine,experimental,23408659,,,,,2ND,,ZINC000012493443,CHEMBL1229971,50421823,,28997,135398593,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC2=O,"InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1",VGONTNSXDCQUGY-RRKCRQDMSA-N
DB02381,189302-40-7,nor-NOHA,investigational,,,,,,NNH,,ZINC000002244322,CHEMBL1234777,50008099,,191070,26248652,N[C@@H](CCNC(=N)NO)C(O)=O,"InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1",KOBHCUDVWOTEKO-VKHMYHEASA-N
DB02382,,Namn,experimental,,,,,,NCN,,,,,,,121991,[H][C@]1(COP(O)([O-])=O)O[C@@]([H])([N+]2=CC=CC(=C2)C(O)=O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1",JOUIQRNQJGXQDC-ZYUZMQFOSA-N
DB02383,82964-04-3,Tolrestat,withdrawn,"['6422042', '3925146']",A10XA01,D02323,38386,,TOL,2704,ZINC000003780343,CHEMBL436,16314,,48549,53359,COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F,"InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)",LUBHDINQXIHVLS-UHFFFAOYSA-N
DB02384,,(E)-2-Fluoro-P-Hydroxycinnamate,experimental,,,,,,FHC,,,,,,,54708743,[H]\C(=C(/F)C(O)=O)C1=CC=C([O-])C=C1,"InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+",SBIZDOWXYPNTOJ-VMPITWQZSA-M
DB02385,10162-32-0,D-threo-neopterin,experimental,,,,,,NEO,,ZINC000018169010,,,,179056,135460965,NC1=NC2=NC=C(N=C2C(=O)N1)[C@@H](O)[C@H](O)CO,"InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m1/s1",BMQYVXCPAOLZOK-INEUFUBQSA-N
DB02386,,Leucine Phosphonic Acid,experimental,,,,,,PLU,,ZINC000002047807,CHEMBL40422,50190109,,,44288441,CC(C)C[C@H](N)P(O)(O)=O,"InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1",HGCAUCAWEADMPM-RXMQYKEDSA-N
DB02388,,"Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine",experimental,,,,,,880,,ZINC000012501995,CHEMBL437747,16016,,,447873,CCCN1C(=NC(=C1C1=CC=NC(NC2CCCCC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCNCC1,"InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)",UQFRSHRWRKYNDE-UHFFFAOYSA-N
DB02390,,5-Bromo-N[2-(Dimethylamino)Ethyl]-9-Aminoacridine-4-Carboxamide,experimental,,,,,,DA5,,,,,,,447088,C[NH+](C)CCNC(=O)C1=CC=CC2=C(N)C3=C([NH+]=C12)C(Br)=CC=C3,"InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2",NROQPXQSDDINMC-UHFFFAOYSA-P
DB02391,,"2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One",experimental,,,,,,GU7,,ZINC000003606143,,,,,135488878,NC1=NC2=C(N(CCNC(CO)CO)C=N2)C(=O)N1,"InChI=1S/C10H16N6O3/c11-10-14-8-7(9(19)15-10)16(5-13-8)2-1-12-6(3-17)4-18/h5-6,12,17-18H,1-4H2,(H3,11,14,15,19)",XYCDSKWPYZSIDU-UHFFFAOYSA-N
DB02393,,"D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate",experimental,,,,,,FDQ,,ZINC000005829950,,,,,444761,[H][C@]1(O)[C@]([H])(O)[C@]([H])(CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O,"InChI=1S/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1",YBOWGOLYQKBCFB-JGWLITMVSA-N
DB02394,,Oxiranpseudoglucose,experimental,,,,,,OPG,,ZINC000033821452,,,,,5289076,[H][C@@]12C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@]1(CO)O2,"InChI=1S/C7H12O5/c8-2-7-4(12-7)1-3(9)5(10)6(7)11/h3-6,8-11H,1-2H2/t3-,4+,5+,6-,7+/m0/s1",BDIDRHMZXLEMIZ-CXNFULCWSA-N
DB02395,,"3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol",experimental,,,,,,E09,,ZINC000005783546,,,,,1667,CN1C(CCCO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O,"InChI=1S/C15H18N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h7,18-19H,2-6,8H2,1H3",JCCDRCRHGKFTQS-UHFFFAOYSA-N
DB02396,624-78-2,Methylethylamine,experimental,,,,,,ETN,,ZINC000002031662,CHEMBL1232589,,,,12219,CCNC,"InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3",LIWAQLJGPBVORC-UHFFFAOYSA-N
DB02397,67262-86-6,O-(N-acetyl-alpha-D-galactosaminyl)-L-serine,experimental,,,,,,,,ZINC000005883995,CHEMBL1236347,,,53608,447272,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@H](N)C(O)=O,"InChI=1S/C11H20N2O8/c1-4(15)13-7-9(17)8(16)6(2-14)21-11(7)20-3-5(12)10(18)19/h5-9,11,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,7+,8-,9+,11-/m0/s1",REDMNGDGDYFZRE-WKWISIMFSA-N
DB02398,,6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine,experimental,,,,,,239,,ZINC000002047485,CHEMBL324168,50138662,,,447733,NCC1=CC=C(NC(=O)C2=CC=C3C=C(C=CC3=C2)C(N)=N)C=C1,"InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)",NLBDETRVUYOIHQ-UHFFFAOYSA-N
DB02399,488-28-8,L-Rhamnitol,experimental,,,,,,RNT,,ZINC000002046963,,,,45530,445052,C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO,"InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1",SKCKOFZKJLZSFA-BXKVDMCESA-N
DB02400,192820-78-3,ES-936,experimental,,,,,,936,,ZINC000000587989,CHEMBL357217,50316155,,,4470790,COC1=CC(=O)C2=C(C(COC3=CC=C(C=C3)[N+]([O-])=O)=C(C)N2C)C1=O,"InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3",IBLWSLZYYZHSRG-UHFFFAOYSA-N
DB02401,66313-36-8,"4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid",experimental,,,,,,OXQ,,ZINC000006523895,,23232,,,448650,OC(=O)C1=NON=C1O,"InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)",IBRWUZLLHSXPKL-UHFFFAOYSA-N
DB02402,,"5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine",experimental,,,,,,MQ1,,ZINC000012502021,,,,,447098,COC1=CC=C(OC2=CC=CC3=NC(N)=NC(N)=C23)C=C1,"InChI=1S/C15H14N4O2/c1-20-9-5-7-10(8-6-9)21-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)",CPZJZAIZIMCJRC-UHFFFAOYSA-N
DB02403,348-54-9,2-Fluoroaniline,experimental,,,,,,1AN,,ZINC000000157599,CHEMBL195328,50167958,,27526,9584,NC1=CC=CC=C1F,"InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",FTZQXOJYPFINKJ-UHFFFAOYSA-N
DB02404,,1-Deoxy-1-Thio-Heptaethylene Glycol,experimental,,,,,,PE7,,ZINC000005828797,,,,,446506,OCCOCCOCCOCCOCCOCCOCCS,"InChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2",ACMBXVJDKVNCGH-UHFFFAOYSA-N
DB02405,73367-80-3,12-Bromododecanoic Acid,experimental,,,,,,BRC,,ZINC000001637721,CHEMBL1231458,,,49519,175468,OC(=O)CCCCCCCCCCCBr,"InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)",YYKBWYBUCFHYPR-UHFFFAOYSA-N
DB02406,109-52-4,N-Valeric Acid,experimental,,,,,,LEA,,ZINC000031500905,CHEMBL268736,,,17418,7991,CCCCC(O)=O,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",NQPDZGIKBAWPEJ-UHFFFAOYSA-N
DB02407,,6-O-Cyclohexylmethyl Guanine,experimental,,,,,,CMG,,ZINC000003873285,CHEMBL269881,5485,,,4564,NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1,"InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)",MWGXGTJJAOZBNW-UHFFFAOYSA-N
DB02408,,"(3s)-3-Amino-1-(Cyclopropylamino)Heptane-2,2-Diol",experimental,,,,,,M1C,,ZINC000006379527,,,,,448219,[H][C@](N)(CCCC)C(O)(O)CNC1CC1,"InChI=1S/C10H22N2O2/c1-2-3-4-9(11)10(13,14)7-12-8-5-6-8/h8-9,12-14H,2-7,11H2,1H3/t9-/m0/s1",AYBDGNNJGBFOBQ-VIFPVBQESA-N
DB02409,,"(1r,4s)-2-Azabornane",experimental,,,,,,2BN,,,,,,,447260,[H][C@@]12CC[C@@](C)(NC1)C2(C)C,"InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m1/s1",OLTRGBMOWPXXIG-VXNVDRBHSA-N
DB02410,,"2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide",experimental,,,,,,HTL,,ZINC000013546639,,,,,4369479,CC(=O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,"InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1",GYRGKLZCJRVYRV-UHFFFAOYSA-O
DB02411,,"2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2",experimental,,,,,,HBH,,ZINC000014880333,CHEMBL1233239,13928,,,466959,CC(C)CCN(C[C@@H](O)[C@@H]1CC2=CC=C(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)C=C2)S(=O)(=O)C1=CC=CC=C1,"InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/m0/s1",HOUHLOFMBSYNBO-KKUQBAQOSA-N
DB02412,142-68-7,Tetrahydropyran,experimental,,,,,,PYE,,ZINC000001692451,,,,46941,8894,C1CCOCC1,InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,DHXVGJBLRPWPCS-UHFFFAOYSA-N
DB02413,,Hydroxyethylcysteine,experimental,,,,,,OCY,,ZINC000002525397,,,,,40424802,N[C@@H](CSCCO)C(O)=O,"InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1",MWFRVMDVLYIXJF-BYPYZUCNSA-N
DB02414,53109-32-3,Cyclo(his-pro),experimental,,,,,,CHQ,,ZINC000004899569,CHEMBL188225,,,90039,449094,[H][C@@]12CCCN1C(=O)[C@H](CC1=CN=CN1)NC2=O,"InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1",NAKUGCPAQTUSBE-IUCAKERBSA-N
DB02415,,N-Octyl-2-Hydroxyethyl Sulfoxide,experimental,,,,,,OES,,ZINC000014880337,,,,,9543425,CCCCCCCC[S@@](=O)CCO,"InChI=1S/C10H22O2S/c1-2-3-4-5-6-7-9-13(12)10-8-11/h11H,2-10H2,1H3/t13-/m1/s1",IRJUEMKMQDEOTQ-CYBMUJFWSA-N
DB02416,,"2-Ribofuranosyl-3-Iodo-2,3-Dihydro-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine",experimental,,,,,,RPP,,ZINC000033821509,,,,45448,17754151,[H][C@]1(I)NN(C2=NC=NC(N)=C12)[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C10H14IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-7,10,15,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,7+,10-/m1/s1",IPMOTTQXPAXTMS-CKVFBBIQSA-N
DB02417,118-79-6,"2,4,6-Tribromophenol",experimental,,,,,,TBP,,ZINC000000388234,CHEMBL220087,,,47696,1483,OC1=C(Br)C=C(Br)C=C1Br,"InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",BSWWXRFVMJHFBN-UHFFFAOYSA-N
DB02418,24347-58-8,"(R,R)-2,3-Butanediol",experimental,,,,,,BU9,,ZINC000012405152,,,,75460,220010,C[C@@H](O)[C@H](C)O,"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+",OWBTYPJTUOEWEK-ZXZARUISSA-N
DB02419,53074-96-7,Ethyl Oxo(Piperidin-1-Yl)Acetate,experimental,,,,,,E1P,,ZINC000002149356,,,,,104406,CCOC(=O)C(=O)N1CCCCC1,"InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3",ASBDXHCMVYVJQQ-UHFFFAOYSA-N
DB02420,,"[[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid,",experimental,,,,,,LO1,,,CHEMBL426815,,,,449125,NCC1=CC=C(NC(=O)C(O)=O)C=C1,"InChI=1S/C9H10N2O3/c10-5-6-1-3-7(4-2-6)11-8(12)9(13)14/h1-4H,5,10H2,(H,11,12)(H,13,14)",RKILOCCSAVHHJT-UHFFFAOYSA-N
DB02421,,Uridine-5'-diphosphate-mannose,experimental,,,,,,UFM,,,CHEMBL227711,50209666,,,448873,[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1=O,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12+,13-,14-/m1/s1",HSCJRCZFDFQWRP-NYYOCOOHSA-N
DB02422,,Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside,experimental,,,,,,,,ZINC000032304121,,,,,656957,[H][C@]1(CO)O[C@]([H])(OC)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1",WAYOKHSZGNFKSX-ZEEOCKJESA-N
DB02423,68488-87-9,Thiopyrophosphate,experimental,,,,,,PIS,,,,,,,5289158,OP(O)(=O)OP(O)([O-])=S,"InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1",HWTUHTNZLQJJEV-UHFFFAOYSA-M
DB02424,30562-34-6,Geldanamycin,"['experimental', 'investigational']",,,,,PA152031327,GDM,,ZINC000100064834,CHEMBL278315,50008059,GELDANAMYCIN,5292,5288382,CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O,"InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1",QTQAWLPCGQOSGP-KSRBKZBZSA-N
DB02425,29710-31-4,Hexadecyl Octanoate,experimental,,,,1306181,,CNS,,ZINC000114936741,,,,,589196,CCCCCCCCCCCCCCCOC(=O)CCCCCCC,"InChI=1S/C23H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-25-23(24)21-19-17-8-6-4-2/h3-22H2,1-2H3",IKYYXKWKFNBGJA-UHFFFAOYSA-N
DB02426,33286-30-5,Carboxyatractyloside,experimental,,,,,,CXT,,ZINC000096006053,,,,,46936378,CC(C)CC(=O)O[C@H]1[C@@H](O[C@@H]2C[C@]3(C)[C@H]4CC[C@@H]5C[C@@]4(CC[C@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@@H](COO)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O,"InChI=1S/C31H46O19S2/c1-14(2)9-21(32)48-24-23(50-52(42,43)44)22(49-51(39,40)41)18(13-45-38)47-26(24)46-17-11-29(4)19-6-5-16-10-30(19,25(33)15(16)3)8-7-20(29)31(12-17,27(34)35)28(36)37/h14,16-20,22-26,33,38H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37)(H,39,40,41)(H,42,43,44)/t16-,17-,18+,19-,20-,22+,23+,24-,25+,26+,29-,30-/m1/s1",CYBVQIBJEFQVPD-GWDNDVLHSA-N
DB02427,,"2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline",experimental,,,,,,COG,,ZINC000002047759,CHEMBL325434,50066490,,,447021,COC1=CC(CN(C)C2=CC=C3N=C(N)N=C(N)C3=C2)=C(OC)C=C1,"InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)",YBJANOUTWRTBDK-UHFFFAOYSA-N
DB02428,93-10-7,Quinaldic Acid,experimental,,,,,,QNC,,ZINC000000084153,CHEMBL1160559,,,18386,7124,OC(=O)C1=NC2=C(C=CC=C2)C=C1,"InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)",LOAUVZALPPNFOQ-UHFFFAOYSA-N
DB02429,,4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide,experimental,,,,,,INV,,,,12015,,,446237,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=C(F)C=C1,"InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)",IXDVPACDZDRCTN-UHFFFAOYSA-N
DB02430,4484-88-2,Trehalose-6-Phosphate,experimental,,,,,,,,ZINC000004228300,,,,18283,122336,OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1",LABSPYBHMPDTEL-LIZSDCNHSA-N
DB02431,65-47-4,Cytidine-5'-Triphosphate,experimental,,,,,,CTP,,ZINC000003861746,CHEMBL223533,50454133,,17677,6176,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",PCDQPRRSZKQHHS-XVFCMESISA-N
DB02432,,RU90395,experimental,,,,,,903,,ZINC000024662085,CHEMBL357488,14692,,,447522,COC(=O)C1=C(C=CC(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(CC3=CC=C(C=C3)C3=CC=CC=C3)C2=O)=C1)C(F)(C(O)=O)C(O)=O,"InChI=1S/C35H36FN3O9/c1-21(40)37-29(19-23-13-16-27(26(18-23)32(43)48-2)35(36,33(44)45)34(46)47)30(41)38-28-10-6-7-17-39(31(28)42)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-29H,6-7,10,17,19-20H2,1-2H3,(H,37,40)(H,38,41)(H,44,45)(H,46,47)/t28-,29-/m0/s1",RLLAUERCSKPFGD-VMPREFPWSA-N
DB02433,,"{[(2,2-Dihydroxy-Ethyl)-(2,3,4,5-Tetrahydroxy-6-Phosphonooxy-Hexyl)-Amino]-Methyl}-Phosphonic Acid",experimental,,,,,,PAI,,ZINC000033821456,,,,,5289106,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CC(O)O)CP(O)(O)=O,"InChI=1S/C9H23NO13P2/c11-5(1-10(2-7(13)14)4-24(17,18)19)8(15)9(16)6(12)3-23-25(20,21)22/h5-9,11-16H,1-4H2,(H2,17,18,19)(H2,20,21,22)/t5-,6-,8-,9-/m1/s1",ATILYNKCRYHYEP-SQEXRHODSA-N
DB02434,4653-11-6,4-(2-Thienyl)Butyric Acid,experimental,,,,,,4TB,,ZINC000000404469,CHEMBL1230333,,,40114,78386,OC(=O)CCCC1=CC=CS1,"InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)",VYTXLSQVYGNWLV-UHFFFAOYSA-N
DB02435,3218-02-8,Aminomethylcyclohexane,experimental,,,,,,AMC,,,,,,,448748,[NH3+]CC1CCCCC1,"InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2/p+1",AVKNGPAMCBSNSO-UHFFFAOYSA-O
DB02436,,{4-[(2S)-2-({[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid,experimental,,,,,,INZ,,ZINC000003874712,,13613,,,445784,CCCCCNC(=O)[C@H](CC1=CC=C(OC(C(O)=O)C(O)=O)C=C1)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C27H33N3O9/c1-2-3-7-14-28-23(31)20(15-18-10-12-19(13-11-18)39-22(25(34)35)26(36)37)29-27(38)30-21(24(32)33)16-17-8-5-4-6-9-17/h4-6,8-13,20-22H,2-3,7,14-16H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H,36,37)(H2,29,30,38)/t20-,21-/m0/s1",BKONADSQADEJJP-SFTDATJTSA-N
DB02437,,(5r)-5-Amino-6-Hydroxyhexylcarbamic Acid,experimental,,,,,,,,ZINC000034940874,,,,,17754062,N[C@H](CO)CCCCNC(O)=O,"InChI=1S/C7H16N2O3/c8-6(5-10)3-1-2-4-9-7(11)12/h6,9-10H,1-5,8H2,(H,11,12)/t6-/m0/s1",XHKWPAAHPLALGC-LURJTMIESA-N
DB02438,,3-O-Methylfructose in Linear Form,experimental,,,,,,3MF,,,,,,,449225,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(OC)C(=O)CO,"InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h4,6-10,12H,2-3H2,1H3/t4-,6-,7-/m1/s1",OFSVCCCZZQKHKQ-QPPQHZFASA-N
DB02441,,"2-Butyl-5,6-Dihydro-1h-Imidazo[4,5-D]Pyridazine-4,7-Dione",experimental,,,,,,BDI,,,CHEMBL280051,50125763,,,3465283,CCCCC1=NC2=C(N1)C(=O)NNC2=O,"InChI=1S/C9H12N4O2/c1-2-3-4-5-10-6-7(11-5)9(15)13-12-8(6)14/h2-4H2,1H3,(H,10,11)(H,12,14)(H,13,15)",DQHJYYALMHIEAH-UHFFFAOYSA-N
DB02442,,Dioxyselenocysteine,experimental,,,,,,SOC,,,,,,,49867669,[H][C@](N)(C[SeH](=O)=O)C(O)=O,"InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)/t2-/m0/s1",LQMXQNUAKTVFAG-REOHCLBHSA-N
DB02443,,Methicillin Acyl-Serine,experimental,,,,,,,,,,,,,131704202,[H][C@](N)(COC(=O)[C@@]([H])(N=C([O-])C1=C(OC)C=CC=C1OC)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1)C([O-])=O,"InChI=1S/C20H27N3O9S/c1-20(2)14(18(27)28)23-16(33-20)13(19(29)32-8-9(21)17(25)26)22-15(24)12-10(30-3)6-5-7-11(12)31-4/h5-7,9,13-14,16,23H,8,21H2,1-4H3,(H,22,24)(H,25,26)(H,27,28)/p-2/t9-,13-,14-,16+/m0/s1",GFYFFUGNPVBDAK-ZHBCMPEGSA-L
DB02445,,2-Deoxy-2-Amino Glucitol-6-Phosphate,experimental,,,,,,AGP,,ZINC000003870803,CHEMBL396380,,,,446113,[H][C@](N)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,"InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1",LBNVXZROMBUNNQ-SLPGGIOYSA-N
DB02446,1955-67-5,Glutamine hydroxamate,experimental,,,,,,HGA,,ZINC000002522574,CHEMBL63893,50129196,,75305,449178,N[C@@H](CCC(=O)NO)C(O)=O,"InChI=1S/C5H10N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",YVGZXTQJQNXIAU-VKHMYHEASA-N
DB02447,,"3,8,9,10-tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione",experimental,,,,,,GL5,,ZINC000003833816,CHEMBL611940,,,,445718,[H]N1C(=O)N(O)C(=O)[C@]11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C8H12N2O8/c11-1-2-3(12)4(13)5(14)8(18-2)6(15)10(17)7(16)9-8/h2-5,11-14,17H,1H2,(H,9,16)/t2-,3-,4+,5-,8+/m1/s1",IHDZZZHACPJCFJ-WWHASAIZSA-N
DB02448,638-53-9,N-Tridecanoic Acid,experimental,,,,,,TDA,,ZINC000001628119,CHEMBL107874,50511038,,45919,12530,CCCCCCCCCCCCC(O)=O,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",SZHOJFHSIKHZHA-UHFFFAOYSA-N
DB02449,,3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid,experimental,,,,,,DPS,,ZINC000003827526,CHEMBL91649,,,,444789,[H][C@@](CC1=CNC2=CC=CC=C12)(NS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C28H29N3O4S/c32-28(33)27(18-22-19-29-26-9-5-4-8-25(22)26)30-36(34,35)24-12-10-23(11-13-24)31-16-14-21(15-17-31)20-6-2-1-3-7-20/h1-13,19,21,27,29-30H,14-18H2,(H,32,33)/t27-/m0/s1",ULOTXPTWJAUGGE-MHZLTWQESA-N
DB02450,,"2-Benzo[1,3]Dioxol-5-Ylmethyl-3-Benzyl-Succinic Acid",experimental,,,,,,BYS,,ZINC000012080868,CHEMBL1231535,50488255,,,5496627,[H][C@@](CC1=CC=CC=C1)(C(O)=O)[C@]([H])(CC1=CC2=C(OCO2)C=C1)C(O)=O,"InChI=1S/C19H18O6/c20-18(21)14(8-12-4-2-1-3-5-12)15(19(22)23)9-13-6-7-16-17(10-13)25-11-24-16/h1-7,10,14-15H,8-9,11H2,(H,20,21)(H,22,23)/t14-,15-/m0/s1",ASEJDWRSZYAIOT-GJZGRUSLSA-N
DB02451,69984-73-2,B-nonylglucoside,experimental,,,,,,BNG,,ZINC000015609263,CHEMBL490225,,,,155448,CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1",QFAPUKLCALRPLH-UXXRCYHCSA-N
DB02452,365-08-2,Thymidine 5'-triphosphate,experimental,,,,,,TTP,,ZINC000008215959,CHEMBL363559,50164648,,18077,64968,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",NHVNXKFIZYSCEB-XLPZGREQSA-N
DB02453,,Antimonous acid,experimental,,,,,,SBO,,,,,,49870,19362114,[H]O[Sb](O[H])O[H],InChI=1S/3H2O.Sb/h3*1H2;/q;;;+3/p-3,SZOADBKOANDULT-UHFFFAOYSA-K
DB02454,,5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxytetrahydrofuran-3-Yl Dihydrogen Phosphate,experimental,,,,,,FA2,,ZINC000058638540,,,,,17753975,[H][C@@]1(CO[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]1([H])O)OP(O)(O)=O,"InChI=1S/C9H12N5O6P/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(15)4(1-19-9)20-21(16,17)18/h2-4,6,9,15H,1H2,(H2,10,11,12)(H2,16,17,18)/t4-,6+,9+/m0/s1",IJEJRDCFMFEDGL-AFEQZKEHSA-N
DB02455,,Fluoresceinylthioureido,experimental,,,,,,FLG,,ZINC000058631695,,,,,49866988,[H]N(CC)C(=S)N([H])C1=CC=C(C(=C1)C(O)=O)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1S/C23H18N2O5S/c1-2-24-23(31)25-12-3-6-15(18(9-12)22(28)29)21-16-7-4-13(26)10-19(16)30-20-11-14(27)5-8-17(20)21/h3-11,26H,2H2,1H3,(H,28,29)(H2,24,25,31)",VHJFQSRUDVDTEO-UHFFFAOYSA-N
DB02456,7075-11-8,Aracytidine 5'-monophosphate,experimental,,,,,,CAR,,ZINC000001785780,CHEMBL596186,31913,,,65177,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1",IERHLVCPSMICTF-CCXZUQQUSA-N
DB02457,,Undecyl-Phosphinic Acid Butyl Ester,experimental,,,,,,C11,,ZINC000014880356,,,,,46936391,[H][P@@](=O)(CCCCCCCCCCC)OCCCC,"InChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3",QCBLJDSWVGAXQB-UHFFFAOYSA-N
DB02458,26289-39-4,"S-(2,4-dinitrophenyl)glutathione",experimental,,,,,,GDN,,ZINC000003870210,CHEMBL1232997,,,8927,97535,[H][C@](N)(CCC(=O)N[C@@]([H])(CSC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1",FXEUKVKGTKDDIQ-UWVGGRQHSA-N
DB02459,16060-65-4,4-guanidinobenzoic acid,experimental,,,,,,GBS,,ZINC000000155851,CHEMBL20767,50014341,,125204,159772,NC(=N)NC1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)",SXTSBZBQQRIYCU-UHFFFAOYSA-N
DB02460,23599-55-5,Hydrogenobyrinic acid,experimental,,,,,,COJ,,ZINC000096077688,,,,17926,,[H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(\C)=C5/N[C@]1(C)[C@@](C)(CC(O)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O,"InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1",MYMATQFDUQLSCD-IPUCCYEASA-N
DB02461,,S-Methyl Phosphocysteine,experimental,,,,,,CYQ,,,CHEMBL175970,,,,192579,N[C@@H](CSCP(O)(O)=O)C(O)=O,"InChI=1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1",IIALWEPLPCANHU-VKHMYHEASA-N
DB02462,,Thiocoumarin,experimental,,,,,,FC1,,ZINC000012502122,,,,,657073,CN(C)CCCOC1=CC(=O)SC2=CC=CC=C12,"InChI=1S/C14H17NO2S/c1-15(2)8-5-9-17-12-10-14(16)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3",DIOZFKOOIBATNZ-UHFFFAOYSA-N
DB02463,,2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine,experimental,,,,,,124,,,,13942,,,1507,NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC=C2O)C=C1,"InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1",JPGNPKIYCTXJPG-UHFFFAOYSA-O
DB02464,100-46-9,Benzylamine,experimental,,,,,,ABN,,ZINC000006096244,CHEMBL522,10999,,40538,7504,NCC1=CC=CC=C1,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2",WGQKYBSKWIADBV-UHFFFAOYSA-N
DB02465,180509-15-3,Methoxy arachidonyl fluorophosphonate,experimental,,,,,,MAY,,ZINC000017654246,,,,,92536013,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC[P@](F)(=O)OC,"InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1",KWKZCGMJGHHOKJ-WTIHWRCNSA-N
DB02466,110368-35-9,BMS-181156,experimental,,,,,,156,,,CHEMBL95700,31887,,,445576,CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O,"InChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15H,13-14H2,1-4H3,(H,26,27)/b12-7+",ZXQHMEUGMCXKLO-KPKJPENVSA-N
DB02467,,L-methionine (S)-S-oxide,experimental,,,,,,MHO,,ZINC000003861729,,,,49031,10909908,[H]C([H])([H])[S@](=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H],"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1",QEFRNWWLZKMPFJ-MFXDVPHUSA-N
DB02468,,12-Phenylheme,experimental,,,,,,1FH,,,,,,,131704203,CC1C(C=C)C2=CC3=C(C)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(C)C(C=C)=C8N7[Fe++]6(N34)N2C1=C8C1=CC=CC=C1)C(C)=C5CCC(O)=O,"InChI=1S/C40H38N4O4.Fe/c1-7-26-24(6)39-38(25-12-10-9-11-13-25)40-27(8-2)21(3)32(43-40)18-30-22(4)28(14-16-36(45)46)34(41-30)20-35-29(15-17-37(47)48)23(5)31(42-35)19-33(26)44-39;/h7-13,18-20,24,26H,1-2,14-17H2,3-6H3,(H,45,46)(H,47,48);/q-4;+6/b30-18-,33-19-,34-20-,39-38-;",ULDWFUFUNJMSCJ-ZXHVEAKLSA-N
DB02469,,"4,6-dideoxy-4-amino-beta-D-glucopyranoside",experimental,,,,,,DAG,,,,,,,447845,[H][C@]1(C)O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N,"InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6-/m1/s1",RJKBJEZZABBYBA-VFUOTHLCSA-N
DB02470,,D-Glycero-D-Mannopyranose-7-Phosphate,experimental,,,,,,M7P,,ZINC000004097442,,,,43786,449154,[H][C@@](O)(COP(O)(O)=O)[C@@]1([H])O[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1",SDADNVAZGVDAIM-QTNLNCNHSA-N
DB02471,,Nojirimycine Tetrazole,experimental,,,,,,NTZ,,ZINC000017193216,,,,,445245,[H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5-/m1/s1",UCJXQRFJERKPOZ-SQOUGZDYSA-N
DB02472,,"7,8-dihydroinosine",experimental,,,,,,HPR,,ZINC000038321449,,,,,135509108,[H]N1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H],"InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1",ZWTNXGIZBOQCAJ-KQYNXXCUSA-N
DB02473,,"6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",experimental,,,,,,155,,ZINC000005962501,CHEMBL109367,50138667,,,447735,CC(C)C1=NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2,"InChI=1S/C24H24N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29)",XRHANBWAKSYPEN-UHFFFAOYSA-N
DB02474,,BMSC-0013,experimental,,,,,,233,,ZINC000006482316,,,,,447137,[H]N(CCCCCC(=O)N([H])[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)OC,"InChI=1S/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10+,11+,12-,13-/m1/s1",YTYAKGJMNHDUDF-UUWLPUTASA-N
DB02475,,Deoxyamidinoproclavaminic acid,experimental,,,,,,PCX,,ZINC000001530512,,,,15426,441123,NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O,"InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1",UYADDEKIZFRINK-LURJTMIESA-N
DB02477,164931-25-3,N-({4-[4-(2-Methyl-1H-imidazol-1-yl)butyl]phenyl}acetyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide,experimental,,,,,,MIM,,ZINC000014880363,CHEMBL6269,50034993,,,446385,CC1=NC=CN1CCCCC1=CC=C(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)C=C1,"InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1",WHLPIOSHBKQGHA-KYJUHHDHSA-N
DB02479,,(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide,experimental,,,,,,SBR,,ZINC000002547583,,,,,446276,[H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@@H](C)CN1C=CC2=CC=CC=C12,"InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m1/s1",ZFWHOUCRVSOZJE-CQSZACIVSA-N
DB02480,,(S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate,experimental,,,,,,SBH,,,CHEMBL185586,,,,17754158,C[C@@](O)(CBr)CCOP(O)(=O)OP(O)(O)=O,"InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/t5-/m0/s1",YKAYCWPQDPILSA-YFKPBYRVSA-N
DB02481,6343-54-0,N-Benzylformamide,experimental,,,,,,BNF,,ZINC000087515328,CHEMBL46293,50064288,,41117,80654,O=CNCC1=CC=CC=C1,"InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)",IIBOGKHTXBPGEI-UHFFFAOYSA-N
DB02482,,Phosphonothreonine,experimental,,,,,,D11,,ZINC000001574932,,,,,10976469,C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1",USRGIUJOYOXOQJ-STHAYSLISA-N
DB02483,,Etheno-NAD,experimental,,,,,,ENA,,,,,,,170119,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN2C=CN=C32)[C@@H](O)[C@H]1O,"InChI=1S/C23H27N7O14P2/c24-19(35)11-2-1-4-28(6-11)22-17(33)15(31)12(42-22)7-40-45(36,37)44-46(38,39)41-8-13-16(32)18(34)23(43-13)30-10-26-14-20-25-3-5-29(20)9-27-21(14)30/h1-6,9-10,12-13,15-18,22-23,31-34H,7-8H2,(H3-,24,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1",JCDBQDNBEQHDHK-BSLNIGMPSA-N
DB02484,,Cytidine 5'-diphosphoglycerol,experimental,,,,,,C2G,,ZINC000008551188,,,,,447253,[H]N([H])C1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)CO)[C@@H](O)[C@H]1O,"InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7+,9+,10+,11+/m0/s1",HHPOUCCVONEPRK-CNYIRLTGSA-N
DB02485,,Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid,experimental,,,,,,NCC,,ZINC000008215638,CHEMBL1234647,,,16556,448209,[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1",TXCIAUNLDRJGJZ-BILDWYJOSA-N
DB02486,1892-29-1,2-Hydroxyethyl Disulfide,experimental,,,,,,HED,,ZINC000001665970,CHEMBL1233278,,,43136,15906,OCCSSCCO,"InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2",KYNFOMQIXZUKRK-UHFFFAOYSA-N
DB02488,,1-(2-Ethanone)-2-Hydroxy-2-(1-Amino-2-Methyl-2-Ethanol)-4-(2-Dimethyl)Ethane-Imidazoline-5-One;Chromophore (Thr-Leu-Gly),experimental,,,,,,CR0,,ZINC000012502163,,,,,17753917,[H][C@](C)(O)[C@]([H])(N)[C@@]1(O)N=C(CC(C)C)C(=O)N1CC=O,"InChI=1S/C12H21N3O4/c1-7(2)6-9-11(18)15(4-5-16)12(19,14-9)10(13)8(3)17/h5,7-8,10,17,19H,4,6,13H2,1-3H3/t8-,10+,12-/m1/s1",WOCXRZLDLXIZRL-UBHAPETDSA-N
DB02489,5502-78-3,9-Methylguanine,experimental,,,,,,9MG,,ZINC000000039178,CHEMBL1230674,50143052,,,135403591,CN1C=NC2=C1N=C(N)NC2=O,"InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)",UUWJNBOCAPUTBK-UHFFFAOYSA-N
DB02490,,(Diaminomethyl-Methyl-Amino)-Acetic Acid,experimental,,,,,,IOM,,ZINC000019329420,,,,,4635864,CN(CC(O)=O)C(N)N,"InChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)",YNHURFGTTODJOO-UHFFFAOYSA-N
DB02491,,4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine,experimental,,,,,,AA2,,ZINC000012502169,CHEMBL233209,50206280,,,447622,CC(C)(N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(CCN3CCOCC3)C=C2)=NC=C1Cl,"InChI=1S/C25H30ClN5O/c1-25(2,27)20-7-5-19(6-8-20)23-22(26)17-28-24(30-23)29-21-9-3-18(4-10-21)11-12-31-13-15-32-16-14-31/h3-10,17H,11-16,27H2,1-2H3,(H,28,29,30)",CJSSYVIHFXDFFC-UHFFFAOYSA-N
DB02492,,Ghavamiol,experimental,,,,,,GHA,,,,,,,131704205,[H][C@@](O)(CN1C[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])CO)C([H])(CO)OS([O-])([O-])[O-],"InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1",YWOSRVQDYDWMAB-JBXPSPKUSA-K
DB02493,,Hydantocidin-5'-phosphate,experimental,,,,,,H5P,,ZINC000013507911,CHEMBL323799,50149203,,,446561,[H]N1C(=O)N([H])[C@@]2(O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C1=O,"InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1",HVXIMXHBUJADCC-GTBMBKLPSA-N
DB02494,20312-36-1,(S)-3-phenyllactic acid,experimental,,,,,,HFA,,ZINC000000388089,,,,43065,444718,O[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1",VOXXWSYKYCBWHO-QMMMGPOBSA-N
DB02495,,9-(4-hydroxybutyl)-N2-phenylguanine,experimental,"['20054446', '8955854']",,,,,BPG,,,CHEMBL406254,21866,,,135415618,OCCCCN1C=NC2=C1N=C(NC1=CC=CC=C1)NC2=O,"InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)",JHBXNPBKSPYOFT-UHFFFAOYSA-N
DB02496,190079-18-6,1-Deoxy-D-xylulose 5-phosphate,experimental,,,,,,DXP,,,CHEMBL1232414,,,16493,443201,CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1",AJPADPZSRRUGHI-RFZPGFLSSA-N
DB02497,,L-Alpha-Glycerophosphorylserine,experimental,,,,,,GSE,,,,,,64945,444182,[H][C@@](O)(CO)COP(O)(=O)OC[C@]([H])(N)C(O)=O,"InChI=1S/C6H14NO8P/c7-5(6(10)11)3-15-16(12,13)14-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13)/t4-,5+/m1/s1",ZWZWYGMENQVNFU-UHNVWZDZSA-N
DB02498,,Carba-nicotinamide-adenine-dinucleotide,experimental,,,,,,CNA,,ZINC000024666703,,,,,163884,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,"InChI=1S/C22H29N7O13P2/c23-19-14-21(26-8-25-19)29(9-27-14)22-18(33)17(32)13(41-22)7-40-44(37,38)42-43(35,36)39-6-11-4-12(16(31)15(11)30)28-3-1-2-10(5-28)20(24)34/h1-3,5,8-9,11-13,15-18,22,30-33H,4,6-7H2,(H5-,23,24,25,26,34,35,36,37,38)/p+1/t11-,12-,13-,15-,16+,17-,18-,22-/m1/s1",DGPLSUKWXXSBCU-VGXGLJSLSA-O
DB02499,,Dinor-N(Omega)-Hydroxy-L-Arginine,experimental,,,,,,DIR,,,,,,,657087,N[C@@H](C\N=C(/N)NO)C(O)=O,"InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1",RPHCSGPGZUWMRV-REOHCLBHSA-N
DB02500,,6-(Dihydroxy-Isobutyl)-Thymine,experimental,,,,,,CCV,,ZINC000002046904,,,,41485,1855,CC1=C(CC(CO)CO)NC(=O)NC1=O,"InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)",CLCPDSJUXHDRGX-UHFFFAOYSA-N
DB02501,,N(2)-succinyl-L-arginine,experimental,,,,,,SUG,,ZINC000001529628,,,,17705,439968,NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O,"InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1",UMOXFSXIFQOWTD-LURJTMIESA-N
DB02502,88847-89-6,8-hydroxy-2'-deoxyguanosine,experimental,,,,,,8HG,,ZINC000016051666,CHEMBL1230628,,,40304,135440064,NC1=NC2=C(N=C(O)N2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1,"InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1",HCAJQHYUCKICQH-VPENINKCSA-N
DB02503,,4-(Carboxyvin-2-Yl)Phenylboronic Acid,experimental,,,,,,CVB,,ZINC000169745114,CHEMBL139928,50067886,,,5288001,OB(O)C1=CC=C(\C=C\C(O)=O)C=C1,"InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+",IEMLKNHGGSYOMP-ZZXKWVIFSA-N
DB02504,,[3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid,experimental,,,,,,8IN,,ZINC000001540045,CHEMBL149502,50055341,,,3711,CC1=C(CC(N)=O)C2=C(C=CC(OCCCP(O)(O)=O)=C2)N1CC1=CC=CC=C1,"InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)",AQEYCNKFBRLUOT-UHFFFAOYSA-N
DB02505,,N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl),experimental,,,,,,IH4,,ZINC000014880389,CHEMBL1233569,50514502,,,657149,CCCCCC1=CC=C(C=C1)C(=O)N(CC1=CC=C(C=C1)C1=CC=C(CC(=O)OC)C=C1)C1CCN(CC2=NC=CN2)CC1,"InChI=1S/C37H44N4O3/c1-3-4-5-6-28-7-17-33(18-8-28)37(43)41(34-19-23-40(24-20-34)27-35-38-21-22-39-35)26-30-11-15-32(16-12-30)31-13-9-29(10-14-31)25-36(42)44-2/h7-18,21-22,34H,3-6,19-20,23-27H2,1-2H3,(H,38,39)",JJVQUUYZGJWBPW-UHFFFAOYSA-N
DB02506,,"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid",experimental,,,,,,ADD,,ZINC000033821183,,,,,17753820,[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC,"InChI=1S/C20H33NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-9,14-16,18-19H,10-13,21H2,1-4H3,(H,22,23)/t14-,15+,16+,18+,19+/m1/s1",SWTFXINHZPXNOX-DZBHQSCQSA-N
DB02508,,Isopentyl Pyrophosphate,experimental,,,,,,IPR,,ZINC000002579357,,,,,448400,CC(C)CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)",IPFXNYPSBSIFOB-UHFFFAOYSA-N
DB02509,4602-84-0,Farnesol,experimental,,,,1362903,,FOH,,ZINC000013507232,,,,42680,1549107,CC(C)=CCC\C(C)=C/CC\C(C)=C/CO,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11-",CRDAMVZIKSXKFV-FBXUGWQNSA-N
DB02510,,5'-O-(L-Prolylsulfamoyl)adenosine,experimental,,,,,,P5A,,ZINC000013542769,CHEMBL1163086,,,,447378,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COS(=O)(=O)N([H])C(=O)[C@@H]4CCCN4[H])[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C15H21N7O7S/c16-12-9-13(19-5-18-12)22(6-20-9)15-11(24)10(23)8(29-15)4-28-30(26,27)21-14(25)7-2-1-3-17-7/h5-8,10-11,15,17,23-24H,1-4H2,(H,21,25)(H2,16,18,19)/t7-,8+,10+,11+,15+/m0/s1",LKVJEMXWEODCAY-JVEUSOJLSA-N
DB02511,,2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine,experimental,,,,,,NBQ,,ZINC000012502206,,,,,17754104,[H][C@](N)(CC1=C(O)C=C(O)C(N\C(COC2=CC=C3C=CC=CC3=C2)=C\C=O)=C1)C(O)=O,"InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1",PZWMZAFFUAWVDN-CQXYXCHQSA-N
DB02512,,"1,6-Fructose Diphosphate (Linear Form)",experimental,,,,,,P6T,,ZINC000004523255,CHEMBL1235115,,,49093,189150,O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O,"InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6-/m1/s1",XPYBSIWDXQFNMH-PQLUHFTBSA-N
DB02513,89-83-8,Thymol,approved,,,D01039,10553,,IPB,4258,ZINC000000967597,CHEMBL29411,50240432,THYMOL,27607,6989,CC(C)C1=CC=C(C)C=C1O,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",MGSRCZKZVOBKFT-UHFFFAOYSA-N
DB02514,2007-07-0,(2Z)-3-{[Oxido(oxo)phosphoranyl]oxy}-2-phenylacrylate,experimental,,,,,,CP5,,,,,,,16133778,[O-]C(=O)C(=C/OP(=O)=O)\C1=CC=CC=C1,"InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6-",WSMRUPUEYOBWRC-VURMDHGXSA-M
DB02515,17989-41-2,sn-glycerol 3-phosphate,experimental,,,,,,G3P,,ZINC000003830896,CHEMBL1232920,,,15978,439162,OC[C@@H](O)COP(O)(O)=O,"InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1",AWUCVROLDVIAJX-GSVOUGTGSA-N
DB02516,,(R)-carnitinyl-CoA betaine,experimental,,,,,,CCQ,,,,,,41482,5287894,CC(C)(COP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C[N+](C)(C)C,"InChI=1S/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/t16-,17-,21-,22-,23+,27-/m1/s1",BBRISSLDTUHWKG-PVMHLSDZSA-N
DB02517,6893-26-1,D-Glutamic Acid,experimental,,,,1428878,,DGL,,ZINC000000895124,CHEMBL76232,26431,,15966,23327,N[C@H](CCC(O)=O)C(O)=O,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1",WHUUTDBJXJRKMK-GSVOUGTGSA-N
DB02518,97-69-8,N-Acetylalanine,experimental,,,,,,AYA,,ZINC000000114134,CHEMBL1231115,,,40992,88064,C[C@H](NC(C)=O)C(O)=O,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",KTHDTJVBEPMMGL-VKHMYHEASA-N
DB02519,244021-67-8,Indirubin-5-sulphonate,experimental,,,,,,INR,,,,,,,,[H]N1C(=O)\C(C2=C1C=CC(=C2)S(O)(=O)=O)=C1/N([H])C2=CC=CC=C2C1=O,"InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13-",IHBOEHLUIBMBMY-YPKPFQOOSA-N
DB02520,147-84-2,Ditiocarb,experimental,,,,1427193,,DCD,,ZINC000003633221,CHEMBL961,50428474,DITIOCARB,144353,8987,CCN(CC)C(S)=S,"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)",LMBWSYZSUOEYSN-UHFFFAOYSA-N
DB02521,479-05-0,Flaviolin,experimental,,,,,,FLV,,,CHEMBL1232770,50487951,,42646,,OC1=CC2=C(C(O)=C1)C(=O)C=C(O)C2=O,"InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H",RROPNRTUMVVUED-UHFFFAOYSA-N
DB02522,,Phosphonopyruvate,experimental,,,,,,PPR,,ZINC000004095926,,,,30935,439811,OC(=O)C(=O)CP(O)(O)=O,"InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)",CHDDAVCOAOFSLD-UHFFFAOYSA-N
DB02523,,"2-aminooxyethyl-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium",experimental,,,,,,AAD,,,,,,,49866595,[H][C@@]1(C[S+](C)CCON)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C13H21N6O4S/c1-24(3-2-22-15)4-7-9(20)10(21)13(23-7)19-6-18-8-11(14)16-5-17-12(8)19/h5-7,9-10,13,20-21H,2-4,15H2,1H3,(H2,14,16,17)/q+1/t7-,9+,10+,13+,24?/m0/s1",RMAOLICYOBWFLA-OCVRIJAPSA-N
DB02524,,"2',3'-O-{4-[Hydroxy(oxido)-λ5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate)",experimental,,,,,,128,,ZINC000096900390,,,,,644358,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@]4([H])OC5(O[C@@]34[H])C(=CC(C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O)C2=NC=N1,"InChI=1S/C16H17N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,25,26)(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/t7-,11-,12-,15-/m1/s1",XFMMHXLUHKBKQE-UHEGPQQHSA-N
DB02525,,"D-galactohydroximo-1,5-lactam",experimental,,,,,,GTL,,,,,,,448963,[H][C@]1(O)C(NO)=N[C@]([H])(CO)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3+,4+,5-/m1/s1",VBXHGXTYZGYTQG-MGCNEYSASA-N
DB02526,,CRA_10655,experimental,,,,,,655,,ZINC000012354873,CHEMBL303992,50115861,,,447480,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],"InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)",WCFWDBPDMBXMTQ-UHFFFAOYSA-N
DB02527,60-92-4,Cyclic adenosine monophosphate,experimental,,,,1314330,,CMP,,ZINC000003873977,CHEMBL316966,50384264,,17489,6076,NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1,"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",IVOMOUWHDPKRLL-KQYNXXCUSA-N
DB02528,,Tetrazolyl Histidine,experimental,,,,,,NZH,,ZINC000058638991,,,,,17754111,[H][C@](N)(CC1=CN(C=N1)C1=NNN=N1)C=O,"InChI=1S/C7H9N7O/c8-5(3-15)1-6-2-14(4-9-6)7-10-12-13-11-7/h2-5H,1,8H2,(H,10,11,12,13)/t5-/m0/s1",OOFNCFXOGMDAEN-YFKPBYRVSA-N
DB02529,,"(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)oxane-2-carboxylic acid",experimental,,,,,,G28,,ZINC000033821311,,,,,17753990,CCN(CC)C(=O)[C@@H]1O[C@H](C[C@H](N)[C@H]1NC(C)=O)C(O)=O,"InChI=1S/C13H23N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h8-11H,4-6,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,9+,10+,11+/m0/s1",BULFTXGJKXVMER-LNFKQOIKSA-N
DB02530,56-12-2,gamma-Aminobutyric acid,"['approved', 'investigational']",,,D00058,4617,,ABU,1262,ZINC000001532620,CHEMBL96,24183,.GAMMA.-AMINOBUTYRIC ACID,59888,6992099,NCCCC(O)=O,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",BTCSSZJGUNDROE-UHFFFAOYSA-N
DB02531,79-31-2,Isobutyric acid,experimental,,,,,,ALQ,,ZINC000000901420,CHEMBL108778,,,16135,6590,CC(C)C(O)=O,"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)",KQNPFQTWMSNSAP-UHFFFAOYSA-N
DB02532,,"2,4,6-Triaminoquinazoline",experimental,,,,,,TAQ,,ZINC000012343994,CHEMBL6885,50404663,,,292661,NC1=CC=C2N=C(N)N=C(N)C2=C1,"InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)",LJBWEZVYRBKOCI-UHFFFAOYSA-N
DB02534,1745-81-9,2-Allylphenol,experimental,,,,,,2LP,,ZINC000001576883,CHEMBL1229950,50490554,,39826,15624,OC1=CC=CC=C1CC=C,"InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2",QIRNGVVZBINFMX-UHFFFAOYSA-N
DB02535,,Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide,experimental,,,,,,EG2,,,,,,,2144,NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19)",QGGYVKRXFQLYQD-UHFFFAOYSA-N
DB02536,453-17-8,D-glyceraldehyde,experimental,,,,,,3GR,,ZINC000000895313,,,,17378,79014,OC[C@@H](O)C=O,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",MNQZXJOMYWMBOU-VKHMYHEASA-N
DB02537,,2-Hydroxy-5-({1-[(4-Methylphenoxy)Methyl]-3-Oxoprop-1-Enyl}Amino)-L-Tyrosine,experimental,,,,,,MBQ,,ZINC000103549492,,,,,52941757,[H]\C(C=O)=C(\COC1=CC=C(C)C=C1)NC1=C(O)C=C(O)C(C[C@]([H])(N)C(O)=O)=C1,"InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1",FSNBWEOGSXUNGF-CQMBDMNQSA-N
DB02538,,"N-[4-(2-Methylimidazo[1,2-a]Pyridin-3-Yl)-2-Pyrimidinyl]Acetamide",experimental,,,,,,HDU,,,CHEMBL99842,7642,,,447652,CC(=O)NC1=NC(=CC=N1)C1=C(C)N=C2C=CC=CN12,"InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)",ZCRPPLDDHBLUES-UHFFFAOYSA-N
DB02540,,"10-formyl-5,8,10-trideazafolic acid",experimental,,,,,,NHS,,ZINC000003870536,,,,,135460967,[H]N([H])C1=NC(=O)C2=C(C=CC(C[C@H](C(O)=O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H],"InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17-/m0/s1",DAOQLLQRJAXMGY-YOEHRIQHSA-N
DB02541,,4-Hydroxybutan-1-Aminium,experimental,,,,,,4HA,,,,,,,448524,[NH3+]CCCCO,"InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2/p+1",BLFRQYKZFKYQLO-UHFFFAOYSA-O
DB02542,,(4s)-5-Fluoro-L-Leucine,experimental,,,,,,LEF,,,,,,,15227560,C[C@H](CF)C[C@H](N)C(O)=O,"InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1",FHOARJRQRXAPOF-WHFBIAKZSA-N
DB02543,,Pyrrole-2-Carboxylate,experimental,,,,,,PYC,,ZINC000000158648,CHEMBL509027,50260723,,36751,12473,OC(=O)C1=CC=CN1,"InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)",WRHZVMBBRYBTKZ-UHFFFAOYSA-N
DB02544,,"N-(6-{[3-(4-Bromophenyl)-1,2-Benzisothiazol-6-Yl]Oxy}Hexyl)-N-Methylprop-2-En-1-Amine",experimental,,,,,,R79,,ZINC000001546452,CHEMBL67133,50128063,,,445992,CN(CCCCCCOC1=CC=C2C(SN=C2C2=CC=C(Br)C=C2)=C1)CC=C,"InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3",UCIDPJLYUKNYFZ-UHFFFAOYSA-N
DB02545,574013-66-4,Fexaramine,experimental,,,,,,FEX,,ZINC000013831232,CHEMBL192966,50167161,,80003,5326713,COC(=O)\C=C\C1=CC(=CC=C1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C)C(=O)C1CCCCC1,"InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+",VLQTUNDJHLEFEQ-KGENOOAVSA-N
DB02546,149647-78-9,Vorinostat,"['approved', 'investigational']",16928817,L01XX38,D06320,194337,PA164748224,SHH,4124,ZINC000001543873,CHEMBL98,19149,MK0683,45716,5311,ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1,"InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)",WAEXFXRVDQXREF-UHFFFAOYSA-N
DB02547,,Guanosine-5'-Diphosphate-Rhamnose,experimental,,,,,,GDR,,ZINC000008218184,CHEMBL1233001,,,17661,135398578,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1",LQEBEXMHBLQMDB-GDJBGNAASA-N
DB02548,20479-58-7,D-glucitol 6-phosphate,experimental,,,,,,S6P,,ZINC000002516111,,,,17044,152306,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1",GACTWZZMVMUKNG-SLPGGIOYSA-N
DB02549,,3'-O-Acetylthymidine-5'-diphosphate,experimental,,,,,,ATY,,ZINC000012502259,,,,,445182,[H]N1C(=O)N(C=C(C)C1=O)[C@H]1C[C@H](OC(C)=O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1,"InChI=1S/C12H18N2O12P2/c1-6-4-14(12(17)13-11(6)16)10-3-8(24-7(2)15)9(25-10)5-23-28(21,22)26-27(18,19)20/h4,8-10H,3,5H2,1-2H3,(H,21,22)(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1",UWSIAAWKEICIJY-IVZWLZJFSA-N
DB02550,,"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine",experimental,,,,,,PU1,,ZINC000001552694,CHEMBL112953,15381,,47628,448972,COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C1,"InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26)",KCIOVTSUEXGUFJ-UHFFFAOYSA-N
DB02551,,"6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",experimental,,,,,,497,,ZINC000024770217,,,,,447731,[H][C@]1(CC)CNCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2,"InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)/t14-/m0/s1",LVNMYQLXKMSQTG-AWEZNQCLSA-N
DB02552,,Geranyl Diphosphate,experimental,,,,,,GPP,,ZINC000008215849,CHEMBL41342,,,17211,445995,CC(C)=CCC\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O,"InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+",GVVPGTZRZFNKDS-JXMROGBWSA-N
DB02553,,Glutathionylspermidine disulfide,experimental,,,,,,TS4,,ZINC000195757935,,,,,449555,[H]N([H])CCCCN([H])CCCN([H])C(=O)CN([H])C(=O)[C@H](CSSC[C@H](N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O)C(=O)N([H])CC(=O)N([H])CCCN([H])CCCCN([H])[H])N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O,"InChI=1S/C34H66N12O10S2/c35-11-1-3-13-39-15-5-17-41-29(49)19-43-31(51)25(45-27(47)9-7-23(37)33(53)54)21-57-58-22-26(46-28(48)10-8-24(38)34(55)56)32(52)44-20-30(50)42-18-6-16-40-14-4-2-12-36/h23-26,39-40H,1-22,35-38H2,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H,45,47)(H,46,48)(H,53,54)(H,55,56)/t23-,24-,25+,26+/m1/s1",HCMZDPYSWPSKSP-XPGKHFPBSA-N
DB02554,,UDP-6-sulfoquinovose,experimental,,,,,,USQ,,ZINC000008419260,,,,15855,443244,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1",FQANCGQCBCUSMI-JZMIEXBBSA-N
DB02555,,SP4160,experimental,,,,,,FRI,,ZINC000053683837,,,,,656989,CC(C)C[C@@H](N=C(N)N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=C(Cl)C(Cl)=C(OCC2=CC=C(NC(C)=O)C=C2)C=C1,"InChI=1S/C33H42Cl2N8O4/c1-19(2)15-26(40-33(36)37)32(46)38-17-29(45)43-13-11-22(12-14-43)27-16-25(41-42(27)4)24-9-10-28(31(35)30(24)34)47-18-21-5-7-23(8-6-21)39-20(3)44/h5-10,16,19,22,26H,11-15,17-18H2,1-4H3,(H,38,46)(H,39,44)(H4,36,37,40)/t26-/m1/s1",VCXMTWSYQSVWRK-AREMUKBSSA-N
DB02556,673-06-3,D-Phenylalanine,experimental,11557028,,,,,DPN,,ZINC000000001927,CHEMBL379630,36161,,16998,71567,N[C@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",COLNVLDHVKWLRT-MRVPVSSYSA-N
DB02557,36357-77-4,Phosphoramidon,experimental,,,,,,RDF,,ZINC000004475339,CHEMBL479579,50251742,,45353,445114,CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1",ZPHBZEQOLSRPAK-XLCYBJAPSA-N
DB02558,,N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine,experimental,,,,,,OIR,,ZINC000015894751,,,,,448249,[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]([H])(S)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18+/m0/s1",CNILVMARPONFBX-JCGIZDLHSA-N
DB02559,,"6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine",experimental,,,,,,TQT,,ZINC000053683846,,,,,17754203,[H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2,"InChI=1S/C17H33N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h11-17,20-21H,1-10,18-19H2/t11-,12+,13+,14-,15-,16+,17+/m0/s1",HDQIGGQUKAQTGU-SZTTVXCBSA-N
DB02560,,[(1S)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron,experimental,,,,,,CLD,,ZINC000169748474,,,,,17753903,CC(=O)N[C@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)OC[C@H](N)C(O)=O,"InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12+/m0/s1",RJXOEUFRQATKAB-NWDGAFQWSA-N
DB02561,7660-25-5,Beta-D-Fructopyranose,experimental,,,,,,BDF,,ZINC000001532739,,,,48645,6992107,OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6-/m0/s1",LKDRXBCSQODPBY-FSIIMWSLSA-N
DB02562,79647-29-3,"Quinonoid 7,8-Tetrahydrobiopterin",experimental,,,,,,H2B,,,,,,140754,135398653,[H][C@@]1(CN=C2NC(N)=NC(=O)C2=N1)[C@@H](O)[C@H](C)O,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1",ZHQJVZLJDXWFFX-RPDRRWSUSA-N
DB02563,5060-32-2,Hexanoyl-CoA,experimental,,,,,,HXC,,ZINC000008551760,,,,27540,449118,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1",OEXFMSFODMQEPE-HDRQGHTBSA-N
DB02565,251456-60-7,4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide,experimental,,,,,,B3N,,ZINC000012502280,CHEMBL140000,50082665,,125562,3994,CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO,"InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)",MXWDSZWTBOCWBK-UHFFFAOYSA-N
DB02566,,8-Hydroxy-4-(1-Hydroxyethyl)Quinoline-2-Carboxylic Acid,experimental,,,,,,QUA,,ZINC000006929734,,,,,5289243,[H][C@@](C)(O)C1=CC(=NC2=C1C=CC[C@]2([H])O)C(O)=O,"InChI=1S/C12H13NO4/c1-6(14)8-5-9(12(16)17)13-11-7(8)3-2-4-10(11)15/h2-3,5-6,10,14-15H,4H2,1H3,(H,16,17)/t6-,10-/m0/s1",FCGZNXGKWUHBKD-WKEGUHRASA-N
DB02567,,PD173955,experimental,,,,,,P17,,ZINC000002047743,CHEMBL386051,6568,,49791,447077,CSC1=CC=CC(NC2=NC=C3C=C(C(=O)N(C)C3=N2)C2=C(Cl)C=CC=C2Cl)=C1,"InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)",VAARYSWULJUGST-UHFFFAOYSA-N
DB02568,133432-71-0,Peldesine,investigational,,,,,,BC3,,ZINC000005420970,CHEMBL311300,50039542,PELDESINE,,135413525,NC1=NC(=O)C2=C(N1)C(CC1=CN=CC=C1)=CN2,"InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)",DOHVAKFYAHLCJP-UHFFFAOYSA-N
DB02569,,"2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Diphosphate",experimental,,,,,,D4D,,ZINC000012502287,CHEMBL405730,,,,461279,CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O,"InChI=1S/C10H14N2O10P2/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(21-8)5-20-24(18,19)22-23(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1",LXCAIISEDMYORY-JGVFFNPUSA-N
DB02570,,PD150606,experimental,,,,,,ISA,,ZINC000003873623,,,,,444306,[H][C@](S)(CC1=CC=C(I)C=C1)C(O)=O,"InChI=1S/C9H9IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8,13H,5H2,(H,11,12)/t8-/m0/s1",MXQYDIIKDPMYMF-QMMMGPOBSA-N
DB02571,6665-12-9,Allysine,experimental,,,,,,DO2,,ZINC000001529204,,,,58321,160603,[H]C(=O)CCC[C@H](N)C(O)=O,"InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1",GFXYTQPNNXGICT-YFKPBYRVSA-N
DB02572,,"1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane",experimental,,,,,,BV4,,,,,,,135678080,NC(CO\C(O)=N\CCCOCCOCCOCCCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(OC4OC(CO)C(O)C(O)C4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O)CO\C(O)=N\CCCOCCOCCOCCCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O,"InChI=1S/C79H123N15O32/c80-53(49-121-78(109)87-15-7-31-117-35-39-119-37-33-115-29-5-13-83-62-60(66(99)68(62)101)81-9-1-17-89-21-25-91(26-22-89)19-3-11-85-74(107)51-41-54(93(111)112)45-56(43-51)123-76-72(105)70(103)64(97)58(47-95)125-76)50-122-79(110)88-16-8-32-118-36-40-120-38-34-116-30-6-14-84-63-61(67(100)69(63)102)82-10-2-18-90-23-27-92(28-24-90)20-4-12-86-75(108)52-42-55(94(113)114)46-57(44-52)124-77-73(106)71(104)65(98)59(48-96)126-77/h41-46,53,58-59,64-65,70-73,76-77,81-84,95-98,103-106H,1-40,47-50,80H2,(H,85,107)(H,86,108)(H,87,109)(H,88,110)/t53?,58-,59?,64+,65?,70+,71?,72-,73?,76+,77?/m1/s1",BPHYTQORKHDHAH-OHNHNXIVSA-N
DB02573,,"2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate",experimental,,,,,,CPA,,ZINC000015894754,CHEMBL1088749,50481952,,165811,448286,[H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](CO)O1,"InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1",LYWWDKIADIGKTH-IDMWBNCISA-N
DB02574,,BV2,experimental,,,,,,BV2,,,,,,,131704208,NC(COC(=O)NCCCN1CCN(CCCNC(=O)C2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)[N+]([O-])=O)CC1)COC(=O)NCCCN1CCN(CCCNC(=O)C2=CC(=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)[N+]([O-])=O)CC1,"InChI=1S/C51H79N11O22/c52-33(29-79-50(73)55-7-3-11-59-17-13-57(14-18-59)9-1-5-53-46(71)31-21-34(61(75)76)25-36(23-31)81-48-44(69)42(67)40(65)38(27-63)83-48)30-80-51(74)56-8-4-12-60-19-15-58(16-20-60)10-2-6-54-47(72)32-22-35(62(77)78)26-37(24-32)82-49-45(70)43(68)41(66)39(28-64)84-49/h21-26,33,38-45,48-49,63-70H,1-20,27-30,52H2,(H,53,71)(H,54,72)(H,55,73)(H,56,74)/t33?,38-,39?,40+,41?,42+,43?,44-,45?,48+,49?/m1/s1",RJLCAAJYVGPDFG-LNGNCPBTSA-N
DB02576,78-96-6,F-Loop of Vitamin B12,experimental,,,,,,FOP,,,,,,,7311735,C[C@H](O)C[NH3+],"InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m0/s1",HXKKHQJGJAFBHI-VKHMYHEASA-O
DB02577,,Mesoheme,experimental,,,,,,,,,,,,,,CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5N6C(=CC7=C(C=C)C(C)=C8C=C1N2[Fe++]6(N34)N78)C(C)=C5C=C,"InChI=1S/C34H32N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+6/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",RDYBSUHKGWXPFR-RGGAHWMASA-N
DB02578,,N-[(6S)-6-Carboxy-6-(glycylamino)hexanoyl]-D-alanyl-D-alanine,experimental,,,,,,REX,,ZINC000015599994,,,,,5289280,[H]N([H])CC(=O)N([H])[C@@H](CCCCC(=O)N([H])[C@H](C)C(=O)N([H])[C@H](C)C(O)=O)C(O)=O,"InChI=1S/C15H26N4O7/c1-8(13(22)18-9(2)14(23)24)17-11(20)6-4-3-5-10(15(25)26)19-12(21)7-16/h8-10H,3-7,16H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)(H,23,24)(H,25,26)/t8-,9-,10+/m1/s1",RALBRZJHHGWNNU-BBBLOLIVSA-N
DB02579,79-10-7,Acrylic Acid,experimental,,,,1364500,,AKR,,ZINC000000895281,CHEMBL1213529,,,18308,19966351,OC(=O)C=C,"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)",NIXOWILDQLNWCW-UHFFFAOYSA-N
DB02580,1191-87-3,Pentaglyme,experimental,,,,,,PG6,,ZINC000004530388,,,,44934,70931,COCCOCCOCCOCCOCCOC,"InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3",DMDPGPKXQDIQQG-UHFFFAOYSA-N
DB02581,,"N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide",experimental,,,,,,FRH,,ZINC000003990365,CHEMBL429852,,,47417,5288251,CC(C)C[C@@H](NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=CC=C(OCC2=CC=C(O2)C(O)=O)C(Cl)=C1Cl,"InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36)/t21-/m1/s1",VNZHOIDQBPFEJU-OAQYLSRUSA-N
DB02582,,(6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine,experimental,,,,,,CDH,,,,,,,131704210,[H][C@@](N=C(O)C(CS)N=C(O)CCCC(N)C(O)=O)(C(C)=C)C(O)=O,"InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h8-9,11,24H,1,3-6,15H2,2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8?,9?,11-/m1/s1",BGZJEMYSINIAHS-NWGYLPEXSA-N
DB02583,175354-76-4,"N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine",experimental,,,,,,PRD,,,CHEMBL32113,50051913,,,444617,COC1=CC(CN(C)C2=CC3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1,"InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)",HZTFNSCZLJLPEO-UHFFFAOYSA-N
DB02585,,4-(Hydroxymethyl)Benzamidine,experimental,,,,,,4BZ,,ZINC000006535656,CHEMBL184048,50153443,,,448513,NC(=N)C1=CC=C(CO)C=C1,"InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)",WHMKAFNJMLEDSN-UHFFFAOYSA-N
DB02586,3248-05-3,"4,7-Dimethyl-[1,10]Phenanthroline",experimental,,,,,,DPT,,ZINC000000120461,CHEMBL593442,50401348,,,72792,CC1=CC=NC2=C3N=CC=C(C)C3=CC=C12,"InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3",JIVLDFFWTQYGSR-UHFFFAOYSA-N
DB02587,66575-29-9,Colforsin,"['experimental', 'investigational']",,,D03584,,PA146096022,FOK,,ZINC000003977779,CHEMBL52606,50010261,FORSKOLIN,42471,47936,[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C,"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1",OHCQJHSOBUTRHG-KGGHGJDLSA-N
DB02588,,"(2R)-2-[(1R)-1-{[(2S)-2-Carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid",experimental,,,,,,MOX,,ZINC000015529397,,,,,131704211,COC(NC(=O)[C@@H](C(O)=O)C1=CC=C(O)C=C1)(C=O)[C@H]1OCC(=C)C(=N1)C(O)=O,"InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1",GOYCBKVVHGALFQ-RZAIGCCYSA-N
DB02589,,Se-Ethyl-Isoselenourea,experimental,,,,,,ISU,,,,,,,449633,CC[Se]C(N)=N,"InChI=1S/C3H8N2Se/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)",FFKYNFXDBBLWGF-UHFFFAOYSA-N
DB02590,56816-60-5,Abequose,experimental,,,,,,ABE,,,,,,59992,447147,[H][C@@]1(O)C[C@@]([H])(O)[C@@]([H])(O)O[C@]1([H])C,"InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1",KYPWIZMAJMNPMJ-KAZBKCHUSA-N
DB02591,582-60-5,"5,6-Dimethylbenzimidazole",experimental,,,,,,DMD,,ZINC000000388593,CHEMBL351132,50208872,,15890,675,CC1=CC2=C(C=C1C)N=CN2,"InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)",LJUQGASMPRMWIW-UHFFFAOYSA-N
DB02592,,Carbaphosphonate,experimental,,,,,,CRB,,,,,,,445131,[H][C@@]1(O)C[C@@](O)(C[C@]([H])(CP(O)(O)=O)[C@@]1([H])O)C(O)=O,"InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6-,8+/m1/s1",BKLICLLAHMTUPK-UNGCPHIMSA-N
DB02593,,"7,8-Dihydroxy-1-Methoxy-3-Methyl-10-Oxo-4,10-Dihydro-1h,3h-Pyrano[4,3-B]Chromene-9-Carboxylic Acid",experimental,,,,,,113,,ZINC000003973878,,,,,5287417,[H][C@]1(C)CC2=C(C(=O)C3=C(O2)C=C(O)C(O)=C3C(O)=O)[C@]([H])(OC)O1,"InChI=1S/C15H14O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h4-5,15-17H,3H2,1-2H3,(H,19,20)/t5-,15+/m0/s1",RSFJMLCZHPZXCW-AANKLQPISA-N
DB02594,951-77-9,2'-Deoxycytidine,"['experimental', 'investigational']",,,,,,DCZ,,ZINC000018286013,CHEMBL66115,50367094,DEOXYCYTIDINE,15698,13711,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",CKTSBUTUHBMZGZ-SHYZEUOFSA-N
DB02595,92953-54-3,"(2R,3S,5S)-2-(Hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]-3-pyrrolidiniumyl 2-acetamido-2-deoxy-4-O-sulfo-beta-D-glucopyranoside",experimental,,,,,,BLG,,,,,,,101059193,[H]N(CCS(O)(=O)=O)C(=O)[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]2N([H])C(C)=O)[C@@H](CO)[N+]1([H])[H],"InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1",RPNZWZDLNYCCIG-HMMVDTEZSA-O
DB02596,7292-42-4,"alpha,beta-Methyleneadenosine 5'-triphosphate",experimental,,,,,,APC,,ZINC000008295117,CHEMBL132722,50118221,,35056,91557,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1",CAWZRIXWFRFUQB-IOSLPCCCSA-N
DB02597,,"[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala",experimental,,,,,,TI1,,ZINC000006352218,,,,,5289469,[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@@]([H])(S)CCCCC)C(O)=O,"InChI=1S/C19H28N2O4S/c1-3-4-6-11-16(26)18(23)21-15(12-14-9-7-5-8-10-14)17(22)20-13(2)19(24)25/h5,7-10,13,15-16,26H,3-4,6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15-,16-/m0/s1",GOIYKVXXGCPHQU-BPUTZDHNSA-N
DB02598,,"N-Alpha-Acetyl-3,5-Diiodotyrosylglycine",experimental,,,,,,IYG,,ZINC000014880426,,,,,447701,CC(=O)N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)NCC(O)=O,"InChI=1S/C13H14I2N2O5/c1-6(18)17-10(13(22)16-5-11(19)20)4-7-2-8(14)12(21)9(15)3-7/h2-3,10,21H,4-5H2,1H3,(H,16,22)(H,17,18)(H,19,20)/t10-/m0/s1",SXRYVFRVDCDPKH-JTQLQIEISA-N
DB02599,,"2,6-Diamino-8-Propylsulfanylmethyl-3h-Quinazoline-4-One",experimental,,,,,,APQ,,ZINC000005838995,,,,,135461936,CCCSCC1=CC(N)=CC2=C1N=C(N)NC2=O,"InChI=1S/C12H16N4OS/c1-2-3-18-6-7-4-8(13)5-9-10(7)15-12(14)16-11(9)17/h4-5H,2-3,6,13H2,1H3,(H3,14,15,16,17)",RSKNEWMEOVQZII-UHFFFAOYSA-N
DB02600,187227-45-8,Oseltamivir acid,experimental,,,,1546279,,G39,,ZINC000003929509,CHEMBL674,4994,,73139,449381,CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O,"InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1",NENPYTRHICXVCS-YNEHKIRRSA-N
DB02601,37784-25-1,4-Hydroxyphenylglycine,experimental,,,,,,,,,CHEMBL130865,,,50418,25245501,NC(C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)",LJCWONGJFPCTTL-UHFFFAOYSA-N
DB02602,,AL7182,experimental,,,,,,AL1,,ZINC000003870866,CHEMBL331858,11935,,,1604,COC1=CC(=CC=C1)N1CCC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,"InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17)",ICIXQGGQPKFQRL-UHFFFAOYSA-N
DB02603,,1-Amino-6-Cyclohex-3-Enylmethyloxypurine,experimental,,,,,,207,,ZINC000020149007,,,,,445967,NC1=NC(OCC2CCCCC2)=C2N=CNC2=C1,"InChI=1S/C13H18N4O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,14,17)(H,15,16)",VPUIDVRYMVIXGO-UHFFFAOYSA-N
DB02604,,2-Deoxy-Glucose-6-Phosphate,experimental,,,,,,0NZ,,ZINC000004097096,,,,,46936435,O[C@H]1C[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1",UQJFZAAGZAYVKZ-KAZBKCHUSA-N
DB02606,78-92-2,2-Butanol,"['experimental', 'investigational']",,,,,,SBT,,ZINC000001622055,,,,35686,84682,CC[C@@H](C)O,"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1",BTANRVKWQNVYAZ-SCSAIBSYSA-N
DB02607,,Adenosine Phosphonoacetic Acid,experimental,,,,,,SON,,ZINC000016051493,CHEMBL1236003,,,,448505,[H][C@]1(COC(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C12H16N5O8P/c13-10-7-11(15-3-14-10)17(4-16-7)12-9(20)8(19)5(25-12)1-24-6(18)2-26(21,22)23/h3-5,8-9,12,19-20H,1-2H2,(H2,13,14,15)(H2,21,22,23)/t5-,8-,9-,12-/m1/s1",KJNLSEOJEFDELT-JJNLEZRASA-N
DB02608,4423-58-9,"N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]acetamide",experimental,,,,,,CLC,,ZINC000000174039,,,,,247978,[H]N([C@H](CO)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O)C(C)=O,"InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)/t10-,11-/m1/s1",PIVQDUYOEIAFDM-GHMZBOCLSA-N
DB02609,,4-Hydroxy-L-Threonine-5-Monophosphate,experimental,,,,,,4TP,,,,,,18336,440901,N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O,"InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1",FKHAKIJOKDGEII-GBXIJSLDSA-N
DB02610,,"N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide",experimental,,,,,,FFB,,,,12023,,,445770,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C(F)=C1F,"InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)",LRKSHOLYETXPGY-UHFFFAOYSA-N
DB02611,,Balanol Analog 1,experimental,,,,,,B1L,,ZINC000003936634,,,,,448326,[H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(O)C=C1)NC(=O)C1=CC=C(O)C=C1,"InChI=1S/C20H22N2O5/c23-15-7-3-13(4-8-15)19(25)22-17-12-21-11-1-2-18(17)27-20(26)14-5-9-16(24)10-6-14/h3-10,17-18,21,23-24H,1-2,11-12H2,(H,22,25)/t17-,18-/m1/s1",FZJQHARRQUNVGZ-QZTJIDSGSA-N
DB02613,2605-79-0,Capric dimethyl amine oxide,experimental,,,,1494854,,DDQ,,ZINC000001849937,CHEMBL1232157,,,41899,62452,CCCCCCCCCC[N+](C)(C)[O-],"InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3",ZRKZFNZPJKEWPC-UHFFFAOYSA-N
DB02614,,1(R)-1-Acetamido-2-(3-Carboxyphenyl)Ethyl Boronic Acid,experimental,,,,,,BJI,,ZINC000169748475,CHEMBL1231367,50526862,,,5287795,[H][C@@](CC1=CC=CC(=C1)C(O)=O)(NC(C)=O)B(O)O,"InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1",OBZSRKUYUGJGIM-JTQLQIEISA-N
DB02615,,Compound 19,experimental,,,,,,AIT,,ZINC000012502349,CHEMBL180792,50157165,,,449209,[H][C@@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1,"InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26+,27-/m1/s1",UZOOIPXOYYJULJ-BLIZRMSTSA-N
DB02616,,FR117016,experimental,,,,,,FR0,,ZINC000015796001,CHEMBL93647,22918,,,447339,NC(N)=NC1=NC(=CS1)C1=CC=C(CNC2=NC3=C(N2)C=CC=C3)S1,"InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23)",CKJGKHXCUDWFDC-UHFFFAOYSA-N
DB02617,,"1-(N-Imidazolyl)-2-Hydroxy-2-(2,3-Dichlorophenyl)Octane",experimental,,,,,,PFZ,,,,,,,5289140,CCCCCC[C@](O)(CN1C=CN=C1)C1=CC=C(Cl)C=C1Cl,"InChI=1S/C17H22Cl2N2O/c1-2-3-4-5-8-17(22,12-21-10-9-20-13-21)15-7-6-14(18)11-16(15)19/h6-7,9-11,13,22H,2-5,8,12H2,1H3/t17-/m0/s1",WJBNLGBHMWNHRZ-KRWDZBQOSA-N
DB02618,,Ethyl Dimethyl Ammonio Propane Sulfonate,experimental,,,,,,NDS,,,CHEMBL1234674,50007995,,,5221296,CC[N+](C)(C)CCCS([O-])(=O)=O,"InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3",NNCRHRDBFDCWPA-UHFFFAOYSA-N
DB02619,3344-77-2,12-Bromo-1-dodecanol,experimental,,,,,,BDD,,ZINC000002047662,CHEMBL1231267,,,,137895,[H]OCCCCCCCCCCCCBr,"InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2",ASIDMJNTHJYVQJ-UHFFFAOYSA-N
DB02620,,3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid,experimental,,,,,,964,,ZINC000012502356,,,,,447450,CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C1=NC=CN=C1C(O)=O,"InChI=1S/C19H27N5O5S2/c1-12(25)20-8-10-30-31-11-9-23-17(26)13-2-4-14(5-3-13)24-18(27)15-16(19(28)29)22-7-6-21-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,25)(H,23,26)(H,24,27)(H,28,29)",OMSKFAYIWROESZ-UHFFFAOYSA-N
DB02621,76343-93-6,Latrunculin A,experimental,"['19528469', '3556584', '17327257']",,,,,LAR,,ZINC000005766575,CHEMBL404116,65515,,69136,445420,[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/C=C/CC\C(C)=C/C(=O)O2)O1,"InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1",DDVBPZROPPMBLW-IZGXTMSKSA-N
DB02622,,2-(Oxalyl-Amino)-Benzoic Acid,experimental,,,,,,OBA,,ZINC000002007905,CHEMBL139050,50118789,,44493,444764,OC(=O)C(=O)NC1=C(C=CC=C1)C(O)=O,"InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)",QBYNNSFEMMNINN-UHFFFAOYSA-N
DB02623,,Aminophosphonic acid-guanylate ester,experimental,,,,,,GNH,,,,,,,135480785,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)N([H])[H])[C@@H](O)[C@H]1O,"InChI=1S/C10H16N6O10P2/c11-10-14-7-4(8(19)15-10)13-2-16(7)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(12,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H3,12,20,21)(H3,11,14,15,19)/t3-,5-,6-,9-/m1/s1",ZGPDMUBRWRJAQQ-UUOKFMHZSA-N
DB02624,1192-20-7,Homoserine Lactone,experimental,,,,,,HSL,,ZINC000034781669,,,,30657,7057884,N[C@@H]1CCOC1=O,"InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m1/s1",QJPWUUJVYOJNMH-GSVOUGTGSA-N
DB02625,,(2r)-2-{[Formyl(Hydroxy)Amino]Methyl}Hexanoic Acid,experimental,,,,,,BRR,,ZINC000012502376,,,,,5287843,[H][C@@](CCCC)(CN(O)C=O)C(O)=O,"InChI=1S/C8H15NO4/c1-2-3-4-7(8(11)12)5-9(13)6-10/h6-7,13H,2-5H2,1H3,(H,11,12)/t7-/m1/s1",NOSUUIPGNMAALM-SSDOTTSWSA-N
DB02626,,Phenylferricrocin-iron,experimental,,,,,,PFC,,,,,,,46936441,[Fe].CC(=O)N(O)CCC[C@@H]1NC(=O)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O,"InChI=1S/C34H51N9O12.Fe/c1-21(44)41(53)15-7-12-25-31(49)35-20-30(48)38-28(18-24-10-5-4-6-11-24)32(50)36-19-29(47)37-26(13-8-16-42(54)22(2)45)33(51)40-27(34(52)39-25)14-9-17-43(55)23(3)46;/h4-6,10-11,25-28,53-55H,7-9,12-20H2,1-3H3,(H,35,49)(H,36,50)(H,37,47)(H,38,48)(H,39,52)(H,40,51);/t25-,26-,27-,28+;/m0./s1",SJKVBDKBQHKHPK-OVSNALSBSA-N
DB02627,,"4,4'-Biphenyldiboronic Acid",experimental,,,,,,BDB,,ZINC000169747015,CHEMBL109227,50067910,,,2734608,OB(O)C1=CC=C(C=C1)C1=CC=C(C=C1)B(O)O,"InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H",SLHKDOGTVUCXKX-UHFFFAOYSA-N
DB02628,,"1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide",experimental,,,,,,998,,ZINC000003960063,CHEMBL1230662,13166,,,4369343,[H][C@@](C)(NC)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@]1([H])CCCC2=C1C=CC=C2)C(C)(C)C,"InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1",JUJIMRZGUBTJRV-NASSWSRMSA-N
DB02629,,"N,N-[2,5-O-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]",experimental,,,,,,BED,,ZINC000024495662,,359,,,445306,O[C@H]([C@@H](O)[C@@H](OCC1=C(F)C=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12)[C@@H](OCC1=CC=CC=C1F)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2,"InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1",LYHLPPXMBKMSSZ-JQFCFGFHSA-N
DB02630,64913-51-5,L-xylitol 5-phosphate,experimental,,,,,,LXP,,,,,,,448027,OC[C@@H](O)[C@H](O)[C@@H](O)COP(O)(O)=O,"InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m1/s1",VJDOAZKNBQCAGE-WISUUJSJSA-N
DB02632,3150-24-1,4-nitrophenyl-beta-D-galactoside,experimental,,,,,,147,,ZINC000003956718,CHEMBL157265,,,355715,65115,OC[C@H]1O[C@@H](OC2=CC=C(C=C2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1",IFBHRQDFSNCLOZ-YBXAARCKSA-N
DB02633,84166-13-2,Cibacron Blue,experimental,,,,,,CBD,,ZINC000085427635,CHEMBL572528,50300129,,,172469,NC1=C(C=C(NC2=CC=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(O)(=O)=O)=N3)C(=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,"InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)",YKCWQPZFAFZLBI-UHFFFAOYSA-N
DB02635,,N-[O-Phosphono-Pyridoxyl]-Isoleucine,experimental,,,,,,ILP,,ZINC000005846701,,,,,92282619,[H][C@](C)(CC)[C@@]([H])(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,"InChI=1S/C14H23N2O7P/c1-4-8(2)12(14(18)19)16-6-11-10(7-23-24(20,21)22)5-15-9(3)13(11)17/h5,8,12,16-17H,4,6-7H2,1-3H3,(H,18,19)(H2,20,21,22)/t8-,12+/m0/s1",GZZDWFDWHXPWJK-QPUJVOFHSA-N
DB02636,,"9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol[3,4-D][1,3]Dioxole-5-Carboxylic Acid",experimental,,,,,,9AR,,,CHEMBL600828,50306859,,,1941,COC1=C(O)C=CC2=C1C=C(C1=C2C2=C(OCO2)C=C1C(O)=O)[N+]([O-])=O,"InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21)",UCLGCTLOEZZSLA-UHFFFAOYSA-N
DB02637,,Oxaloacetate Ion,experimental,,,,,,OAA,,,,,,,140658388,OC(=O)C(=O)CC([O-])=O,"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1",KHPXUQMNIQBQEV-UHFFFAOYSA-M
DB02638,14636-12-5,Terlipressin,"['approved', 'investigational']","['17148649', '16015526', '15488059', '15803052', '17125115']",H01BA04,,57048,PA164781020,,2967,,,,,,,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,"InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1",BENFXAYNYRLAIU-QSVFAHTRSA-N
DB02639,17833-43-1,7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one,experimental,,,,,,MUG,,ZINC000004282201,,,,192624,87330,CC1=CC(=O)OC2=C1C=CC(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2,"InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1",YUDPTGPSBJVHCN-JZYAIQKZSA-N
DB02640,23110-15-8,Fumagillin,experimental,,P01AX10,,,,FUG,3253,ZINC000004098264,CHEMBL32838,50113436,,48635,6917655,CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O,"InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1",NGGMYCMLYOUNGM-CSDLUJIJSA-N
DB02641,628-62-6,Heptanamide,experimental,,,,,,HPN,,ZINC000001672870,CHEMBL238502,,,,136449,CCCCCCC(N)=O,"InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)",AEDIXYWIVPYNBI-UHFFFAOYSA-N
DB02642,,[[N-(Benzyloxycarbonyl)Amino]Methyl]Phosphate,experimental,,,,,,FOS,,,CHEMBL1232804,,,,1950,OP(O)(=O)CNC(=O)OCC1=CC=CC=C1,"InChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)",WUNKRZNFNIYEPN-UHFFFAOYSA-N
DB02643,,"N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate",experimental,,,,,,C15,,ZINC000014880434,,,,41362,84704,CCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O,"InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1",IZWSFJTYBVKZNK-UHFFFAOYSA-O
DB02644,,N-omega-propyl-L-arginine,experimental,,,,,,3AR,,,,,,,5287494,[H]N([H])[C@@H](CCCN([H])C(\N([H])[H])=[N+](/[H])CCC)C(O)=O,"InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1",AOMXURITGZJPKB-ZETCQYMHSA-O
DB02645,,"3,4-Epoxybutyl-Alpha-D-Glucopyranoside",experimental,,,,,,EBG,,ZINC000033821285,,,,,5288150,[H][C@]1(CCO[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)CO1,"InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1",RZSIARIQGABJJE-DLXYEPTOSA-N
DB02646,925-91-7,Nitrosoethane,experimental,,,,,,NOE,,,,,,50722,79124,CCN=O,"InChI=1S/C2H5NO/c1-2-3-4/h2H2,1H3",IFYCAQIXDKZDTB-UHFFFAOYSA-N
DB02647,,N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide,experimental,,,,,,N5B,,,CHEMBL324942,7127,,,449088,O=C(NC1=CC(=NN1)C1CC1)C1=CC=CC=C1,"InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)",LUCORKWTQSQFFU-UHFFFAOYSA-N
DB02648,461-06-3,(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium,experimental,,,,,,152,,ZINC000003079340,CHEMBL1229656,,,39547,10918,C[N+](C)(C)C[C@H](O)CC(O)=O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1",PHIQHXFUZVPYII-ZCFIWIBFSA-O
DB02649,2345-56-4,3-Amino-3-Oxopropanoic Acid,experimental,,,,,,MLM,,ZINC000000901948,,,,43991,75367,NC(=O)CC(O)=O,"InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)",CGJMROBVSBIBKP-UHFFFAOYSA-N
DB02650,75-87-6,Trichloroacetaldehyde,experimental,,,,38574,,CLX,,ZINC000003875479,CHEMBL27551,,,48814,6407,[H]C(=O)C(Cl)(Cl)Cl,"InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H",HFFLGKNGCAIQMO-UHFFFAOYSA-N
DB02651,,"{[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)",experimental,,,,,,P27,,ZINC000024787833,CHEMBL267048,13596,,,448024,OP(O)(=O)C(F)(F)C1=CC=C(CC(CC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)(N2N=NC3=C2C=CC=C3)C2=CC=C(F)C(F)=C2)C=C1,"InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)",BTAGTGWPDROBMG-UHFFFAOYSA-N
DB02652,,L-[(N-Hydroxyamino)Carbonyl]Phenylalanine,experimental,,,,,,LHY,,ZINC000003581318,,,,,446056,[H]N(O)C(=O)N([H])[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1",IOFPEOPOAMOMBE-QMMMGPOBSA-N
DB02654,52301-43-6,6-hydroxy-FAD,experimental,,,,,,6FA,,ZINC000085587514,,,,40260,,CC1=CC2=C(N=C3C(=O)NC(=O)N=C3N2C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)C(O)=C1C,"InChI=1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t12-,13+,14+,19-,20+,21+,26+/m0/s1",BJSUUWFQAMLNKU-OKXKTURISA-N
DB02655,1783-96-6,D-Aspartic Acid,experimental,,,,,,DAS,,ZINC000000895218,CHEMBL29757,31174,,17364,83887,N[C@H](CC(O)=O)C(O)=O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",CKLJMWTZIZZHCS-UWTATZPHSA-N
DB02656,154447-36-6,LY-294002,experimental,,,,,,LY2,,ZINC000000006014,CHEMBL98350,12915,,65329,3973,O=C1C=C(OC2=C1C=CC=C2C1=CC=CC=C1)N1CCOCC1,"InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2",CZQHHVNHHHRRDU-UHFFFAOYSA-N
DB02657,3616-42-0,Glucosamine 6-Phosphate,experimental,,,,,,GLP,,ZINC000004097103,,,,15873,439217,N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1",XHMJOUIAFHJHBW-UKFBFLRUSA-N
DB02658,,"2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside",experimental,,,,,,NFG,,ZINC000004475142,CHEMBL1234696,,,,445227,[H][C@]1(CO)O[C@@]([H])(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[C@]([H])(F)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9-,10-,11-,12-/m1/s1",UFSBFVZQJZMIOU-LZQZFOIKSA-N
DB02659,81-25-4,Cholic Acid,approved,,A05AA03,D10699,1440856,PA166160055,CHD,3096,ZINC000006858022,CHEMBL205596,21680,CHOLBAM,16359,221493,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ-OELDTZBJSA-N
DB02660,141184-34-1,Filaminast,experimental,,,,,,FIL,,ZINC000000000308,CHEMBL590754,50532265,,,9578243,COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O,"InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+",STTRYQAGHGJXJJ-LICLKQGHSA-N
DB02661,,"Adenosine-5'-diphosphate-2',3'-vanadate",experimental,,,,,,AV2,,,,,,,,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H]2O[V](=O)(=O)O[C@H]12,"InChI=1S/C10H13N5O10P2.2O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q-2;;;+2/t4-,6+,7-,10+;;;/m0.../s1",WUULDHXBMSNFAO-YVAIFPRKSA-N
DB02662,,Novo Nordisk a/S Compound,experimental,,,,,,878,,ZINC000002046846,CHEMBL336908,50118778,,40326,1829,OC(=O)C(=O)NC1=C(C=C(I)C=C1)C(O)=O,"InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)",SHSWHSQPJKMCPN-UHFFFAOYSA-N
DB02663,51276-47-2,2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid,experimental,,,,,,PPQ,,ZINC000000902215,,,,142853,6971306,C[P@@](O)(=O)CC[C@@H](N)C(O)=O,"InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1",IAJOBQBIJHVGMQ-SCSAIBSYSA-N
DB02664,,1-Butane Boronic Acid,experimental,,,,,,BUB,,ZINC000169743048,CHEMBL31962,50067884,,,20479,CCCCB(O)O,"InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3",QPKFVRWIISEVCW-UHFFFAOYSA-N
DB02665,1986-47-6,"(1R,2S)-2-Phenylcyclopropanaminium",experimental,,,,,,TPA,,,,,,131517,11861988,[NH3+][C@@H]1C[C@H]1C1=CC=CC=C1,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m0/s1",AELCINSCMGFISI-DTWKUNHWSA-O
DB02666,,(C8-R)-hydantocidin 5'-phosphate,experimental,,,,,,RPD,,ZINC000031976939,,,,,448088,[H]N1C(=O)N(CCC[C@@H](N(O)CO)C(O)=O)C(=O)[C@]11O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7-,8-,9-,13+/m1/s1",MAXSFYCTFIBEAR-OJMIUMIFSA-N
DB02667,15713-12-9,Vitamin B 12 factor IIIm,experimental,,,,,,B1M,,,,,,,,COC1=CC=C2N(C=NC2=C1)[C@H]1O[C@H](CO)[C@@H](O[P@]([OH-])(=O)O[C@H](C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)C3=[N+]4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co@@]457)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O)[C@H]1O,"InChI=1S/C61H86N13O15P.Co/c1-29(88-90(84,85)89-52-40(27-75)87-56(51(52)83)74-28-69-38-21-32(86-10)11-15-39(38)74)26-68-48(82)19-20-58(6)36(22-45(65)79)55-61(9)60(8,25-47(67)81)35(14-18-44(64)78)50(73-61)31(3)54-59(7,24-46(66)80)33(12-16-42(62)76)37(70-54)23-41-57(4,5)34(13-17-43(63)77)49(71-41)30(2)53(58)72-55;/h11,15,21,23,28-29,33-36,40,51-52,56,75,83-84H,12-14,16-20,22,24-27H2,1-10H3,(H2,62,76)(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H,68,82);/q-1;+4/b41-23-,53-30-,54-31-;/t29-,33-,34-,35-,36+,40-,51-,52-,56+,58-,59+,60+,61+;/m1./s1",CJVUSTVYODMZMZ-VSTXFNHGSA-N
DB02668,186538-00-1,JE-2147,experimental,,,,,,JE2,,,CHEMBL300891,580,,,446837,CC1=CC=CC=C1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC(O)=C1C,"InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1",CUFQBQOBLVLKRF-RZDMPUFOSA-N
DB02669,,RB106,experimental,,,,,,TI3,,ZINC000006580513,CHEMBL419499,50051785,,,448087,[H][C@](S)(CC1=CC=CC=C1)C(=O)NCC(=O)N1[C@@]([H])(CC[C@]1([H])C1=CC=CC=C1)C(O)=O,"InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19+/m1/s1",ZWDQTNWLXALTOV-QYZOEREBSA-N
DB02670,,4-Deoxy-Alpha-D-Glucose,experimental,,,,,,G4D,,ZINC000005851312,,,,,444914,[H][C@]1(O)C[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])O,"InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1",HDEMQQHXNOJATE-AZGQCCRYSA-N
DB02671,616-47-7,1-Methylimidazole,experimental,,,,,,1MZ,,,,,,,59438645,CN1C=C[NH+]=C1,"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1",MCTWTZJPVLRJOU-UHFFFAOYSA-O
DB02673,,"(4aS,6R,8aS)-11-[8-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium",experimental,,,,,,GL8,,ZINC000003813965,CHEMBL490866,10406,,,5288394,COC1=CC=C2C=[N+](CCCCCCCCN3C(=O)C4=C(C=CC=C4)C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24,"InChI=1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m0/s1",VLGAHTYYCHWLNI-BHRZLAGCSA-N
DB02674,,"4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid",experimental,,,,,,SNR,,,,,,,446903,[H][C@]12CS[C@@]([H])(CCCC(O)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1",AINAXQHKYSZESH-HAFWLYHUSA-N
DB02675,,(4-Hydroxymaltosephenyl)Glycine,experimental,,,,,,SHP,,ZINC000064437282,,,,,17754164,[H][C@@](N)(C(O)=O)C1=CC=C(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)C=C1,"InChI=1S/C20H29NO13/c21-11(18(29)30)7-1-3-8(4-2-7)31-20-17(15(27)13(25)10(6-23)33-20)34-19-16(28)14(26)12(24)9(5-22)32-19/h1-4,9-17,19-20,22-28H,5-6,21H2,(H,29,30)/t9-,10-,11+,12-,13-,14+,15+,16+,17+,19-,20+/m1/s1",PHPOPZGUOBMSPZ-QHJSCRBTSA-N
DB02676,,"2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol",experimental,,,,,,B3P,,ZINC000004521259,CHEMBL63859,,,40947,125132,OCC(CO)(CO)NCCCNC(CO)(CO)CO,"InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2",HHKZCCWKTZRCCL-UHFFFAOYSA-N
DB02677,,D-naphthyl-1-acetamido boronic acid alanine,experimental,,,,,,SBD,,ZINC000169748476,,,,,17754157,CC(=O)N[C@H](CC1=CC=CC2=C1C=CC=C2)[B-](O)(O)OC[C@H](N)C(O)=O,"InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1",KJSNEFAXFLDDDR-JKSUJKDBSA-N
DB02678,14196-86-2,beta-D-Galactosamine,experimental,,,,,,1GN,,ZINC000003861073,,,,39610,449462,N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O,"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6-/m1/s1",MSWZFWKMSRAUBD-VFUOTHLCSA-N
DB02679,420-04-2,Cyanamide,experimental,,,D00123,,,CNN,,,CHEMBL56279,,,16698,9864,NC#N,InChI=1S/CH2N2/c2-1-3/h2H2,XZMCDFZZKTWFGF-UHFFFAOYSA-N
DB02680,99-65-0,"1,3-Dinitrobenzene",experimental,,,,,,NIN,,ZINC000001683353,CHEMBL114070,,,51397,7452,[O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O,InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,WDCYWAQPCXBPJA-UHFFFAOYSA-N
DB02681,,"2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium",experimental,,,,,,V7O,,,,,,,,[O-][V](=O)[O+]([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O+]([V]([O-])=O)[V](=O)(=O)=O)[V](=O)(=O)=O,InChI=1S/19O.7V/q;;;;;;;;;;;;;;;2*-1;2*+1;;;;;;;,ONZDNYIINYVFKD-UHFFFAOYSA-N
DB02683,,Inhibitor Bea428,experimental,,,,,,BEJ,,ZINC000095547578,CHEMBL123850,851,,,445308,[H][C@@](O)([C@@]([H])(O)[C@@]([H])(OCC1=CC=C(C=C1)C1=CN=CC=C1)C(O)=N[C@@]([H])(C(C)C)C(O)=NC)[C@@]([H])(OCC1=CC=C(C=C1)C1=CN=CC=C1)C(O)=N[C@@]([H])(C(C)C)C(O)=NC,"InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1",FOBRXMROTNVGST-CXPJILFNSA-N
DB02684,,5'-O-(L-Cysteinylsulfamoyl)adenosine,experimental,,,,,,5CA,,ZINC000024951193,CHEMBL1163074,50339905,,,447377,[H]N([H])[C@@H](CS)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],"InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1",FTSDEWPMACCNGN-YTMOPEAISA-N
DB02685,,3-Methylphenylalanine,experimental,,,,,,APD,,ZINC000001652106,CHEMBL1231013,,,,2761494,CC1=CC=CC(C[C@H](N)C(O)=O)=C1,"InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1",JZRBSTONIYRNRI-VIFPVBQESA-N
DB02686,,Undecyl-Beta-D-Maltopyranoside,experimental,,,,,,UMQ,,ZINC000058649715,,,,,447793,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(OCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O,"InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1",UYEMNFYVTFDKRG-ZNGNCRBCSA-N
DB02688,1948-56-7,"2,3-Didehydroalanine",experimental,,,,,,DHA,,,,,,76565,123991,NC(=C)C(O)=O,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",UQBOJOOOTLPNST-UHFFFAOYSA-N
DB02689,,S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine,experimental,,,,,,SDC,,ZINC000005828870,,,,,448254,[H][C@](N)(CSCCS(N)(=O)=O)C(O)=O,"InChI=1S/C5H12N2O4S2/c6-4(5(8)9)3-12-1-2-13(7,10)11/h4H,1-3,6H2,(H,8,9)(H2,7,10,11)/t4-/m0/s1",ZRCBQBJBRHIRRG-BYPYZUCNSA-N
DB02690,90417-38-2,NU1025,experimental,,,,,,NU1,,ZINC000018145500,CHEMBL123904,50068774,,75399,135398517,CC1=NC2=C(C=CC=C2O)C(=O)N1,"InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)",YJDAOHJWLUNFLX-UHFFFAOYSA-N
DB02691,475-31-0,Glycocholic acid,"['experimental', 'investigational']",,,,1426482,,GCH,,,,50420252,,29746,5460316,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",RFDAIACWWDREDC-FRVQLJSFSA-M
DB02693,,"(4S,5S)-1,2-dithiane-4,5-diol",experimental,,,,,,D1D,,ZINC000000895503,,,,41837,445528,[H][C@@]1(O)CSSC[C@@]1([H])O,"InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1",YPGMOWHXEQDBBV-QWWZWVQMSA-N
DB02694,,Pantoyl Adenylate,experimental,,,,,,PAJ,,ZINC000015779814,,,,,447261,[H][C@](O)(C(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(C)(C)CO,"InChI=1S/C16H24N5O10P/c1-16(2,4-22)11(25)15(26)31-32(27,28)29-3-7-9(23)10(24)14(30-7)21-6-20-8-12(17)18-5-19-13(8)21/h5-7,9-11,14,22-25H,3-4H2,1-2H3,(H,27,28)(H2,17,18,19)/t7-,9-,10-,11+,14-/m1/s1",GDPVENOGSVMRJL-FSRKKXLISA-N
DB02695,,O1-Pentyl-Mannose,experimental,,,,,,OPM,,ZINC000005973254,,,,,447084,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OCCCCC)[C@@]1([H])O,"InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1",RYIWDDCNJPSPRA-UVOCVTCTSA-N
DB02696,40248-31-5,"6-Aminohexyl-uridine-C1,5'-diphosphate",experimental,,,,,,UDH,,ZINC000013523996,,,,,448803,[H]N([H])CCCCCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)N([H])C1=O,"InChI=1S/C15H27N3O12P2/c16-6-3-1-2-4-8-27-31(23,24)30-32(25,26)28-9-10-12(20)13(21)14(29-10)18-7-5-11(19)17-15(18)22/h5,7,10,12-14,20-21H,1-4,6,8-9,16H2,(H,23,24)(H,25,26)(H,17,19,22)/t10-,12-,13-,14-/m1/s1",MLWJBKPFDKRHBM-FMKGYKFTSA-N
DB02697,,Hydroxyaminovaline,experimental,,,,,,HAV,,ZINC000003997609,,,,,444599,CC(C)[C@@H](N)C(=O)NO,"InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1",USSBBYRBOWZYSB-SCSAIBSYSA-N
DB02698,,"N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid",experimental,,,,,,BPD,,ZINC000003873792,,,,,4310,OC(=O)C1=CC=CC2=C1OC1=C(C=CC=C1C(O)=O)N2C1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C21H12F3NO5/c22-21(23,24)11-4-1-5-12(10-11)25-15-8-2-6-13(19(26)27)17(15)30-18-14(20(28)29)7-3-9-16(18)25/h1-10H,(H,26,27)(H,28,29)",NQOOJFXBGLOGTC-UHFFFAOYSA-N
DB02699,62702-55-0,4-Oxoretinol,experimental,,,,,,OXR,,ZINC000012502479,,,,44597,5289090,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+",PLIUCYCUYQIBDZ-RMWYGNQTSA-N
DB02700,,3-Deoxy-D-Glucosamine,experimental,,,,,,GCN,,,,,,,5288374,[H][C@@]1(N)C[C@]([H])(O)[C@@]([H])(CO)O[C@]1([H])O,"InChI=1S/C6H13NO4/c7-3-1-4(9)5(2-8)11-6(3)10/h3-6,8-10H,1-2,7H2/t3-,4+,5-,6+/m1/s1",SNDZDGQLFKEBLF-MOJAZDJTSA-N
DB02701,98-92-0,Nicotinamide,"['approved', 'investigational']",,A11HA01,D00036,7405,,NCA,1906,ZINC000000005878,CHEMBL1140,27507,NICOTINAMIDE,17154,936,NC(=O)C1=CC=CN=C1,"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",DFPAKSUCGFBDDF-UHFFFAOYSA-N
DB02702,183854-11-7,XV638,experimental,,,,,,XV6,,ZINC000085548877,CHEMBL57375,154,,10050,441046,[H][C@]1(CC2=CC=CC=C2)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)[C@]([H])(CC2=CC=CC=C2)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1",JDALSSGOBMTZEP-NWJWHWDBSA-N
DB02703,6990-06-3,Fusidic acid,"['approved', 'investigational']",,"['S01AA13', 'D06AX01', 'D09AA02', 'J01XC01']",D04281,113608,PA164749648,FUA,1261,ZINC000008143796,CHEMBL374975,58924,FUCITHALMIC,29013,3000226,[H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@]4([H])CC[C@]3(C)[C@@]1(C)C[C@H](OC(C)=O)\C2=C(\CCC=C(C)C)C(O)=O,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",IECPWNUMDGFDKC-MZJAQBGESA-N
DB02704,,"(2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide",experimental,,,,,,BLL,,ZINC000003964411,,585,,,449129,O[C@@H]([C@H](O)[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2)[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2,"InChI=1S/C40H44N2O6/c43-33-23-27-15-7-9-17-29(27)35(33)41-39(47)31(21-19-25-11-3-1-4-12-25)37(45)38(46)32(22-20-26-13-5-2-6-14-26)40(48)42-36-30-18-10-8-16-28(30)24-34(36)44/h1-18,31-38,43-46H,19-24H2,(H,41,47)(H,42,48)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1",GQKBYZPVKVXMJL-LAFNQVRVSA-N
DB02705,,"6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",experimental,,,,,,303,,ZINC000026974275,,,,,447736,[H][C@]1(NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2)C(C)C,"InChI=1S/C24H26N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14,22,27H,9-10H2,1-2H3,(H3,25,26)(H,28,29)/t22-/m0/s1",DARQQJKHXPXSRO-QFIPXVFZSA-N
DB02706,,Mercaptocarboxylate Inhibitor,experimental,,,,,,MCI,,ZINC000263620375,,,,,5288784,[H][C@](CS)(CCC1=CC=CC=C1)C(=O)N=C(C(O)=O)C1=CC=C(CN2C=NN=N2)S1,"InChI=1S/C19H19N5O3S2/c25-18(14(11-28)7-6-13-4-2-1-3-5-13)21-17(19(26)27)16-9-8-15(29-16)10-24-12-20-22-23-24/h1-5,8-9,12,14,28H,6-7,10-11H2,(H,26,27)/t14-/m1/s1",DUKDFMPUZRDWLT-CQSZACIVSA-N
DB02707,,Pentyl Trihydrogen Diphosphate,experimental,,,,,,P25,,ZINC000012502488,,,,,448673,CCCCCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H14O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h2-5H2,1H3,(H,9,10)(H2,6,7,8)",VFFCVKZHJFIUBM-UHFFFAOYSA-N
DB02709,501-36-0,Resveratrol,investigational,"['17054386', '13129286', '15333514', '17959154', '11804508', '16401555', '10551373', '7994864']",,,1000492,PA165291838,STL,,ZINC000000006787,CHEMBL165,23926,TRANS-RESVERATROL,45713,445154,OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1,"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+",LUKBXSAWLPMMSZ-OWOJBTEDSA-N
DB02710,127658-43-9,"2,3,-Dihydroxybenzoylserine",experimental,,,,,,DBS,,,,,,17455,151483,[H][C@@](CO)(NC(=O)C1=C(O)C(O)=CC=C1)C(O)=O,"InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1",VDTYHTVHFIIEIL-LURJTMIESA-N
DB02711,,"4-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Butyl Dihydrogen Phosphate",experimental,,,,,,TS0,,ZINC000012501635,,,,,657028,OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)N(CCCCOP(O)(O)=O)C2=C1NC(=O)NC2=O,"InChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8+,10+/m0/s1",VBXZSBKAJFXURR-QXFUBDJGSA-N
DB02712,68367-52-2,Sorbinil,"['experimental', 'investigational']",,,,,,SBI,,ZINC000000002070,CHEMBL266497,16312,"CP-45,634",102029,337359,FC1=CC=C2OCC[C@]3(NC(=O)NC3=O)C2=C1,"InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1",LXANPKRCLVQAOG-NSHDSACASA-N
DB02713,543-24-8,Acetylamino-Acetic Acid,experimental,,,,,,AAC,,ZINC000001683660,CHEMBL289004,82197,,40410,10972,CC(=O)NCC(O)=O,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",OKJIRPAQVSHGFK-UHFFFAOYSA-N
DB02714,84-53-7,3'-Uridinemonophosphate,experimental,,,,,,U3P,,ZINC000004095646,CHEMBL460741,50292722,,28895,101543,OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",FOGRQMPFHUHIGU-XVFCMESISA-N
DB02715,31112-66-0,Compound 18,experimental,,,,,,AIJ,,ZINC000012502347,CHEMBL180300,50157156,,,449208,[H][C@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1,"InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26-,27+/m0/s1",UZOOIPXOYYJULJ-RHLLTPQKSA-N
DB02716,,7-methyl-guanosine-5'-triphosphate,experimental,,,,,,MGP,,ZINC000015601432,,,,50226,135419182,C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,"InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1",DKVRNHPCAOHRSI-KQYNXXCUSA-O
DB02717,38819-01-1,Cellotetraose,experimental,,,,,,,,ZINC000085603797,,,,156790,5288428,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1",LUEWUZLMQUOBSB-HGDSAIHNSA-N
DB02719,361440-32-6,C-(1-hydrogyl-beta-D-glucopyranosyl) formamide,experimental,,,,,,CBF,,ZINC000005830039,,,,,447771,[H]N([H])C(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1",DTZYCNDAJQDPQC-UHKLXPPTSA-N
DB02720,58825-13-1,alpha-D-glucopyranosyl-2-carboxylic acid amide,experimental,,,,,,GLG,,,CHEMBL135302,50306562,,,445825,[H]N([H])C(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/m1/s1",UKWLGCFJAVEFPE-DVKNGEFBSA-N
DB02721,3469-69-0,4-Iodopyrazole,experimental,,,,,,PYZ,,ZINC000002046962,,,,45260,77022,IC1=CNN=C1,"InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)",LLNQWPTUJJYTTE-UHFFFAOYSA-N
DB02722,,4-O-methyl-beta-D-glucuronic acid,experimental,,,,,,GCW,,,,,,,446874,CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O,"InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7-/m1/s1",WGLLPAPKWFDHHV-RLZVPWTLSA-N
DB02723,,"4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide",experimental,,,,,,BLI,,ZINC000015627006,CHEMBL18136,50107064,,,5326608,O\N=C(/N)N1CCC(CC1)CNC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)CC1=CC=CC=C1,"InChI=1S/C22H32N6O5S/c23-22(25-31)26-10-8-16(9-11-26)12-24-21(30)19-7-6-18-13-27(14-20(29)28(18)19)34(32,33)15-17-4-2-1-3-5-17/h1-5,16,18-19,31H,6-15H2,(H2,23,25)(H,24,30)/t18-,19-/m0/s1",DHTSUHWLPAEEQB-OALUTQOASA-N
DB02724,,Delta-2-Albomycin A1,experimental,,,,,,ALB,,,,,,,,O1N2C(=[O+][Fe-3]1134ON(C(=[O+]1)C)CCC[C@](C(=O)N[C@@](C(=O)N[C@@](C(O)=O)([C@@]([C@]1(S[C@@](N5C=C\C(=N\C(N)=O)N(C5=O)C)([C@@]([C@]1([H])O)([H])O)[H])[H])([H])O)[H])([H])CO)([H])NC([C@@]([H])(CCCN(O3)C(=[O+]4)C)NC([C@]([H])(N)CCC2)=O)=O)C,"InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24-;/t20-,21-,22+,23+,25-,26-,27+,28+,29-,34-;/m1./s1",RQZRKFJHRUDTLB-OOXACHQASA-N
DB02725,,"2-Amino-4-(4-Amino-Cyclohexa-2,5-Dienyl)-Butyric Acid",experimental,,,,,,ACZ,,,,,,,,[H][C@](N)(CC[C@@]1([H])C=CC([H])(N)C=C1)C(O)=O,"InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8?,9-/m0/s1",LAJWZJCOWPUSOA-SMOXQLQSSA-N
DB02726,13147-57-4,2-Phosphoglycolic Acid,experimental,,,,,,PGA,,ZINC000003869735,CHEMBL47181,,,17150,529,OC(=O)COP(O)(O)=O,"InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",ASCFNMCAHFUBCO-UHFFFAOYSA-N
DB02727,140215-98-1,2-butyl-1-hydroxyguanidine,experimental,,,,,,BHH,,ZINC000013536006,CHEMBL308745,,,,447030,CCCC\N=C(/N)NO,"InChI=1S/C5H13N3O/c1-2-3-4-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8)",ULDDTFAPYWLDGF-UHFFFAOYSA-N
DB02728,,7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester,experimental,,,,,,YZ9,,ZINC000000057354,CHEMBL155103,50095995,,,5289613,CCOC(=O)C1=CC2=CC=C(O)C=C2OC1=O,"InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3",IETDBZQIWIJQJG-UHFFFAOYSA-N
DB02729,183854-21-9,SD146,experimental,,,,,,146,,ZINC000085548773,CHEMBL11266,155,,,444672,O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC=CC(=C2)C(=O)NC2=NC3=C(N2)C=CC=C3)C(=O)N(CC2=CC(=CC=C2)C(=O)NC2=NC3=C(N2)C=CC=C3)[C@@H]1CC1=CC=CC=C1,"InChI=1S/C49H44N8O5/c58-43-41(27-31-13-3-1-4-14-31)56(29-33-17-11-19-35(25-33)45(60)54-47-50-37-21-7-8-22-38(37)51-47)49(62)57(42(44(43)59)28-32-15-5-2-6-16-32)30-34-18-12-20-36(26-34)46(61)55-48-52-39-23-9-10-24-40(39)53-48/h1-26,41-44,58-59H,27-30H2,(H2,50,51,54,60)(H2,52,53,55,61)/t41-,42-,43+,44+/m1/s1",UWSVAGUSMAEUKO-QHQGJXSCSA-N
DB02730,,4-Methylthio-Alpha-D-Mannose,experimental,,,,,,MA2,,ZINC000033821389,,,,,5288724,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(SC)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1",UYUQSQYXZFSOEM-GKHCUFPYSA-N
DB02731,148-61-8,Ethylmercurithiosalicylic acid,experimental,,,,1546427,,EMT,,,,50366032,,33214,136799135,CC[Hg]SC1=CC=CC=C1C(O)=O,"InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1",HXQVQGWHFRNKMS-UHFFFAOYSA-M
DB02732,,"[(2R,3S,4R,5R)-5-(4-acetonyl-3-carbamoyl-pyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate",experimental,,,,,,NAE,,,,,,,5288882,[H]N([H])C(=O)C1=C(CC(C)=O)C=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,"InChI=1S/C24H31N7O15P2/c1-10(32)4-11-2-3-30(5-12(11)21(26)37)23-18(35)16(33)13(44-23)6-42-47(38,39)46-48(40,41)43-7-14-17(34)19(36)24(45-14)31-9-29-15-20(25)27-8-28-22(15)31/h2-3,5,8-9,13-14,16-19,23-24,33-36H,4,6-7H2,1H3,(H5-,25,26,27,28,37,38,39,40,41)/t13-,14-,16-,17-,18-,19-,23-,24-/m1/s1",SGHBFOOIAAJJMI-YDKVLQLQSA-N
DB02733,,Purvalanol,experimental,,,,,,PVB,,ZINC000000582590,CHEMBL23254,7478,,49840,448991,[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C,"InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1",ZKDXRFMOHZVXSG-HNNXBMFYSA-N
DB02734,,4-Deoxy-D-Mannuronic Acid,experimental,,,,,,MAW,,,,,,,446144,[H][C@@]1(O)OC(=C[C@]([H])(O)[C@]1([H])O)C(O)=O,"InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4-,6+/m0/s1",IAKKJSVSFCTLRY-NVFHJIOMSA-N
DB02735,,2-Amino-3-Oxo-4-Sulfo-Butyric Acid,experimental,,,,,,ALS,,ZINC000263620751,,,,,131704218,[H][C@@](N)(C(O)=O)[C@@]([H])(O)OS(O)(=O)=O,"InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1",MNJOBAOHZQQXIK-GPKNORDASA-N
DB02736,60-35-5,Acetamide,experimental,,,,,,ACM,,ZINC000008034818,CHEMBL16081,,,49028,178,CC(N)=O,"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",DLFVBJFMPXGRIB-UHFFFAOYSA-N
DB02738,,Adenosine-5'-Pentaphosphate,experimental,,,,,,5FA,,ZINC000058632138,,,,40096,193491,NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",WYJWVZZCMBUPSP-KQYNXXCUSA-N
DB02740,133-32-4,3-Indolebutyric Acid,experimental,,,,,,3IB,,ZINC000000057378,CHEMBL582878,50129081,,33070,8617,OC(=O)CCCC1=CNC2=C1C=CC=C2,"InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)",JTEDVYBZBROSJT-UHFFFAOYSA-N
DB02741,,CD564,experimental,,,,,,564,,,CHEMBL309282,31886,,,2605,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O,"InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)",RWYREGSYPCNZTL-UHFFFAOYSA-N
DB02742,109944-15-2,Kifunensine,experimental,,,,,,KIF,,ZINC000003795857,CHEMBL1233851,50482721,,,130611,[H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O,"InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1",OIURYJWYVIAOCW-PQMKYFCFSA-N
DB02743,,beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose,experimental,,,,,,,,ZINC000016051576,,,,41034,448925,[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11-,12+/m1/s1",GUBGYTABKSRVRQ-WWZHPTPQSA-N
DB02744,,RPR131247,experimental,,,,,,PR1,,ZINC000003873901,CHEMBL330572,14059,,,445482,NC(=N)C1=CC=C(O)C(CN2CC[C@H](NS(=O)(=O)C3=CC4=C(S3)C=CC=N4)C2=O)=C1,"InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1",PQJGWYQPOHCEDO-ZDUSSCGKSA-N
DB02745,58-96-8,Uridine,"['experimental', 'investigational']",,,,11017,PA130230921,URI,,ZINC000002583633,CHEMBL100259,50088517,URIDINE,16704,6029,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",DRTQHJPVMGBUCF-XVFCMESISA-N
DB02746,88-99-3,Phthalic Acid,experimental,,,,,,PHT,,ZINC000000090750,CHEMBL1045,50080272,,29069,1017,OC(=O)C1=CC=CC=C1C(O)=O,"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)",XNGIFLGASWRNHJ-UHFFFAOYSA-N
DB02747,,Diamino-N-[(4S)-5-anilino-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxopentyl]methaniminium,experimental,,,,,,8MI,,,,,,,5288637,[H]N([H])C(N([H])[H])=[N+]([H])CCC[C@H](N([H])C(=O)[C@H](CCC1=CC=CC=C1)N([H])[C@H](C)C(O)=O)C(=O)N([H])C1=CC=CC=C1,"InChI=1S/C25H34N6O4/c1-17(24(34)35)29-21(15-14-18-9-4-2-5-10-18)23(33)31-20(13-8-16-28-25(26)27)22(32)30-19-11-6-3-7-12-19/h2-7,9-12,17,20-21,29H,8,13-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/p+1/t17-,20+,21+/m1/s1",HDGWGGCPTVXRNA-QMMLZNLJSA-O
DB02749,89-05-4,Pyromellitic Acid,experimental,,,,,,PMA,,ZINC000000391925,CHEMBL1235346,512625,,45165,6961,OC(=O)C1=CC(C(O)=O)=C(C=C1C(O)=O)C(O)=O,"InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",CYIDZMCFTVVTJO-UHFFFAOYSA-N
DB02750,,S-(Methylmercury)-L-Cysteine,experimental,12117417,,,,,CMH,,,,,,,46936479,C[Hg]SC[C@@H](N)C(O)=O,"InChI=1S/C3H7NO2S.CH3.Hg/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H3;/q;;+1/p-1/t2-;;/m1../s1",OMYFBIZVJYGJJA-YBBRRFGFSA-M
DB02751,352-97-6,Glycocyamine,experimental,,,,,,NMG,,ZINC000000895314,CHEMBL281593,50021601,,57742,3946848,NC(N)=NCC(O)=O,"InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)",BPMFZUMJYQTVII-UHFFFAOYSA-N
DB02752,,Tosyl-D-Proline,experimental,,,,,,TPR,,ZINC000000063280,CHEMBL334226,50149243,,,445504,[H][C@@]1(CCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,"InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1",CGPHGPCHVUSFFA-LLVKDONJSA-N
DB02753,40093-99-0,Selenoinosine,experimental,,,,,,SNI,,,,,,,181653,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C2N=CN=C3[SeH])[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1",MXLAAGNIPFEHEI-KQYNXXCUSA-N
DB02754,,"9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine",experimental,,,,,,PU3,,ZINC000003832013,CHEMBL113690,15374,,,448965,CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2)=NC2=C(N)N=CN=C12,"InChI=1S/C19H25N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h8-9,11H,5-7,10H2,1-4H3,(H2,20,21,22)",TUOSCZDRWRYPRS-UHFFFAOYSA-N
DB02755,,1-3 Sugar Ring of Pentamannosyl 6-Phosphate,experimental,,,,,,P3M,,ZINC000024439790,,,,,444727,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]3([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]3([H])O)[C@]2([H])O)[C@]1([H])O,"InChI=1S/C18H33O19P/c19-1-4-8(22)14(12(26)16(28)33-4)36-18-13(27)15(9(23)5(2-20)34-18)37-17-11(25)10(24)7(21)6(35-17)3-32-38(29,30)31/h4-28H,1-3H2,(H2,29,30,31)/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1",HDQMHAJOIVYOIP-NAVBLJQLSA-N
DB02756,57369-32-1,Pyroquilon,experimental,,,,,,PYQ,,ZINC000000173360,CHEMBL144366,,,45141,91665,O=C1CCC2=CC=CC3=C2N1CC3,"InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2",XRJLAOUDSILTFT-UHFFFAOYSA-N
DB02757,288-13-1,Pyrazole,experimental,,,,,,PZO,,ZINC000000895257,CHEMBL15967,50390969,,17241,1048,N1C=CC=N1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",WTKZEGDFNFYCGP-UHFFFAOYSA-N
DB02758,830-96-6,Indolepropionic acid,experimental,,,,,,IOP,,ZINC000000007700,CHEMBL207225,31879,,43580,3744,OC(=O)CCC1=CNC2=CC=CC=C12,"InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)",GOLXRNDWAUTYKT-UHFFFAOYSA-N
DB02759,53643-12-2,4-methyl-umbelliferyl-N-acetyl-chitobiose,experimental,,,,,,GUM,,ZINC000015288235,,,,,171284,[H]N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3=CC4=C(C=C3)C(C)=CC(=O)O4)[C@H](N([H])C(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)=O,"InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1",UPSFMJHZUCSEHU-JYGUBCOQSA-N
DB02760,,"1,6-Di-O-Phosphono-D-Allitol",experimental,,,,,,F2P,,ZINC000016051613,,,,,5288174,[H][C@](O)(COP(O)(O)=O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,"InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6+",WOYYTQHMNDWRCW-FBXFSONDSA-N
DB02761,5652-32-4,S-Mercaptocysteine,experimental,,,,,,CSS,,,,,,28839,165331,N[C@@H](CSS)C(O)=O,"InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",XBKONSCREBSMCS-REOHCLBHSA-N
DB02762,,RU79072,experimental,,,,,,772,,ZINC000002047565,CHEMBL149603,14684,,,447532,OP(O)(=O)OC1=CC=CC2=CC=C(N=C12)C#N,"InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15)",NQLPTOOPFMPCHQ-UHFFFAOYSA-N
DB02763,15139-21-6,5-Mercapto-2-Nitro-Benzoic Acid,experimental,,,,,,MNB,,ZINC000002046780,,,,,123648,OC(=O)C1=CC(S)=CC=C1[N+]([O-])=O,"InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)",GANZODCWZFAEGN-UHFFFAOYSA-N
DB02765,14047-28-0,R-9-(2-hydroxypropyl)adenine,experimental,,,,,,ARP,,ZINC000002046906,,,,,445211,C[C@@H](O)CN1C=NC2=C1N=CN=C2N,"InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1",MJZYTEBKXLVLMY-RXMQYKEDSA-N
DB02766,,N-[(2R)-4-diazonio-3-oxoniumylidene-1-phenylbutan-2-yl]-1-phenylmethoxymethanimidate,experimental,,,,,,ZFB,,ZINC000103562579,,,,,131704219,[O-]\C(OCC1=CC=CC=C1)=N/[C@H](CC1=CC=CC=C1)C(=[OH+])C[N+]#N,"InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1",VLIGBVLLNSWVMI-MRXNPFEDSA-O
DB02767,28715-21-1,(R)-3-hydroxytetradecanoic acid,experimental,,,,,,FTT,,ZINC000002039069,CHEMBL1232858,50511000,,42539,5288266,CCCCCCCCCCC[C@@H](O)CC(O)=O,"InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1",ATRNZOYKSNPPBF-CYBMUJFWSA-N
DB02768,,Tert-Butyloxycarbonyl Group,experimental,,,,,,TBF,,ZINC000004521135,CHEMBL1236200,,,,61207,CC(C)(C)OC=O,"InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3",RUPAXCPQAAOIPB-UHFFFAOYSA-N
DB02770,,7-alpha-D-Ribofuranosyl-2-aminopurine-5'-phosphate,experimental,,,,,,7RA,,ZINC000031976807,,,,,446858,[H]N([H])C1=NC=C2N(C=NC2=N1)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)13-3-15(4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1",UDRQVOJQMHZSIM-PULFBKJNSA-N
DB02772,57-50-1,Sucrose,"['experimental', 'approved', 'investigational']","['15169967', '8969287', '15181020', '15157941']",,D00025,10159,PA451525,,4610,ZINC000004217475,CHEMBL253582,50108105,SUCROSE,17992,5988,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",CZMRCDWAGMRECN-UGDNZRGBSA-N
DB02773,,(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid,experimental,,,,,,34C,,ZINC000003871464,,,,,2084,CCCOC1=CC=C(CC(O)=O)C=C1Cl,"InChI=1S/C11H13ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h3-4,6H,2,5,7H2,1H3,(H,13,14)",QEJHPAGTOOIBFT-UHFFFAOYSA-N
DB02774,504-63-2,"1,3-Propanediol",experimental,,,,1363030,,PDO,,ZINC000001529437,CHEMBL379652,,,16109,10442,OCCCO,"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",YPFDHNVEDLHUCE-UHFFFAOYSA-N
DB02776,15015-81-3,1-Hexadecanosulfonic Acid,experimental,,,,,,HDS,,ZINC000006845885,CHEMBL1208309,,,43043,14253,CCCCCCCCCCCCCCCCS(O)(=O)=O,"InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)",SSILHZFTFWOUJR-UHFFFAOYSA-N
DB02777,,Diundecyl Phosphatidyl Choline,experimental,,,,,,PLC,,ZINC000014880487,,,,60273,445355,[H][C@@](COC(=O)CCCCCCCCCCC)(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,"InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1",IJFVSSZAOYLHEE-SSEXGKCCSA-O
DB02778,,"2,5-Anhydroglucitol-1,6-Biphosphate",experimental,,,,,,AHG,,ZINC000003870733,,,,,445555,[H][C@]1(O)[C@]([H])(O)[C@]([H])(COP(O)(O)=O)O[C@]1([H])COP(O)(O)=O,"InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1",WSMBXSQDFPTODV-JGWLITMVSA-N
DB02779,10182-91-9,Dodecyltrimethylammonium,experimental,,,,,PA451988,CAT,,ZINC000001673414,CHEMBL1180004,50060599,,41378,8153,CCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1",VICYBMUVWHJEFT-UHFFFAOYSA-N
DB02780,,Beta-3-Cysteine,experimental,,,,,,BCX,,,,,,,87087973,[H][C@](N)(CS)CC(O)=O,"InChI=1S/C4H9NO2S/c5-3(2-8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1",UGPZHAXXEJECMI-GSVOUGTGSA-N
DB02781,,"4-{(Z)-[2-[3-(Methylsulfanyl)Propanoyl]-5-Oxo-1-(2-Oxoethyl)-1,5-Dihydro-4h-Imidazol-4-Ylidene]Methyl}Benzenolate",experimental,,,,,,CRK,,,,,,,57484478,[H]\C(=C1/N=C(N(CC=O)C1=O)C(=O)CCSC)C1=CC=C([O-])C=C1,"InChI=1S/C16H16N2O4S/c1-23-9-6-14(21)15-17-13(16(22)18(15)7-8-19)10-11-2-4-12(20)5-3-11/h2-5,8,10,20H,6-7,9H2,1H3/p-1/b13-10+",POPNGBKQPJVYFV-JLHYYAGUSA-M
DB02783,,4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate,experimental,,,,,,IK2,,ZINC000002047479,,,,,447742,CC1=NC=C(COP(O)(O)=O)C(CNOCC(O)=O)=C1O,"InChI=1S/C10H15N2O8P/c1-6-10(15)8(3-12-19-5-9(13)14)7(2-11-6)4-20-21(16,17)18/h2,12,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)",QYKRUCBLHROXCK-UHFFFAOYSA-N
DB02784,,N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide,experimental,,,,,,FG1,,ZINC000012502600,,,,,49866981,[H]N(CCC(=O)N([H])[C@@]([H])(CO)C(=O)N([H])CCC1=CC=C(C=C1)N([H])C(=O)C(O)=O)C(=O)CBr,"InChI=1S/C18H23BrN4O7/c19-9-15(26)20-8-6-14(25)23-13(10-24)16(27)21-7-5-11-1-3-12(4-2-11)22-17(28)18(29)30/h1-4,13,24H,5-10H2,(H,20,26)(H,21,27)(H,22,28)(H,23,25)(H,29,30)/t13-/m0/s1",IYAWTDCWUJJPHZ-ZDUSSCGKSA-N
DB02785,,"(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-4-{[6-chloro-5-(4-methyl-1-piperazinyl)-2-pyrazinyl]carbonyl}-N-(2-methyl-2-propanyl)-2-piperazineca rboxamide",experimental,,,,,,3IN,,ZINC000024447263,,,,,444756,[H]N([C@H]1[C@@H](C)CC[C@H]1O)C(=O)[C@@H](C[C@H](O)CN1CCN(C[C@H]1C(=O)N([H])C(C)(C)C)C(=O)C1=CN=C(N2CCN(C)CC2)C(Cl)=N1)CC1=CC=CC=C1,"InChI=1S/C37H55ClN8O5/c1-24-11-12-30(48)31(24)41-34(49)26(19-25-9-7-6-8-10-25)20-27(47)22-45-17-18-46(23-29(45)35(50)42-37(2,3)4)36(51)28-21-39-33(32(38)40-28)44-15-13-43(5)14-16-44/h6-10,21,24,26-27,29-31,47-48H,11-20,22-23H2,1-5H3,(H,41,49)(H,42,50)/t24-,26+,27-,29-,30+,31-/m0/s1",SQZXWXXIPWXBCL-CYTJBAGBSA-N
DB02786,,2-Anhydro-3-Fluoro-Quinic Acid,experimental,,,,,,FA3,,,CHEMBL365468,50170813,,,448993,[H][C@@]1(O)C[C@@](O)(C=C(F)[C@@]1([H])O)C(O)=O,"InChI=1S/C7H9FO5/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h1,4-5,9-10,13H,2H2,(H,11,12)/t4-,5-,7+/m1/s1",DGZQZSSRYAJDAX-XAHCXIQSSA-N
DB02787,,N-Acetylmannosaminitol,experimental,,,,,,MMN,,ZINC000033821406,,,,,49867319,[H][C@@](C)(O)N[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO,"InChI=1S/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1",OUBSZQOZVSSBQR-SLBCVNJHSA-N
DB02788,,(S)-acetoin,experimental,,,,,,HBS,,ZINC000000895238,,,,15687,447765,C[C@H](O)C(C)=O,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1",ROWKJAVDOGWPAT-VKHMYHEASA-N
DB02789,145-13-1,Pregnenolone,"['experimental', 'approved']",17491011,,D00143,114052,,PLO,,ZINC000003861150,CHEMBL253363,50375319,PREGNENOLONE,16581,8955,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1",ORNBQBCIOKFOEO-QGVNFLHTSA-N
DB02790,,Phenyl-uridine-5'-diphosphate,experimental,,,,,,UPP,,ZINC000016052541,CHEMBL1199734,,,,449409,[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC3=CC=CC=C3)[C@@H](O)[C@H]2O)C1=O,"InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13-,14-/m1/s1",ZHUWBKDWWGKIEN-FMKGYKFTSA-N
DB02792,,Deglucobalhimycin,experimental,,,,,,,,,,,,,446082,[H]N([H])C(=O)C[C@@H]1N([H])C(=O)[C@H](N([H])C(=O)[C@@H](CC(C)C)N([H])C)[C@H](O)C2=CC(Cl)=C(OC3=C(O)C4=CC(=C3)[C@@]([H])(N([H])C1=O)C(=O)N([H])[C@]1([H])C3=CC(=C(O)C=C3)C3=C(C=C(O)C=C3O)[C@H](N([H])C(=O)[C@@]([H])(N([H])C1=O)[C@H](O[C@H]1C[C@](C)(N([H])[H])C(O)(O)[C@H](C)O1)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C=C2,"InChI=1S/C60H65Cl2N9O20/c1-22(2)12-33(65-5)52(78)70-47-49(76)25-7-10-37(31(61)14-25)89-39-16-27-17-40(50(39)77)90-38-11-8-26(15-32(38)62)51(91-42-21-59(4,64)60(86,87)23(3)88-42)48-57(83)69-46(58(84)85)30-18-28(72)19-36(74)43(30)29-13-24(6-9-35(29)73)44(54(80)71-48)68-55(81)45(27)67-53(79)34(20-41(63)75)66-56(47)82/h6-11,13-19,22-23,33-34,42,44-49,51,65,72-74,76-77,86-87H,12,20-21,64H2,1-5H3,(H2,63,75)(H,66,82)(H,67,79)(H,68,81)(H,69,83)(H,70,78)(H,71,80)(H,84,85)/t23-,33+,34-,42-,44+,45+,46-,47+,48-,49+,51+,59-/m0/s1",ABWSMPORYONAHZ-LTAUCOGHSA-N
DB02793,22642-82-6,Isochorismic Acid,experimental,,,,,,ISC,,,,,,29780,5460580,[H][C@]1(O)C(=CC=C[C@]1([H])OC(=C)C([O-])=O)C([O-])=O,"InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m0/s1",NTGWPRCCOQCMGE-YUMQZZPRSA-L
DB02794,,"(2S)-2-({4-[(2S)-1-(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)-3-{[2-({(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}amino)-2-oxoethyl]amino}-2-hydroxy-2-propanyl]benzoyl}ami no)pentanedioic acid",experimental,,,,,,138,,ZINC000098207915,,,,,135488885,[H]N([H])C1=NC(=O)C2=C(C=CC(CC(O)(CN([H])CC(=O)N([H])[C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H],"InChI=1S/C30H37N6O15P/c31-29-34-18-6-1-14(9-17(18)26(43)36-29)10-30(46,16-4-2-15(3-5-16)25(42)33-19(28(44)45)7-8-22(38)39)13-32-11-21(37)35-27-24(41)23(40)20(51-27)12-50-52(47,48)49/h1-6,9,19-20,23-24,27,32,40-41,46H,7-8,10-13H2,(H,33,42)(H,35,37)(H,38,39)(H,44,45)(H2,47,48,49)(H3,31,34,36,43)/t19-,20+,23+,24+,27+,30+/m0/s1",QZUCAWXKEZPFBV-PRICPSHJSA-N
DB02795,100-09-4,P-Anisic Acid,experimental,,,,1426595,,ANN,,ZINC000000332748,CHEMBL21932,243072,,40813,7478,COC1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",ZEYHEAKUIGZSGI-UHFFFAOYSA-N
DB02796,89458-19-5,9-deazainosine,experimental,,,,,,9DI,,,,,,,135483765,[H]N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H],"InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)/t5-,8-,9-,10+/m1/s1",WKDMPDYUJKSXBW-KBHCAIDQSA-N
DB02797,13331-27-6,3-Nitrophenylboronic Acid,experimental,,,,,,NPB,,ZINC000169743203,CHEMBL20945,50067887,,,1677,OB(O)C1=CC=CC(=C1)[N+]([O-])=O,"InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H",ZNRGSYUVFVNSAW-UHFFFAOYSA-N
DB02798,,Alpha-Methylene Adenosine Monophosphate,experimental,,,,,,ABM,,ZINC000003914599,,,,,445093,[H][C@]1(COP(C)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",PXSSQXBLDTZHLF-IOSLPCCCSA-N
DB02799,,N-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide,experimental,,,,,,MDC,,ZINC000033821404,,,,,5288792,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)N\C=C/N1C(=O)CCC1=O)C(=O)O2,"InChI=1S/C20H21N3O5/c1-3-22(4-2)14-6-5-13-11-15(20(27)28-16(13)12-14)19(26)21-9-10-23-17(24)7-8-18(23)25/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,26)/b10-9-",OJBZDUMTXGGVSP-KTKRTIGZSA-N
DB02800,,"5-hydroxymethyl-5,6-dihydrofolic acid",experimental,,,,,,THF,,ZINC000012502643,,,,45981,135403828,NC1=NC2=C(N(CO)[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8,12-13,22,28H,5-7,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m0/s1",IIEPLRAFVCMHQF-STQMWFEESA-N
DB02801,227002-11-1,"2,3-Anhydro-quinic acid",experimental,,,,,,FA1,,,CHEMBL190265,50170812,,,445905,[H][C@@]1(O)C[C@@](O)(C=C[C@@]1([H])O)C(O)=O,"InChI=1S/C7H10O5/c8-4-1-2-7(12,6(10)11)3-5(4)9/h1-2,4-5,8-9,12H,3H2,(H,10,11)/t4-,5-,7+/m1/s1",VTEDVYGIJPLVFF-XAHCXIQSSA-N
DB02802,,3-(alpha-D-Galactopyranosyloxy)-5-nitrobenzamide,experimental,,,,,,FNG,,ZINC000016051393,,,,,446958,[H]N([H])C(=O)C1=CC(=CC(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C1)[N+]([O-])=O,"InChI=1S/C13H16N2O9/c14-12(20)5-1-6(15(21)22)3-7(2-5)23-13-11(19)10(18)9(17)8(4-16)24-13/h1-3,8-11,13,16-19H,4H2,(H2,14,20)/t8-,9+,10+,11-,13+/m1/s1",BYSXBFJVGIOFBO-LNSPPBFMSA-N
DB02803,,"3-Phenyl-1,2-Propandiol",experimental,,,,,,,,ZINC000003581280,,,,,446127,OC[C@@H](O)CC1=CC=CC=C1,"InChI=1S/C9H12O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1",JHWQMXKQJVAWKI-VIFPVBQESA-N
DB02804,,A-98881,experimental,,,,,,A88,,ZINC000003833857,CHEMBL443030,194,,,447923,[H][C@@]1(O)CN(CC2=CC=CC=C2)N(CC2=CC(OC)=C(O)C=C2)C(=O)N(CC2=CC(OC)=C(O)C=C2)[C@]1([H])CC1=CC=CC=C1,"InChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3/t28-,31-/m1/s1",PMBZSBGCSQGJAQ-GRKNLSHJSA-N
DB02805,,Arabinouridine 3'-phosphate,experimental,,,,,,UA3,,,CHEMBL460901,50292724,,,6915836,[H]N1C(=O)C=CN([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]2O)C1=O,"InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1",FOGRQMPFHUHIGU-PXBUCIJWSA-N
DB02806,109-86-4,2-Methoxyethanol,experimental,,,,,,MXE,,ZINC000001591817,CHEMBL444144,,,46790,8019,COCCO,"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3",XNWFRZJHXBZDAG-UHFFFAOYSA-N
DB02807,,3-deoxy-D-lyxo-hexonic acid,experimental,,,,,,RSH,,ZINC000001696607,,,,,5289313,[H][C@](O)(C[C@@]([H])(O)[C@]([H])(O)CO)C(O)=O,"InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1",YGMNHEPVTNXLLS-MROZADKFSA-N
DB02808,,Trifluorofurnesyl Diphosphate,experimental,,,,,,FFF,,ZINC000002047050,,,,,449547,CC(C)=CCC\C(C)=C\CC\C(=C\CO[P@@](=O)(O)OP(O)(O)=O)C(F)(F)F,"InChI=1S/C15H25F3O7P2/c1-12(2)6-4-7-13(3)8-5-9-14(15(16,17)18)10-11-24-27(22,23)25-26(19,20)21/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,22,23)(H2,19,20,21)/b13-8+,14-10-",PXLMLAFPAPGGKK-GVCYOOEQSA-N
DB02809,,"Brodimoprim-4,6-Dicarboxylate",experimental,,,,,,BDM,,,,,,,5287754,COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OCCC[C@@H](CCC([O-])=O)C([O-])=O)=C1Br,"InChI=1S/C20H25BrN4O6/c1-30-14-8-11(7-13-10-24-20(23)25-18(13)22)9-15(17(14)21)31-6-2-3-12(19(28)29)4-5-16(26)27/h8-10,12H,2-7H2,1H3,(H,26,27)(H,28,29)(H4,22,23,24,25)/p-1/t12-/m0/s1",SZAVCZNFKJSWRN-LBPRGKRZSA-M
DB02810,26239-55-4,N-(2-Acetamido)Iminodiacetic Acid,experimental,,,,,,MHA,,ZINC000002545127,,,,43960,117765,NC(=O)CN(CC(O)=O)CC(O)=O,"InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)",QZTKDVCDBIDYMD-UHFFFAOYSA-N
DB02811,762-04-9,Diethyl phosphonate,experimental,,,,,,DEP,,ZINC000150339148,,,,41962,220224,[H]P(=O)(OCC)OCC,"InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3",MJUJXFBTEFXVKU-UHFFFAOYSA-N
DB02812,,RWJ-56423,experimental,,,,,,ABB,,ZINC000003916454,CHEMBL256892,50228764,,,5287596,[H]N([H])C(=NCCC[C@H](N([H])C(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C(=O)C1=NC2=CC=CC=C2S1)N([H])[H],"InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1",VXDAVYUFYPFGDX-SNPRPXQTSA-N
DB02813,19026-22-3,"2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone",experimental,,,,,,GDL,,ZINC000005438581,,,,42870,87901,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O,"InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1",NELQYZRSPDCGRQ-DBRKOABJSA-N
DB02814,,3'-Deazo-Thiamin Diphosphate,experimental,,,,,,N3T,,,,,,,5180213,CC1=C(CCO[P@](O)(=O)O[P@](O)([O-])=O)SC=[N+]1CC1=C(N)C=C(C)N=C1,"InChI=1S/C13H19N3O7P2S/c1-9-5-12(14)11(6-15-9)7-16-8-26-13(10(16)2)3-4-22-25(20,21)23-24(17,18)19/h5-6,8H,3-4,7H2,1-2H3,(H4-,14,15,17,18,19,20,21)",NWZZJKMZTWGIFE-UHFFFAOYSA-N
DB02816,,"7-(1-Methyl-1,2,3-Triazol-4-Yl)-6-Formyl-2,7-Dihydro-[1,4]Thiazepine-3-Carboxylic Acid, Brl42715, C6-(N1-Methyl-1,2,3-Triazolylmethylene)Penem",experimental,,,,,,FDT,,ZINC000103541321,,,,,5288206,[H][C@@]1(SC=C(NC=C1C=O)C(O)=O)C1=CN(C)N=N1,"InChI=1S/C10H10N4O3S/c1-14-3-7(12-13-14)9-6(4-15)2-11-8(5-18-9)10(16)17/h2-5,9,11H,1H3,(H,16,17)/t9-/m0/s1",BCPHJDLBOJMWOD-VIFPVBQESA-N
DB02817,,5-Exo-Hydroxycamphor,experimental,,,,,,CAH,,,,,,15398,447414,[H][C@@]1(O)C[C@@]2(C)C(=O)C[C@]1([H])C2(C)C,"InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1",DJQYBVLXBVJHMU-PJKMHFRUSA-N
DB02818,,Iodo-Willardiine,experimental,,,,,,IWD,,ZINC000002047688,CHEMBL121915,50060627,,,447196,N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O,"InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1",AXXYLTBQIQBTES-BYPYZUCNSA-N
DB02819,,"Mono-[3,4-Dihydroxy-5-(5-Methyl-Benzoimidazol-1-Yl)-Tetrahydor-Furan-2-Ylmethyl] Ester",experimental,,,,,,RMB,,ZINC000005892588,,,,,446491,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=C2C=CC(C)=C3)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C13H17N2O7P/c1-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(22-13)5-21-23(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1",HGUDFQQPANTQEU-LPWJVIDDSA-N
DB02820,,"1-Azepan-1-Yl-2-Phenyl-2-(4-Thioxo-1,4-Dihydro-Pyrazolo[3,4-D]Pyrimidin-5-Yl)Ethanone Adduct",experimental,,,,,,TDT,,,,,,,,[H][C@@](N1C=NC2=NN(C=C2C1=S)[C@@]1([H])C=CN(C=C1C([O-])=N)[C@]1([H])O[C@]([H])(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])([O-])[C@]2([H])[O-])[C@@]([H])(O)[C@@]1([H])O)(C(=O)N1CCCCCC1)C1=CC=CC=C1,"InChI=1S/C40H46N12O15P2S/c41-33-27-36(44-18-43-33)51(19-45-27)39-32(56)30(54)26(66-39)17-64-69(61,62)67-68(59,60)63-16-25-29(53)31(55)38(65-25)49-13-10-24(22(14-49)34(42)57)52-15-23-35(47-52)46-20-50(40(23)70)28(21-8-4-3-5-9-21)37(58)48-11-6-1-2-7-12-48/h3-5,8-10,13-15,18-20,24-26,28-32,38-39,53,55H,1-2,6-7,11-12,16-17H2,(H2,42,57)(H,59,60)(H,61,62)(H2,41,43,44)/q-2/p-2/t24-,25+,26+,28-,29+,30+,31+,32+,38+,39+/m0/s1",XHBACRZQFHLVAV-LFFSAXSQSA-L
DB02821,496-93-5,Canaline,experimental,,,,,,CAN,,ZINC000001531042,CHEMBL1231652,,,145769,441443,NOCC[C@H](N)C(O)=O,"InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",FQPGMQABJNQLLF-VKHMYHEASA-N
DB02822,873-75-6,Para-Bromobenzyl Alcohol,experimental,,,,,,BRB,,ZINC000000404753,CHEMBL184410,50150787,,,70119,OCC1=CC=C(Br)C=C1,"InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",VEDDBHYQWFOITD-UHFFFAOYSA-N
DB02823,4408-78-0,Phosphonoacetic Acid,experimental,,,,,,PAE,,ZINC000003869741,CHEMBL50300,50008089,FOSFONET SODIUM,15732,546,OC(=O)CP(O)(O)=O,"InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",XUYJLQHKOGNDPB-UHFFFAOYSA-N
DB02824,,N-Pyridoxyl-Glycine-5-Monophosphate,experimental,,,,,,PLG,,ZINC000002046831,,,,,445062,CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O,"InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)",FEVQWBMNLWUBTF-UHFFFAOYSA-N
DB02825,,Methylphosphinate,experimental,,,,,,VXA,,,,,,,,CP([O-])=O,"InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/p-1",BCDIWLCKOCHCIH-UHFFFAOYSA-M
DB02827,,"7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid",experimental,,,,,,DBD,,ZINC000001550590,CHEMBL577144,50299461,,,446871,[H][C@@]1(COC2=NS(=O)(=O)C3=C2C=CC=C3)OCCC2=C1SC(NC(=O)C(O)=O)=C2C(O)=O,"InChI=1S/C18H14N2O9S2/c21-14(18(24)25)19-16-12(17(22)23)9-5-6-28-10(13(9)30-16)7-29-15-8-3-1-2-4-11(8)31(26,27)20-15/h1-4,10H,5-7H2,(H,19,21)(H,22,23)(H,24,25)/t10-/m0/s1",MDYIGSPVMWSFEZ-JTQLQIEISA-N
DB02828,76385-49-4,5-Fluorolevulinic Acid,experimental,,,,,,LAF,,,,82192,,,131153,OC(=O)CCC(=O)CF,"InChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)",MBVLGMJBSFUHKW-UHFFFAOYSA-N
DB02829,,4-(Acetylamino)-3-[(Aminoacetyl)Amino]Benzoic Acid,experimental,,,,,,ST6,,,,,,,446325,CC(=O)NC1=CC=C(C=C1NC(=O)C[NH3+])C(O)=O,"InChI=1S/C11H13N3O4/c1-6(15)13-8-3-2-7(11(17)18)4-9(8)14-10(16)5-12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)/p+1",FJGXEWVOOHZQDN-UHFFFAOYSA-O
DB02830,,FR236913,experimental,,,,,,FR9,,ZINC000012502694,CHEMBL125386,22937,,,447546,[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)NCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O,"InChI=1S/C24H26N6O3/c25-23(32)21-14-30(16-27-21)20(15-31)9-11-29-10-8-18-6-7-19(12-22(18)29)28-24(33)26-13-17-4-2-1-3-5-17/h1-8,10,12,14,16,20,31H,9,11,13,15H2,(H2,25,32)(H2,26,28,33)/t20-/m1/s1",KCCUBLLGAMGDJL-HXUWFJFHSA-N
DB02831,29505-79-1,Dihydrogenphosphate,experimental,,,,,,2HP,,,,50155534,,39745,19972274,[H]OP([O-])(=O)O[H],"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1",NBIIXXVUZAFLBC-UHFFFAOYSA-M
DB02832,52553-42-1,Siroheme,experimental,,,,,,SRM,,,,,,,11968291,C[C@@]1(CC(O)=O)C2=CC3=C(CC(O)=O)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(CCC(O)=O)[C@](C)(CC(O)=O)C8=CC(N2[Fe@]6(N34)N78)=C1CCC(O)=O)C(CC(O)=O)=C5CCC(O)=O,"InChI=1S/C42H42N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62);/q-4;+4/b25-13-,27-14-,31-15-,32-16-;/t41-,42-;/m0./s1",PGYXHNRRBJLFEV-NBUGCWMUSA-N
DB02833,,[4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine,experimental,,,,,,CK7,,,CHEMBL298445,50229973,,,447961,CC1=C(SC(N)=N1)C1=NC(NC2=CC=CC(=C2)[N+]([O-])=O)=NC=C1,"InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)",DYTKVFHLKPDNRW-UHFFFAOYSA-N
DB02834,,IDD552,experimental,,,,,,ID5,,ZINC000012080872,CHEMBL399598,50222611,,,448658,OC(=O)COC1=CC(F)=CC=C1C(=O)NCC1=NC2=C(S1)C(F)=CC(F)=C2F,"InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25)",ZCAGEXZTORJQDZ-UHFFFAOYSA-N
DB02835,10139-18-1,"Alpha-D-Glucose 1,6-Bisphosphate",experimental,,,,,,G16,,ZINC000004095589,,,,18148,82400,O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O,"InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1",RWHOZGRAXYWRNX-VFUOTHLCSA-N
DB02836,,Guanosine 5'-diphosphate 2':3'-cyclic monophosphate,experimental,,,,,,GPX,,ZINC000016051591,,,,,135460989,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@]2([H])O[P@](O)(=O)O[C@@]12[H],"InChI=1S/C10H14N5O13P3/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(26-31(22,23)27-6)3(25-9)1-24-30(20,21)28-29(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1",NGYWTCOGOZELRS-UUOKFMHZSA-N
DB02837,30591-62-9,4-(Hydrogen sulfate)-beta-D-galactopyranose,experimental,,,,,,G4S,,ZINC000005829864,,,,,446807,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OS(O)(=O)=O,"InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1",LOTQRUGOUKUSEY-DGPNFKTASA-N
DB02838,,"3,4-Dihydro-2h-Pyrrolium-5-Carboxylate",experimental,,,,,,2PC,,,CHEMBL18591,,,36761,440046,[O-]C(=O)C1=[NH+]CCC1,"InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)",RHTAIKJZSXNELN-UHFFFAOYSA-N
DB02839,89-86-1,"2,4-Dihydroxybenzoic Acid",experimental,,,,1368632,,DOB,,ZINC000000388544,CHEMBL328910,74208,,,1491,OC(=O)C1=CC=C(O)C=C1O,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",UIAFKZKHHVMJGS-UHFFFAOYSA-N
DB02840,,"4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid",experimental,,,,,,4BC,,ZINC000008466460,CHEMBL178130,50161650,,,656974,CCC1=C(O)C=C(O)C(=C1)C1=NNC(C(O)=O)=C1C1=CC=C2OCOC2=C1,"InChI=1S/C19H16N2O6/c1-2-9-5-11(13(23)7-12(9)22)17-16(18(19(24)25)21-20-17)10-3-4-14-15(6-10)27-8-26-14/h3-7,22-23H,2,8H2,1H3,(H,20,21)(H,24,25)",LCTWZJKHOGKNMX-UHFFFAOYSA-N
DB02841,,[(2-Ethoxy-1-Naphthoyl)Amino]Methylboronic Acid,experimental,,,,,,NBF,,ZINC000169748477,CHEMBL1234635,39812,,,5288987,CCOC1=C(C(=O)NCB(O)O)C2=C(C=CC=C2)C=C1,"InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)",VGXJNGVFESCMME-UHFFFAOYSA-N
DB02842,,9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide,experimental,,,,,,7AD,,ZINC000005957683,CHEMBL287038,,,,150238,CN(C)CCCNC(=O)C1=CC=CC2=C(N)C3=C(C=CC=C3)N=C12,"InChI=1S/C19H22N4O/c1-23(2)12-6-11-21-19(24)15-9-5-8-14-17(20)13-7-3-4-10-16(13)22-18(14)15/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,22)(H,21,24)",VNWAULKXOPRJEL-UHFFFAOYSA-N
DB02843,59-56-3,alpha-D-glucose-1-phosphate,experimental,,,,,,G1P,3265,ZINC000004073375,,,,29042,65533,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1",HXXFSFRBOHSIMQ-VFUOTHLCSA-N
DB02844,76426-40-9,"S-Adenosyl-1,8-Diamino-3-Thiooctane",experimental,,,,,,AAT,,,,,,,54325748,[H][C@]1(CSC(CCCCCN)=CCN)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C18H29N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h5,9-10,12,14-15,18,26-27H,1-4,6-8,19-20H2,(H2,21,22,23)/t12-,14-,15-,18-/m1/s1",SUUGLGYBZXSJAA-SCFUHWHPSA-N
DB02845,4206-94-4,Methylphosphinic Acid,experimental,,,,,,,,,,,,,3396560,CP(O)=O,"InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)",BCDIWLCKOCHCIH-UHFFFAOYSA-N
DB02846,2756-91-4,L-thioproline,experimental,,,,,,PRS,,ZINC000000967473,CHEMBL1235440,50357232,,45171,6973609,[H][C@]1(CSCN1)C(O)=O,"InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1",DZLNHFMRPBPULJ-VKHMYHEASA-N
DB02847,,"(2s,3r)-1-Amino-2-Methylbutane-2,3-Diol",experimental,,,,,,TSI,,,,,,,445278,[H][C@](C)(O)[C@@](C)(O)CN,"InChI=1S/C5H13NO2/c1-4(7)5(2,8)3-6/h4,7-8H,3,6H2,1-2H3/t4-,5+/m1/s1",CNLUNMTZBAHKFI-UHNVWZDZSA-N
DB02848,,"{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol",experimental,,,,,,PFE,,ZINC000002047838,CHEMBL123678,50117957,,,5740,CCOC1=C(OCC)C=C2C(NC3=CC=CC(=C3)C3=CSC(CO)=N3)=NC=NC2=C1,"InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)",ZJESXGUODSBHSK-UHFFFAOYSA-N
DB02849,,N-Pyridoxyl-1-Amino-Cyclopropanecarboxylic Acid-5-Monophosphate,experimental,,,,,,5PA,,ZINC000002046991,,,,,4324,CC1=NC=C(COP(O)(O)=O)C(CNC2(CC2)C(O)=O)=C1O,"InChI=1S/C12H17N2O7P/c1-7-10(15)9(5-14-12(2-3-12)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20)",ZMHRUAWWUAOOQN-UHFFFAOYSA-N
DB02850,,DAS869,experimental,,,,,,869,,,CHEMBL1230604,,,40290,,COC1=CC=C(C=C1)C1=C(C)C(=CC=C1S(C)(=O)=O)C(=O)C1=C(O)N(N=C1)C(C)(C)C,"InChI=1S/C23H26N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,27H,1-6H3",AVFXBZIGDFPGBY-UHFFFAOYSA-N
DB02851,7519-74-6,Thiocamphor,experimental,,,,,,TCM,,ZINC000002028342,,,,,1714210,[H][C@@]12CC[C@@](C)(C(=S)C1)C2(C)C,"InChI=1S/C10H16S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",AAADKYXUTOBAGS-XCBNKYQSSA-N
DB02852,14277-97-5,Domoic Acid,experimental,,,,,,DOQ,,ZINC000003995581,CHEMBL1232313,,,34727,5282253,[H]\C(\C(\[H])=C(\C)[C@@]1([H])CN[C@]([H])(C(O)=O)[C@@]1([H])CC(O)=O)=C(\[H])[C@@]([H])(C)C(O)=O,"InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1",VZFRNCSOCOPNDB-AOKDLOFSSA-N
DB02853,344-25-2,D-Proline,experimental,"['1426150', '16480744']",,,,,DPR,,ZINC000000895071,CHEMBL80257,50357224,,16313,8988,OC(=O)[C@H]1CCCN1,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",ONIBWKKTOPOVIA-SCSAIBSYSA-N
DB02854,53-42-9,Aetiocholanolone,experimental,,,,,,AE2,,ZINC000003875364,CHEMBL85799,50191348,,28195,5880,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1",QGXBDMJGAMFCBF-BNSUEQOYSA-N
DB02855,134448-10-5,N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline,experimental,,,,,,074,,ZINC000015894720,,,,,5287408,[H][C@](O)(CC(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(O)=O)[C@@]([H])(C)CC)C(=O)NCCC,"InChI=1S/C18H31N3O6/c1-4-8-19-16(24)13(22)10-14(23)20-15(11(3)5-2)17(25)21-9-6-7-12(21)18(26)27/h11-13,15,22H,4-10H2,1-3H3,(H,19,24)(H,20,23)(H,26,27)/t11-,12-,13-,15-/m0/s1",UDNIFTKCMDIXFC-ABHRYQDASA-N
DB02856,105-40-8,Ethyl N-methylcarbamate,experimental,,,,,,EMB,,ZINC000001648261,CHEMBL1232511,,,,7752,CCOC(=O)NC,"InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)",SURZCVYFPAXNGN-UHFFFAOYSA-N
DB02857,118-00-3,Guanosine,"['experimental', 'investigational']",,,,1591890,,GMP,,ZINC000001550030,CHEMBL375655,50366814,,16750,135398635,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1",NYHBQMYGNKIUIF-UUOKFMHZSA-N
DB02858,,3-(4-Benzenesulfonyl-Thiophene-2-Sulfonylamino)-Phenylboronic Acid,experimental,,,,,,ETP,,ZINC000169748478,CHEMBL113381,50115616,,,1475,OB(O)C1=CC(NS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C2=CC=CC=C2)=CC=C1,"InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H",YZOKHYPIQNIFRQ-UHFFFAOYSA-N
DB02859,122547-72-2,Soraphen A,experimental,,,,,,S1A,,,CHEMBL1235782,,,9200,5281897,[H]\C1=C([H])/[C@@]([H])(OC)[C@]([H])(CCCC[C@]([H])(OC(=O)[C@@]([H])(C)[C@@]2(O)O[C@]([H])([C@@]([H])(C)[C@]([H])(O)[C@@]2([H])OC)[C@@]1([H])C)C1=CC=CC=C1)OC,"InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1",WPMGNXPRKGXGBO-OFQQMTDKSA-N
DB02860,101932-71-2,Calyculin A,experimental,,,,,,CYU,,,CHEMBL430266,50110681,,,5311365,[H][C@@]1(O[C@]2(C[C@@H](O)[C@H](C)[C@H](C\C=C\C3=COC(=N3)[C@@H](C)CCNC(=O)[C@@H](O)[C@@H](O)[C@H](COC)N(C)C)O2)C(C)(C)[C@H]1OP(O)(O)=O)[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC,"InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1",FKAWLXNLHHIHLA-YCBIHMBMSA-N
DB02861,,"4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide",experimental,,,,,,IOF,,ZINC000003581205,,12022,,,446242,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=C(F)C(F)=C1,"InChI=1S/C14H11F3N2O3S/c15-11-5-8(6-12(16)13(11)17)7-19-14(20)9-1-3-10(4-2-9)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)",DEHMSTGBNAXEGX-UHFFFAOYSA-N
DB02862,,Gluco-Phenylimidazole,experimental,,,,,,IDD,,ZINC000033821368,,,,,5288604,[H][C@]1(CO)N2C=C(N=C2[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O)C1=CC=CC=C1,"InChI=1S/C14H16N2O4/c17-7-10-11(18)12(19)13(20)14-15-9(6-16(10)14)8-4-2-1-3-5-8/h1-6,10-13,17-20H,7H2/t10-,11-,12+,13-/m1/s1",DLVNFMROYKHANV-FVCCEPFGSA-N
DB02864,,Biliverdin Ix Gamma Chromophore,experimental,,,,,,BLV,,ZINC000014880505,,,,,,[H]\C(=C1\N\C(=C(\[H])C2=NC(=O)C(CCC(O)=O)=C2C)C(C=C)=C1C)C1=C(C=C)C(C)=C(N1)C(\[H])=C1/N=C(O)C(CCC(O)=O)=C1C,"InChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-18(5)22(32(42)36-26)9-11-30(38)39)34-28(20)14-25-17(4)21(8-2)29(35-25)15-27-19(6)23(33(43)37-27)10-12-31(40)41/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b25-14-,26-13-,29-15-",ISQGGWQAVOHBFX-BGSBWKAWSA-N
DB02865,,Glucosamine 4-Phosphate,experimental,,,,,,Z9M,,ZINC000005830009,,,,,448057,N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]1O,"InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1",QWDBGVNDGYUIAC-QZABAPFNSA-N
DB02866,,Dansylamide,experimental,,,,,,MNS,,ZINC000000056543,CHEMBL119489,,,,65077,CN(C)C1=C2C=CC=C(C2=CC=C1)S(N)(=O)=O,"InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)",TYNBFJJKZPTRKS-UHFFFAOYSA-N
DB02867,,D-Mannose 1-Phosphate,experimental,,,,,,M1P,,,,,,35374,644175,OC[C@H]1OC(OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1",HXXFSFRBOHSIMQ-QTVWNMPRSA-N
DB02868,165659-77-8,Deacetoxyvinzolidine,experimental,,,,,,KAR,,ZINC000098209070,,,,,157684,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)(C[C@@]22OC(=O)N(CCCl)C2=O)[C@@]13[H])[C@]1(C[C@H]2CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC,"InChI=1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1",NUXKIZBEPYVRKP-RWBWKAGLSA-N
DB02869,,3-amino-5-phenylpentane,experimental,,,,,,NFP,,,,,,,54560057,[H][C@](N)(CCC1=CC=CC=C1)C=CS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/t16-/m0/s1",ZPXIQFOUPUVVPU-INIZCTEOSA-N
DB02870,589-09-3,N-Allylaniline,experimental,,,,,,NYL,,ZINC000012363587,CHEMBL1234871,,,,68525,C=CCNC1=CC=CC=C1,"InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2",LQFLWKPCQITJIH-UHFFFAOYSA-N
DB02871,,3-Butylthiolane 1-Oxide,experimental,,,,,,SSB,,,,,,,9543528,[H][C@]1(CCCC)CC[S@](=O)C1,"InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10-/m0/s1",QVVQIIIFHZDBDL-WPRPVWTQSA-N
DB02872,,"Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone",experimental,,,,,,IMZ,,ZINC000028467964,CHEMBL407632,50392531,,,5288631,[H][C@]1(N=C(N(C(=O)N2CCN(CCO)CC2)[C@]1([H])C1=CC=C(Br)C=C1)C1=C(OCC)C=C(OC)C=C1)C1=CC=C(Br)C=C1,"InChI=1S/C31H34Br2N4O4/c1-3-41-27-20-25(40-2)12-13-26(27)30-34-28(21-4-8-23(32)9-5-21)29(22-6-10-24(33)11-7-22)37(30)31(39)36-16-14-35(15-17-36)18-19-38/h4-13,20,28-29,38H,3,14-19H2,1-2H3/t28-,29+/m0/s1",PVRYEWOXWGDQHA-URLMMPGGSA-N
DB02873,,"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One",experimental,,,,,,DQO,,ZINC000012502758,CHEMBL94417,15241,,,4630909,FC1=CC=C(C(F)=C1)C1=C2CNC(=O)N(C2=CC(=C1)N1CCNCC1)C1=C(Cl)C=CC=C1Cl,"InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33)",YAWZIQKDHQIHOS-UHFFFAOYSA-N
DB02875,,CRA_1802,experimental,,,,,,802,,ZINC000002047580,CHEMBL92277,50102777,,,447502,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(F)=CC=C1[O-],"InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)",JOGOACSSLJEREC-UHFFFAOYSA-N
DB02876,,"3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid",experimental,,,,,,DVR,,ZINC000150339198,,,,,,[H]C(=C([H])C(\CS(=O)=O)=C(\NC1=C(C=O)C=C2C=CC=CN12)C(O)=O)C(O)=N,"InChI=1S/C16H15N3O6S/c17-13(21)5-4-10(9-26(24)25)14(16(22)23)18-15-11(8-20)7-12-3-1-2-6-19(12)15/h1-8,18,26H,9H2,(H2,17,21)(H,22,23)/b5-4+,14-10-",ARSFRLAHCNFFCE-IBXIYJDRSA-N
DB02877,71441-28-6,Arotinoid acid,experimental,,,,,,TTB,,ZINC000004475360,CHEMBL275311,50032219,,75261,5289501,C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C,"InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+",FOIVPCKZDPCJJY-JQIJEIRASA-N
DB02878,,3-(2-Aminoethyl)-4-(Aminomethyl)Heptanedioic Acid,experimental,,,,,,PB1,,ZINC000012502763,,,,,5289108,[H][C@](CN)(CCC(O)=O)[C@]([H])(CCN)CC(O)=O,"InChI=1S/C10H20N2O4/c11-4-3-7(5-10(15)16)8(6-12)1-2-9(13)14/h7-8H,1-6,11-12H2,(H,13,14)(H,15,16)/t7-,8-/m1/s1",QMRGRIXXWLVLTR-HTQZYQBOSA-N
DB02879,,"2,3-Di-O-Sulfo-Alpha-D-Glucopyranose",experimental,,,,,,PDX,,ZINC000031976877,,,,,447561,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(OS(O)(=O)=O)[C@@]1([H])OS(O)(=O)=O,"InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m1/s1",ORUZACWROKWTRH-DVKNGEFBSA-N
DB02880,163669-81-6,N-[(1R)-1-(4-Bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide,experimental,,,,,,BFS,,,CHEMBL38912,50078284,,,5496910,[H]N([C@H](C)C1=CC=C(Br)C=C1)C(=O)C1=C(O)C=CC(F)=C1,"InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1",KFTNEILVDDUXGR-SECBINFHSA-N
DB02881,,4-(4-Hydroxy-3-Isopropylphenylthio)-2-Isopropylphenol,experimental,,,,,,178,,ZINC000005963381,,,,,448797,CC(C)C1=CC(SC2=CC=C(O)C(=C2)C(C)C)=CC=C1O,"InChI=1S/C18H22O2S/c1-11(2)15-9-13(5-7-17(15)19)21-14-6-8-18(20)16(10-14)12(3)4/h5-12,19-20H,1-4H3",NEMLLZAROZVCCE-UHFFFAOYSA-N
DB02882,,Cyanocinnoline,experimental,,,,,,MQ0,,ZINC000263620329,,,,,6323416,NCC1=C(N=CC=C(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2N=N1,"InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,17,25H2",CUWRVIIPSSUUDJ-UHFFFAOYSA-N
DB02883,,"2',3'-Dideoxycytidine-5'-Monophosphate",experimental,,,,,,DOC,,ZINC000001611080,CHEMBL1232305,50349537,,,446696,NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](COP(O)(O)=O)O1,"InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1",RAJMXAZJKUGYGW-POYBYMJQSA-N
DB02884,27527-05-5,3-Cyclohexyl-L-alanine,experimental,,,,,,ALC,,ZINC000012368795,CHEMBL383208,50179725,,,42555571,N[C@@H](CC1CCCCC1)C(O)=O,"InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1",ORQXBVXKBGUSBA-QMMMGPOBSA-N
DB02885,,4-Imino-5-Methidyl-2-Trifluoromethylpyrimidine,experimental,,,,,,IFP,,,,,,,4635111,FC(F)(F)C1=NC(=N)C(=C)C=N1,"InChI=1S/C6H4F3N3/c1-3-2-11-5(6(7,8)9)12-4(3)10/h2,10H,1H2",YKFRUALXTUDSBW-UHFFFAOYSA-N
DB02887,26194-89-8,Stavudine triphosphate,experimental,,,,,,D4T,,,CHEMBL485652,50370655,,,65355,CC1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O,"InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1",ODSQODTUNULBHF-JGVFFNPUSA-N
DB02888,,FKB-001,experimental,,,,,,001,,ZINC000003962705,,,,39485,446414,COC1=CC(=CC(OC)=C1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC1=CC=CC=C1)CCCC1=CN=CC=C1,"InChI=1S/C35H42F2N2O6/c1-42-30-22-27(23-31(43-2)32(30)44-3)35(36,37)34(41)39-21-8-7-19-29(39)33(40)45-28(17-9-14-25-12-5-4-6-13-25)18-10-15-26-16-11-20-38-24-26/h4-6,11-13,16,20,22-24,28-29H,7-10,14-15,17-19,21H2,1-3H3/t28-,29-/m0/s1",NBYCDVVSYOMFMS-VMPREFPWSA-N
DB02889,,"4-O-(4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Beta-D-Lyxo-Hexopyranosyl)-Alpha-D-Erythro-Hexopyranose",experimental,,,,,,,,ZINC000016051654,CHEMBL1230193,50120852,,,449164,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1",SNMISNLUIRCRQE-SFSRYZOZSA-N
DB02890,29741-00-2,6-hydroxyuridine-5'-phosphate,experimental,,,,,,BMP,,ZINC000024479522,CHEMBL383923,50199178,,,161647,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1O,"InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1",UDOBICLZEKUKCV-YXZULKJRSA-N
DB02891,41814-78-2,Tricyclazole,"['experimental', 'investigational']",,,,,,BEA,,ZINC000002006632,CHEMBL357021,50182418,,81783,39040,CC1=C2N3C=NN=C3SC2=CC=C1,"InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3",DQJCHOQLCLEDLL-UHFFFAOYSA-N
DB02892,,L-2-Amino-6-Methylene-Pimelic Acid,experimental,,,,,,2NP,,ZINC000002046788,,,,,445478,N[C@@H](CCCC(=C)C(O)=O)C(O)=O,"InChI=1S/C8H13NO4/c1-5(7(10)11)3-2-4-6(9)8(12)13/h6H,1-4,9H2,(H,10,11)(H,12,13)/t6-/m0/s1",SGAIRWMSXVAPOO-LURJTMIESA-N
DB02893,348-67-4,D-Methionine,"['experimental', 'approved', 'investigational']",,,,,,MED,,ZINC000001532766,CHEMBL1234268,50463194,,57932,84815,CSCC[C@@H](N)C(O)=O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1",FFEARJCKVFRZRR-SCSAIBSYSA-N
DB02894,,"Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester",experimental,,,,,,SMS,,ZINC000014277355,CHEMBL417656,13057,,,445393,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OS(=O)(=O)O2,"InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1",GGOAQSGCBDRTHT-JAKMQLQISA-N
DB02895,,3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol,experimental,,,,,,AJ3,,ZINC000107542914,,,,,9543424,S\C=C\C[S@](=O)CC=C,"InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m1/s1",HSVQDVSVQIMRSS-CDAZIORVSA-N
DB02896,342-69-8,Methylthioinosine,experimental,,,,,,MTP,,ZINC000000519128,CHEMBL388931,50412071,,44081,9570,CSC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1",ZDRFDHHANOYUTE-IOSLPCCCSA-N
DB02897,,Acetylphosphate,experimental,,,,,,UVW,,ZINC000003869379,,,,15350,186,CC(=O)OP(O)(O)=O,"InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)",LIPOUNRJVLNBCD-UHFFFAOYSA-N
DB02898,,(5R)-5-{[(2-Amino-3H-purin-6-yl)oxy]methyl}-2-pyrrolidinone,experimental,,,,,,UN4,,ZINC000005955002,CHEMBL271591,5515,,,445966,NC1=NC2=C(N=CN2)C(OC[C@H]2CCC(=O)N2)=N1,"InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m1/s1",UYPMMHCTXQIWDX-RXMQYKEDSA-N
DB02899,,N-Carboxymethionine,experimental,,,,,,CXM,,ZINC000035264110,,,,41696,17753927,[H][C@@](CCSC)(NC(O)=O)C(O)=O,"InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1",LWQBAQJPCYBWJQ-BYPYZUCNSA-N
DB02900,40436-60-0,alpha-D-mannose 6-phosphate,experimental,,,,,,M6P,,ZINC000004096188,CHEMBL402001,,,43896,447096,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1",NBSCHQHZLSJFNQ-PQMKYFCFSA-N
DB02901,521-18-6,Stanolone,"['illicit', 'investigational']",,"['A14AA01', 'G03BB02']",D07456,,,DHT,3927,ZINC000003814360,CHEMBL27769,18161,,16330,10635,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",NVKAWKQGWWIWPM-ABEVXSGRSA-N
DB02902,482-67-7,3'-phospho-5'-adenylyl sulfate,experimental,,,,,,PPS,,ZINC000004228233,,,,17980,10214,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1",GACDQMDRPRGCTN-KQYNXXCUSA-N
DB02903,,"1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane",experimental,,,,,,BV3,,,,,,,135678100,NC(CO\C(O)=N\CCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(OC4OC(CO)C(O)C(O)C4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O)CO\C(O)=N\CCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O,"InChI=1S/C63H91N15O26/c64-37(33-99-62(93)71-11-9-67-46-44(50(83)52(46)85)65-5-1-13-73-17-21-75(22-18-73)15-3-7-69-58(91)35-25-38(77(95)96)29-40(27-35)101-60-56(89)54(87)48(81)42(31-79)103-60)34-100-63(94)72-12-10-68-47-45(51(84)53(47)86)66-6-2-14-74-19-23-76(24-20-74)16-4-8-70-59(92)36-26-39(78(97)98)30-41(28-36)102-61-57(90)55(88)49(82)43(32-80)104-61/h25-30,37,42-43,48-49,54-57,60-61,65-68,79-82,87-90H,1-24,31-34,64H2,(H,69,91)(H,70,92)(H,71,93)(H,72,94)/t37?,42-,43?,48+,49?,54+,55?,56-,57?,60+,61?/m1/s1",HQTVCYHBYUXJDJ-ISUJOEFPSA-N
DB02904,,Beta-3-Serine,experimental,,,,,,BSE,,ZINC000012502811,,,,,17753872,[H][C@](CN)(CO)C(O)=O,"InChI=1S/C4H9NO3/c5-1-3(2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1",UHLNJPIGFDWGTP-VKHMYHEASA-N
DB02905,,N7-(5'-Phospho-alpha-ribosyl)-2-hydroxypurine,experimental,,,,,,P2P,,ZINC000012502817,,,,,446493,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@H]([C@@H]1O)N1C=NC2=C1C=NC(=O)N2,"InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1",BVZASCINAVSQNO-PULFBKJNSA-N
DB02906,,"(2s,4s)-Alpha-Campholinic Acid",experimental,,,,,,CAX,,ZINC000012502823,,,,191231,5287884,[H][C@@]1(C)C(=O)C[C@@]([H])(CC(O)O)C1(C)C,"InChI=1S/C10H18O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7,9,12-13H,4-5H2,1-3H3/t6-,7+/m1/s1",KAXFPJKKGITBPU-RQJHMYQMSA-N
DB02907,,2-Amino-Vinyl-Phosphate,experimental,,,,,,EAP,,ZINC000006360400,,,,,6120722,N\C=C\OP(O)(O)=O,"InChI=1S/C2H6NO4P/c3-1-2-7-8(4,5)6/h1-2H,3H2,(H2,4,5,6)/b2-1+",KYMLMTPYCDIFEC-OWOJBTEDSA-N
DB02908,,RU78783,experimental,,,,,,787,,ZINC000002047561,CHEMBL148732,14678,,,447537,OP(O)(=O)C(C1=CC=CC=C1)P(O)(O)=O,"InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)",FRLTXWJJMCIUNT-UHFFFAOYSA-N
DB02909,,5-(2-Chlorophenyl)Furan-2-Carboxylic Acid,experimental,,,,,,FCD,,ZINC000000280585,CHEMBL200238,50175442,,,784625,OC(=O)C1=CC=C(O1)C1=CC=CC=C1Cl,"InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)",PJGGWIHXGHQXMM-UHFFFAOYSA-N
DB02910,,Octanoyl-Coenzyme A,experimental,,,,,,CO8,,ZINC000096014975,,,,15533,445344,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1",KQMZYOXOBSXMII-CECATXLMSA-N
DB02911,,"2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine",experimental,,,,,,AP6,,ZINC000003870723,,,,,445109,[H][C@]1(CNC2=C(N1)C(N)=NC(N)=N2)C1=CC=CC=C1,"InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1",VEKRIXRQADJFAG-QMMMGPOBSA-N
DB02912,317-66-8,Propanoyl-CoA,experimental,,,,,,1VU,,ZINC000008551120,,,,15539,92753,CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1",QAQREVBBADEHPA-IEXPHMLFSA-N
DB02914,1224-78-8,Anhydrovitamin A,experimental,,,,,,ANR,,ZINC000049499553,,,,177589,5287678,C\C(C=C)=C/C=C/C(/C)=C/C=C1/C(C)=CCCC1(C)C,"InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-",FWNRILWHNGFAIN-OYUWDNMLSA-N
DB02915,,"4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine",experimental,,,,,,CK4,,ZINC000000603047,CHEMBL48109,8049,,,447958,CC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(C=C2)C(F)(F)F)=N1,"InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)",MEZFDQUDLQCVNX-UHFFFAOYSA-N
DB02916,,"[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate",experimental,,,,,,LMS,,,CHEMBL471144,50454088,,,97576,[H][C@]1(COS(N)(=O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1",GNZLUJQJDPRUTD-KQYNXXCUSA-N
DB02917,,N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide,experimental,,,,,,NHB,,ZINC000005850198,,,,,449096,CN(C1=CC=C(C=C1)C(=O)NO)S(=O)(=O)C1=CC=C(S1)C1=NC=CC=C1,"InChI=1S/C17H15N3O4S2/c1-20(13-7-5-12(6-8-13)17(21)19-22)26(23,24)16-10-9-15(25-16)14-4-2-3-11-18-14/h2-11,22H,1H3,(H,19,21)",LFGYSFPVLMPUPE-UHFFFAOYSA-N
DB02918,101975-10-4,Zardaverine,experimental,,,,,,ZAR,,ZINC000009230249,CHEMBL313842,14769,,46548,5723,COC1=CC(=CC=C1OC(F)F)C1=NNC(=O)C=C1,"InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)",HJMQDJPMQIHLPB-UHFFFAOYSA-N
DB02919,,"2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine",experimental,,,,,,DTM,,ZINC000002047693,CHEMBL32190,50051920,,,447229,COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC,"InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)",PUOZHLHNKHRTOW-UHFFFAOYSA-N
DB02920,,Zn(Ii)-(20-Oxo-Protoporphyrin Ix),experimental,,,,,,ZEM,,,,,,,,CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4N3[Zn]35N2C1=CC1=C(C=C)C(C)=C(C=C2N3C(C(C)=C2C=C)=C4O)N51,"InChI=1S/C34H32N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24;/h7-8,13-15,43H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+4/b24-14-,25-13-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;",JSVWOTJFDAXIOI-GYHFSKQYSA-N
DB02921,,(South)-Methanocarba-Thymidine,experimental,,,,,,SCT,,ZINC000003802232,,,,45586,447628,CC1=CN(C(=O)NC1=O)[C@]12C[C@H]1[C@H](CO)[C@@H](O)C2,"InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8-,9-,12-/m0/s1",XRMLXZVSFIBRRJ-PEFMBERDSA-N
DB02922,,Hexafluoroacetone Hydrate,experimental,,,,,,FAC,,,CHEMBL84242,,,,69617,OC(O)(C(F)(F)F)C(F)(F)F,"InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H",AKVXSYUWYXOLMY-UHFFFAOYSA-N
DB02923,1133-63-7,"Biphenyl-2,3-Diol",experimental,,,,,,BPY,,ZINC000000901387,,,,16205,254,OC1=C(O)C(=CC=C1)C1=CC=CC=C1,"InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H",YKOQAAJBYBTSBS-UHFFFAOYSA-N
DB02924,6909-30-4,"(4R)-limonene 1α,2α-epoxide",experimental,,,,,,LEO,,ZINC000002545304,,,,35669,6857487,CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1",CCEFMUBVSUDRLG-KXUCPTDWSA-N
DB02925,55837-27-9,Piretanide,approved,,"['C03CA03', 'G01AE10']",D01634,33770,,,2201,ZINC000003812930,CHEMBL349803,50240046,,32015,4849,NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O,"InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)",UJEWTUDSLQGTOA-UHFFFAOYSA-N
DB02927,,"Mixed Carbamic Phosphoric Acid Anhydride of 7,8-Diaminononanic Acid",experimental,,,,,,DPU,,ZINC000002046974,,,,,445026,C[C@H](N)[C@@H](CCCCCC(O)=O)NC(=O)OP(O)(O)=O,"InChI=1S/C10H21N2O7P/c1-7(11)8(5-3-2-4-6-9(13)14)12-10(15)19-20(16,17)18/h7-8H,2-6,11H2,1H3,(H,12,15)(H,13,14)(H2,16,17,18)/t7-,8+/m0/s1",UJJZZEABROBUCE-JGVFFNPUSA-N
DB02928,,3-Amino-6-Hydroxy-Tyrosine,experimental,,,,,,TYQ,,,,,,,17754207,N[C@@H](CC1=CC(N)=C(O)C=C1O)C(O)=O,"InChI=1S/C9H12N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,12-13H,2,10-11H2,(H,14,15)/t6-/m0/s1",OIXIYIGKZVEKPI-LURJTMIESA-N
DB02929,145903-06-6,K201 free base,"['experimental', 'investigational']",,,,,,K21,,ZINC000000600324,CHEMBL1233797,,,,1715,COC1=CC=C2SCCN(CC2=C1)C(=O)CCN1CCC(CC2=CC=CC=C2)CC1,"InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3",KCWGETCFOVJEPI-UHFFFAOYSA-N
DB02930,35094-46-3,Adenosine 5'-[gamma-thio]triphosphate,experimental,,,,,,AGS,,ZINC000008295128,CHEMBL131890,50118217,,27575,440317,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O,"InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1",NLTUCYMLOPLUHL-KQYNXXCUSA-N
DB02931,,CoA-s-acetyl tryptamine,experimental,,,,,,COT,,ZINC000169320833,,,,,444837,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)N([H])CCC4=CN([H])C5=CC=CC=C45)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C33H48N9O17P3S/c1-33(2,28(46)31(47)37-10-8-23(43)36-11-12-63-15-24(44)35-9-7-19-13-38-21-6-4-3-5-20(19)21)16-56-62(53,54)59-61(51,52)55-14-22-27(58-60(48,49)50)26(45)32(57-22)42-18-41-25-29(34)39-17-40-30(25)42/h3-6,13,17-18,22,26-28,32,38,45-46H,7-12,14-16H2,1-2H3,(H,35,44)(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,34,39,40)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1",ZRDQFWRSRPZOSQ-GMHMEAMDSA-N
DB02932,113299-40-4,(R)-Bicalutamide,experimental,,,,,,198,,ZINC000000538564,CHEMBL63560,18678,,39589,56069,C[C@](O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1",LKJPYSCBVHEWIU-KRWDZBQOSA-N
DB02933,,5'-Deoxy-5'-(Methylthio)-Tubercidin,experimental,,,,,,MTH,,ZINC000005141416,CHEMBL551561,,,,188350,[H][C@]1(CSC)O[C@@]([H])(N2C=CC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1",WBPLMFVTQMIPLW-MFYTUXHUSA-N
DB02934,,9-(6-deoxy-alpha-L-talofuranosyl)-6-methylpurine,experimental,,,,,,TAL,,ZINC000006521063,CHEMBL1236184,,,,447722,[H][C@@](C)(O)[C@@]1([H])O[C@@]([H])(N2C=NC3=C(C)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8-,9+,10+,12+/m0/s1",XJZDIUOABWMPLZ-DSBXBFMBSA-N
DB02935,111-96-6,Diglyme,experimental,,,,,,M2M,,ZINC000001689760,CHEMBL1234162,,,46784,8150,COCCOCCOC,"InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3",SBZXBUIDTXKZTM-UHFFFAOYSA-N
DB02936,,4-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Butyric Acid,experimental,,,,,,6IN,,ZINC000002046971,CHEMBL356752,50055291,,,3710,CC1=C(CC(N)=O)C2=C(C=CC(OCCCC(O)=O)=C2)N1CC1=CC=CC=C1,"InChI=1S/C22H24N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,25)(H,26,27)",STENXUCYNKOBHJ-UHFFFAOYSA-N
DB02937,,"Gamma-Arsono-Beta, Gamma-Methyleneadenosine-5'-Diphosphate",experimental,,,,,,ATS,,,,,,,42626649,[H][C@]1(COP(O)(=O)OP(O)(=O)C[As](O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H18AsN5O12P2/c13-9-6-10(15-3-14-9)17(4-16-6)11-8(19)7(18)5(28-11)1-27-31(25,26)29-30(23,24)2-12(20,21)22/h3-5,7-8,11,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1",KHQOAQLQNLUEQN-IOSLPCCCSA-N
DB02938,111-14-8,Heptanoic acid,"['experimental', 'investigational']",,,,991260,,SHV,,ZINC000001577199,CHEMBL320358,,,45571,8094,CCCCCCC(O)=O,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",MNWFXJYAOYHMED-UHFFFAOYSA-N
DB02940,,"(4s)-2-[(1e)-1-Aminoprop-1-Enyl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid",experimental,,,,,,TZB,,ZINC000100032679,,,,,5289509,[H][C@@]1(CSC(=N1)C(\N)=C\C)C(O)=O,"InChI=1S/C7H10N2O2S/c1-2-4(8)6-9-5(3-12-6)7(10)11/h2,5H,3,8H2,1H3,(H,10,11)/b4-2-/t5-/m1/s1",FDEYZMSECWCRCN-DWFCDSDJSA-N
DB02941,,3-(1-Aminoethyl)Nonanedioic Acid,experimental,,,,,,IKT,,ZINC000003870892,,,,,5497016,[H][C@@](C)(N)[C@@]([H])(CCCCCC(O)=O)CC(O)=O,"InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",NHQUUILSXUJSSP-IUCAKERBSA-N
DB02942,,"Inositol 1,3-Bisphosphate",experimental,,,,,,ITP,,ZINC000100016181,,,,18225,,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O,"InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6-",PUVHMWJJTITUGO-FICORBCRSA-N
DB02943,,N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine,experimental,,,,,,ABY,,ZINC000006484319,,,,,447867,[H]N([H])CCCC(=O)N([H])[C@@H](CSCC1=CC=C(OC)C=C1)C(=O)N([H])CC(O)=O,"InChI=1S/C17H25N3O5S/c1-25-13-6-4-12(5-7-13)10-26-11-14(17(24)19-9-16(22)23)20-15(21)3-2-8-18/h4-7,14H,2-3,8-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t14-/m0/s1",OMOPDEZZBQHMGS-AWEZNQCLSA-N
DB02945,71031-08-8,alpha-L-iduronic acid,experimental,,,,,,IDR,,ZINC000004097162,,,,43394,446102,[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m0/s1",AEMOLEFTQBMNLQ-VCSGLWQLSA-N
DB02946,127640-90-8,Carpropamide,experimental,,,,,,CRP,,ZINC000006424732,CHEMBL147792,50086741,,47351,449402,CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)C1=CC=C(Cl)C=C1,"InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1",RXDMAYSSBPYBFW-RULNRJAQSA-N
DB02947,,2-Fluoro-2'-Deoxyadenosine,experimental,,,,,,2FD,,ZINC000006585598,CHEMBL1229920,50370376,,39723,447864,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=NC2=C(N)N=C(F)N=C12,"InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1",ZWPYUXAXLRFWQC-KVQBGUIXSA-N
DB02948,66508-53-0,Fosmidomycin,"['experimental', 'investigational']",,,,,,FOM,,ZINC000012502867,CHEMBL203125,50153713,FOSMIDOMYCIN,443725,572,ON(CCCP(O)(O)=O)C=O,"InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)",GJXWDTUCERCKIX-UHFFFAOYSA-N
DB02949,,2-Acetyl-Protoporphyrin Ix,experimental,,,,,,HCO,,,,,,,139031111,CC1=C2C=C3[C@@H](C(O)=C)C(C)=C4C=C5N6C(=CC7=C(CCC(O)=O)C(C)=C8C=C([C@@H]1C=C)N2[Fe@@]6(N34)N78)C(CCC(O)=O)=C5C,"InChI=1S/C34H34N4O5.Fe/c1-7-21-16(2)26-14-31-34(20(6)39)19(5)27(38-31)12-24-17(3)22(8-10-32(40)41)29(36-24)15-30-23(9-11-33(42)43)18(4)25(37-30)13-28(21)35-26;/h7,12-15,21,34,39H,1,6,8-11H2,2-5H3,(H,40,41)(H,42,43);/q-4;+4/b24-12-,28-13-,29-15-,31-14-;/t21-,34-;/m1./s1",JCECKEHNPXVLGS-SJHVGCKASA-N
DB02950,,Hymenialdisine,experimental,,,,,,HMD,,ZINC000100032696,,,,,139031112,[H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O,"InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1",QPCBNXNDVYOBIP-WHFBIAKZSA-N
DB02951,1113-60-6,3-Hydroxypyruvic Acid,experimental,,,,,,3PY,,ZINC000001532558,CHEMBL1230192,,,30841,964,OCC(=O)C(O)=O,"InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)",HHDDCCUIIUWNGJ-UHFFFAOYSA-N
DB02952,62-57-7,2-aminoisobutyric acid,experimental,,,,,,AIB,,ZINC000000901801,CHEMBL1230906,36629,,193090,6119,CC(C)(N)C(O)=O,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",FUOOLUPWFVMBKG-UHFFFAOYSA-N
DB02953,,2-Thiomethyl-3-Phenylpropanoic Acid,experimental,,,,,,BTP,,,CHEMBL90403,50281176,,,5287850,[H][C@](CS)(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1",ZUEBVBPVXLQMQR-SECBINFHSA-N
DB02954,,(Carboxyhydroxyamino)Ethanoic Acid,experimental,,,,,,,,ZINC000033821350,,,,,4633094,ON(CC(O)=O)C(O)=O,"InChI=1S/C3H5NO5/c5-2(6)1-4(9)3(7)8/h9H,1H2,(H,5,6)(H,7,8)",LJSQPIOQKDFEKE-UHFFFAOYSA-N
DB02955,141-22-0,Ricinoleic acid,experimental,,,,35605,,RCL,3527,ZINC000012954494,CHEMBL3186422,,,28592,643684,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1",WBHHMMIMDMUBKC-QJWNTBNXSA-N
DB02956,,Pentasulfide-Sulfur,experimental,,,,,,PS5,,,,,,45147,5289210,[S-]SSS[S-],InChI=1S/H2S5/c1-3-5-4-2/h1-2H/p-2,FBNHIFPJXGPDIP-UHFFFAOYSA-L
DB02957,2149-82-8,Orotidylic acid,experimental,,,,,,OMP,,ZINC000004095542,CHEMBL1207358,,,15842,160617,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O,"InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1",KYOBSHFOBAOFBF-XVFCMESISA-N
DB02958,,Selenomethionine Selenoxide,experimental,,,,,,MSO,,,,,,,17754089,[H][C@](N)(CC[Se](C)=O)C(O)=O,"InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1",KGXZPWNBFWCDRF-YGVKFDHGSA-N
DB02959,4350-09-8,Oxitriptan,"['approved', 'nutraceutical', 'investigational']","['39668', '1088369', '9727088', '18445233', '6983619', '2193835', '3913752', '11869656', '15893130', '6997735', '7733839', '6175178']",N06AX01,D07339,94,,4PQ,4006,ZINC000000895330,CHEMBL350221,50403163,OXITRIPTAN,17780,439280,N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1",LDCYZAJDBXYCGN-VIFPVBQESA-N
DB02960,,1-Carboxyethylaminomethyl-4-Aminomethylbenzene,experimental,,,,,,MN2,,,,,,,5158928,[NH3+]CC1=CC=C(CNCCC(O)=O)C=C1,"InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1",IHQRRZIPLZXOKB-UHFFFAOYSA-O
DB02961,3615-41-6,Rhamnose,experimental,,,,1872246,,RNS,,ZINC000002038606,,,,16055,19233,[H][C@@](C)(O)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)C=O,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1",PNNNRSAQSRJVSB-BXKVDMCESA-N
DB02962,51-17-2,Benzimidazole,"['experimental', 'investigational']",,,,1362885,,BZI,,ZINC000000331902,CHEMBL306226,7939,BENZIMIDAZOLE,41275,5798,N1C=NC2=CC=CC=C12,"InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)",HYZJCKYKOHLVJF-UHFFFAOYSA-N
DB02963,,"(5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine",experimental,,,,,,CT7,,,,11442,,,5287989,CS(=O)(=O)C1=CC=C(NC2=CC(Cl)=NC3=CC=NN23)C=C1,"InChI=1S/C13H11ClN4O2S/c1-21(19,20)10-4-2-9(3-5-10)16-13-8-11(14)17-12-6-7-15-18(12)13/h2-8,16H,1H3",LVNXHNRYPADEAD-UHFFFAOYSA-N
DB02964,227458-60-8,"8,9,10-Trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1,3-diaza-spiro[4.5]decan-4-one",experimental,,,,,,GL4,,ZINC000003931735,CHEMBL489798,50263769,,,4369162,OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1",OEWLGQKSTDZKFN-WWHASAIZSA-N
DB02965,,Ndelta-(N'-Sulphodiaminophosphinyl)-L-Ornithine,experimental,,,,,,PSQ,,,,,,,9543429,[H][C@](N)(CCCN[P@@](N)(=O)NS(O)(=O)=O)C(O)=O,"InChI=1S/C5H15N4O6PS/c6-4(5(10)11)2-1-3-8-16(7,12)9-17(13,14)15/h4H,1-3,6H2,(H,10,11)(H,13,14,15)(H4,7,8,9,12)/t4-,16+/m0/s1",MDGVOXPIIICZEK-FOIQGAMDSA-N
DB02966,,Fluoro-Willardiine,experimental,,,,,,FWD,,ZINC000002530708,CHEMBL123132,50060635,,42549,126569,N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O,"InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1",DBWPFHJYSTVBCZ-BYPYZUCNSA-N
DB02967,128-53-0,N-Ethylmaleimide,experimental,,,,,,NEQ,,ZINC000000901367,CHEMBL8211,50220832,,44485,4362,CCN1C(=O)C=CC1=O,"InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3",HDFGOPSGAURCEO-UHFFFAOYSA-N
DB02968,,Penicillin G Acyl-Serine,experimental,,,,,,,,,,,,,49867492,[H][C@](N)(COC(=O)[C@@]([H])(N=C([O-])CC1=CC=CC=C1)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1)C([O-])=O,"InChI=1S/C19H25N3O7S/c1-19(2)14(17(26)27)22-15(30-19)13(18(28)29-9-11(20)16(24)25)21-12(23)8-10-6-4-3-5-7-10/h3-7,11,13-15,22H,8-9,20H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/p-2/t11-,13-,14-,15+/m0/s1",USNINKBPBVKHHZ-CYUUQNCZSA-L
DB02969,137-00-8,5-(2-hydroxyethyl)-4-methylthiazole,experimental,,,,,,TZE,,ZINC000000160790,CHEMBL1236482,50016817,,17957,1136,CC1=C(CCO)SC=N1,"InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3",BKAWJIRCKVUVED-UHFFFAOYSA-N
DB02970,,2-Propyl-Aniline,experimental,,,,,,PRY,,ZINC000002039219,,,,,15759,CCCC1=CC=CC=C1N,"InChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3",WKURVXXDGMYSDP-UHFFFAOYSA-N
DB02971,,2-Amino-4-(2-Amino-Ethoxy)-Butyric Acid,experimental,,,,,,AVG,,ZINC000003581194,,,,,446250,[H][C@](N)(CCOCCN)C(O)=O,"InChI=1S/C6H14N2O3/c7-2-4-11-3-1-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",FDDYPVBIHWFLOI-YFKPBYRVSA-N
DB02972,,1-Benzyl-(R)-Propylamine,experimental,,,,,,,,ZINC000004072146,CHEMBL1178595,,,,40472480,CC[C@H](N)CC1=CC=CC=C1,"InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3/t10-/m0/s1",IOLQWLOHKZENDW-JTQLQIEISA-N
DB02973,,4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide,experimental,,,,,,106,,ZINC000020149018,,,,,,NS(=O)(=O)C1=CC=C(C=C1)\N=N\C1=C2C=C(Br)C=CC2=NC1=O,"InChI=1S/C14H9BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7H,(H2,16,21,22)/b19-18+",BWTHJLODYBOEIY-VHEBQXMUSA-N
DB02974,,4-(4-Chlorophenyl)Imidazole,experimental,,,,,,CPZ,,ZINC000005974211,CHEMBL1231913,,,,448632,ClC1=CC=C(C=C1)C1=CN=CN1,"InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)",DVKIFCXVRCGAEE-UHFFFAOYSA-N
DB02975,134861-34-0,GE-2270A,experimental,,,,,,GEA,,,CHEMBL1766417,,,,16186054,[H][C@]1(NC(=O)CNC(=O)C2=C(COC)SC(=N2)[C@@H](NC(=O)C2=C(C)SC(=N2)[C@H](CC(=O)NC)NC(=O)C2=CSC(=N2)C2=CC=C(N=C2C2=CSC(=N2)C2=CSC1=N2)C1=NC(=CS1)C1=N[C@@H](CO1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](O)C1=CC=CC=C1,"InChI=1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)/t29-,30-,35-,39-,43-,44-/m0/s1",JMDULECOHIXMNX-MZHFYNGJSA-N
DB02976,,Uridine-5'-diphosphate-2-deoxy-2-fluorogalactose,experimental,,,,,,UPF,,ZINC000015553713,,,,,445795,[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@]3([H])F)[C@@H](O)[C@H]2O)C1=O,"InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1",NGTCPFGWXMBZEP-KBQKSTHMSA-N
DB02977,,PNU177836,experimental,,,,,,TBH,,ZINC000038372366,,,,,5289442,[H][C@@](O)(N[C@@]([H])(CC1=CC=CC=C1)[C@]([H])(O)N[C@@]([H])(CC1=CC(C(O)=O)=C(OCC(O)=O)C=C1)[C@@]([H])(O)NCCCCC)OC(C)(C)C,"InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1",WVFJFYADATXBBE-JIFQQKSFSA-N
DB02978,,Beta-Hydroxyleucine,experimental,,,,,,HLU,,ZINC000001715386,,,,,6994740,CC(C)[C@H](O)[C@H](N)C(O)=O,"InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1",ZAYJDMWJYCTABM-WHFBIAKZSA-N
DB02979,,"N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane",experimental,,,,,,NTU,,ZINC000012502908,,,,,11740154,CS\C(N)=N\CCCCCCCCCCCCCC\N=C(/N)SC,"InChI=1S/C18H38N4S2/c1-23-17(19)21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18(20)24-2/h3-16H2,1-2H3,(H2,19,21)(H2,20,22)",IOKDMHHZKWLWKO-UHFFFAOYSA-N
DB02980,,Thymidine-5'-(dithio)phosphate,experimental,,,,,,THS,,,,,,,6858204,[H]N1C(=O)N(C=C(C)C1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(S)=S)O1,"InChI=1S/C10H15N2O6PS2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-17-19(16,20)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,20,21)/t6-,7+,8+/m0/s1",KMPXQZWMYQHTNT-XLPZGREQSA-N
DB02981,,Vitamin B6 Complexed with 2-Amino-Hexanoic Acid,experimental,,,,,,PY6,,ZINC000002047161,,,,,444862,[H][C@@](CCCC)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,"InChI=1S/C14H23N2O7P/c1-3-4-5-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6,12,16-17H,3-5,7-8H2,1-2H3,(H,18,19)(H2,20,21,22)/t12-/m0/s1",NHVFCSUYJRWFNW-LBPRGKRZSA-N
DB02982,,Bombykol,experimental,,,,,,BOM,,,,,,41200,445128,[H]\C(CCC)=C(/[H])\C(\[H])=C(/[H])CCCCCCCCCO,"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+",CIVIWCVVOFNUST-SCFJQAPRSA-N
DB02983,,Para-Mercury-Benzenesulfonic Acid,experimental,,,,,,PMB,,,,,,49823,65258,OS(=O)(=O)C1=CC=C([Hg])C=C1,"InChI=1S/C6H5O3S.Hg/c7-10(8,9)6-4-2-1-3-5-6;/h2-5H,(H,7,8,9);",KQAOIKIZSJJTII-UHFFFAOYSA-N
DB02984,,"4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline",experimental,,,,,,MSQ,,ZINC000002046959,CHEMBL29641,50083955,,,1714,COC1=CC2=NC=NC(NC3=CC(SC)=CC=C3)=C2C=C1OC,"InChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20)",FUSDVOSGGMBSMK-UHFFFAOYSA-N
DB02985,,8-iodo-guanine,experimental,,,,,,8IG,,ZINC000004878369,,,,,135431972,NC1=NC(=O)C2=C(N1)N=C(I)N2,"InChI=1S/C5H4IN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)",SXGFECRAKVVEJT-UHFFFAOYSA-N
DB02986,,"N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide",experimental,,,,,,TPD,,ZINC000002047847,,11931,,,4293,NS(=O)(=O)C1=CC=C(S1)S(=O)(=O)NCC1=CC=CS1,"InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)",STOTVDLYLKWVJB-UHFFFAOYSA-N
DB02987,17528-66-4,Cysteine-S-acetamide,experimental,,,,,,YCM,,ZINC000001596714,,,,,36688842,N[C@@H](CSCC(N)=O)C(O)=O,"InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",VFKYKPOTSJWPIU-VKHMYHEASA-N
DB02988,,Imino-Tryptophan,experimental,,,,,,ITR,,,,,,,,[H]N=C(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)/b12-9-",LKYWXXAVLLVJAS-XFXZXTDPSA-N
DB02989,,CRA_10972,experimental,,,,,,972,,ZINC000005882031,CHEMBL62492,50115858,,,447486,CC(C)COC1=CC=CC(C2=NC3=C(N2)C=C(Cl)C(=C3)C(N)=N)=C1O,"InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)",RTSLVPMQUZXPBZ-UHFFFAOYSA-N
DB02990,,S-(2-Acetamidoethyl) hexadecanethioate,experimental,,,,,,THT,,ZINC000014880555,,,,,3378216,CCCCCCCCCCCCCCCC(=O)SCCNC(C)=O,"InChI=1S/C20H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-17-21-19(2)22/h3-18H2,1-2H3,(H,21,22)",GDVZALUOXPTSHD-UHFFFAOYSA-N
DB02991,,S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea,experimental,,,,,,TFM,,ZINC000003872533,CHEMBL323542,50058464,,,3311,CCS\C(N)=N\C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)",LCMOXIFARISMOH-UHFFFAOYSA-N
DB02992,,1-Deoxy-6-O-Phosphono-1-[(Phosphonomethyl)Amino]-L-Threo-Hexitol,experimental,,,,,,H4P,,ZINC000024775490,,,,,447811,[H][C@@](O)(CNCP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,"InChI=1S/C7H19NO11P2/c9-4(1-8-3-20(13,14)15)6(11)7(12)5(10)2-19-21(16,17)18/h4-12H,1-3H2,(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-/m1/s1",YAEYOLVKVWEHNB-DBRKOABJSA-N
DB02993,,8-Methyl-9-Oxoguanine,experimental,,,,,,MOG,,,CHEMBL175367,50108008,,,446312,CC1=NC2=C(O1)N=C(N)NC2=O,"InChI=1S/C6H6N4O2/c1-2-8-3-4(11)9-6(7)10-5(3)12-2/h1H3,(H3,7,9,10,11)",NEKSCFHMQPOHBF-UHFFFAOYSA-N
DB02994,75-60-5,Cacodylic acid,experimental,,,,,,CAD,3058,,CHEMBL1231644,,,48765,2513,C[As](C)(O)=O,"InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)",OGGXGZAMXPVRFZ-UHFFFAOYSA-N
DB02995,,Cyclohexylammonium Ion,experimental,,,,,,HAI,,,,,,42939,1549093,[NH3+]C1CCCCC1,"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1",PAFZNILMFXTMIY-UHFFFAOYSA-O
DB02996,,2-(Thiomethylene)-4-Methylpentanoic Acid,experimental,,,,,,SLE,,,,,,,17754166,[H][C@](CS)(CC(C)C)C(O)=O,"InChI=1S/C7H14O2S/c1-5(2)3-6(4-10)7(8)9/h5-6,10H,3-4H2,1-2H3,(H,8,9)/t6-/m1/s1",GCTDRFXPPSVRRP-ZCFIWIBFSA-N
DB02998,965-93-5,Metribolone,experimental,,,,,,R18,,ZINC000003814420,CHEMBL166444,50367916,,379896,261000,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1",CCCIJQPRIXGQOE-XWSJACJDSA-N
DB02999,52809-07-1,Quisqualic acid,experimental,,,,,,QUS,,ZINC000000897456,CHEMBL279956,17660,,8734,6971145,N[C@@H](CN1OC(=O)NC1=O)C(O)=O,"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1",ASNFTDCKZKHJSW-REOHCLBHSA-N
DB03000,14047-27-9,S-9-(2-hydroxypropyl)adenine,experimental,,,,,,APS,,ZINC000002046907,,,,,445210,[H][C@@](C)(O)CN1C=NC2=C(N)N=CN=C12,"InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m0/s1",MJZYTEBKXLVLMY-YFKPBYRVSA-N
DB03001,33281-81-1,Peridinin,experimental,,,,,,PID,,ZINC000073240896,CHEMBL1980535,50525245,,,5289155,CC(=O)O[C@H]1CC(C)(C)C(=C=C\C(C)=C\C=C\C=C\C=C(/C)\C=C2/OC(=O)C(\C=C\[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)=C2)[C@](C)(O)C1,"InChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17?,30-,32-,37+,38+,39-/m0/s1",UYRDHEJRPVSJFM-VSWVFQEASA-N
DB03002,540-38-5,p-Iodophenol,experimental,,,,,,IOL,,ZINC000000391103,CHEMBL56475,,,43521,10894,OC1=CC=C(I)C=C1,"InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H",VSMDINRNYYEDRN-UHFFFAOYSA-N
DB03003,3773-07-7,Glutathione sulfonic acid,experimental,,,,,,GTS,,ZINC000001616624,,,,,444104,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS(O)(=O)=O)C(=O)N([H])CC(O)=O)C(O)=O,"InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1",QGWRMTHFAZVWAM-WDSKDSINSA-N
DB03004,,"(2S)-2-amino-6-[[(3R,4R)-1-[(1S)-1-carboxy-2-[(S)-methylsulfinyl]ethyl]-2-oxo-4-sulfanylazetidin-3-yl]amino]-6-oxohexanoic acid",experimental,,,,,,ACS,,ZINC000033774367,,,,,9600398,[H]N([H])[C@@H](CCCC(=O)N([H])[C@@H]1C(=O)N([C@H](C[S@](C)=O)C(O)=O)[C@]1([H])S)C(O)=O,"InChI=1S/C13H21N3O7S2/c1-25(23)5-7(13(21)22)16-10(18)9(11(16)24)15-8(17)4-2-3-6(14)12(19)20/h6-7,9,11,24H,2-5,14H2,1H3,(H,15,17)(H,19,20)(H,21,22)/t6-,7+,9+,11+,25-/m0/s1",UFLVUEXXBDLOEJ-QUNHDKFLSA-N
DB03005,,"3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium",experimental,,,,,,TZ5,,ZINC000027091884,CHEMBL117651,50149201,,,5289508,NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN=NN1CCNC1=C2CCCCC2=NC2=C1C=CC=C2,"InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-46-48-50(32)25-23-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,47)/p+1",ISUOMOOYAOQQPZ-UHFFFAOYSA-O
DB03006,98-50-0,Arsanilic acid,"['experimental', 'vet_approved']",,,,,,ASR,3549,,CHEMBL351769,,,49477,6432805,NC1=CC=C(C=C1)[As](O)(O)=O,"InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)",XKNKHVGWJDPIRJ-UHFFFAOYSA-N
DB03007,,"9r,13r-Opda",experimental,,,,,,OPD,,,,,,,656750,[H][C@@]1(CCCCCCCC(O)=O)C=CC(=O)[C@]1([H])CC=CCC,"InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1",PMTMAFAPLCGXGK-HZPDHXFCSA-N
DB03008,,5-fluoro-beta-L-gulosyl fluoride,experimental,,,,,,GUL,,,,,,,131704225,[H][C@]1(O)[C@@]([H])(O)[C@]([H])(O)[C@](F)(CO)OC1([H])F,"InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3+,4+,5?,6+/m1/s1",MGHYRMVVRYCAON-NURPGYHYSA-N
DB03009,,2-{[2-Oxo-2-(1-piperidinyl)ethyl]sulfanyl}-6-(trifluoromethyl)-4(1H)-pyrimidinone,experimental,,,,,,B1V,,,CHEMBL360376,50152883,,,135440059,[H]N1C(SCC(=O)N2CCCCC2)=NC(=O)C=C1C(F)(F)F,"InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19)",UDBHGUOSOKOIAX-UHFFFAOYSA-N
DB03010,152044-54-7,Patupilone,"['experimental', 'investigational']",,,,,,EPB,,ZINC000003951737,CHEMBL94657,50103627,EPOTHILONE B,31550,448013,[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1,"InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1",QXRSDHAAWVKZLJ-PVYNADRNSA-N
DB03011,,Adenosine-5'-(Dithio)Phosphate,experimental,,,,,,ADS,,,,,,,131704226,[H][C@]1(COP(O)(S)=S)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@]1([H])O,"InChI=1S/C10H14N5O5PS2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(20-10)1-19-21(18,22)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,22,23)/t4-,6-,7?,10-/m1/s1",RPDDEEQJNPPYRG-CPTYKQRNSA-N
DB03012,,Phenylalanine-N-Sulfonamide,experimental,,,,,,CXA,,,CHEMBL422668,50121272,,,446382,[H][C@@](CC1=CC=CC=C1)(NS(N)(=O)=O)C(O)=O,"InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1",PHGMHLLGXKQIDY-QMMMGPOBSA-N
DB03013,35061-50-8,N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine,experimental,,,,,,CBS,,ZINC000004095478,CHEMBL467754,,,50670,439326,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,"InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1",CDOJPCSDOXYJJF-KSKNGZLJSA-N
DB03015,,"6-hydroxy-1,6-dihydro purine nucleoside",experimental,,,,,,PRH,,,,,,,5289205,[H]N1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1[C@H](O)N=CN2[H],"InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1",WGRXVKRHIMUTPD-YOHZANMFSA-O
DB03016,,CRA_1801,experimental,,,,,,801,,ZINC000018163907,,,,,1513,NC(=N)C1=CC2=C(C=C1)N=C(N2)C1=C(O)C=CC=N1,"InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)",FQCDQFDJHSXQKY-UHFFFAOYSA-N
DB03017,143-07-7,Lauric acid,"['experimental', 'approved']",,,,1363435,,DAO,4642,ZINC000001529498,CHEMBL108766,50180948,,30805,3893,CCCCCCCCCCCC(O)=O,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",POULHZVOKOAJMA-UHFFFAOYSA-N
DB03018,95-64-7,"3,4-dimethylaniline",experimental,,,,,,34A,,ZINC000003860992,CHEMBL1230039,,,39901,7248,CC1=CC=C(N)C=C1C,"InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3",DOLQYFPDPKPQSS-UHFFFAOYSA-N
DB03019,,"4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine",experimental,,,,,,CK1,,,,,,,447955,NC1=NC=CC(=N1)C1=C(Cl)SC(Cl)=C1,"InChI=1S/C8H5Cl2N3S/c9-6-3-4(7(10)14-6)5-1-2-12-8(11)13-5/h1-3H,(H2,11,12,13)",PAPYICJQRHSQGK-UHFFFAOYSA-N
DB03020,,5-beta-D-ribofuranosylnicotinamide adenine dinucleotide,experimental,,,,,,CND,,ZINC000049771855,CHEMBL1231859,,,,444215,NC(=O)C1=C[NH+]=CC(=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C21H27N7O14P2/c22-18-12-20(26-6-25-18)28(7-27-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-1-9(19(23)33)3-24-2-8/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,25,26)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1",UINNILASBHZOTM-KMXXXSRASA-N
DB03021,,Ulapualide A,experimental,,,,,,ULA,,,,,,,,[H]C(=C([H])C([H])(C)C([H])(OC(C)=O)[C@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@@]([H])(O)CCCC(=O)C[C@]([H])(C)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)OC)N(C)CO,"InChI=1S/C46H66N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-25,27-31,34,39-41,44,51,54H,10,12-14,16-17,20-22,26H2,1-9H3/b15-11+,19-18?/t27-,28?,29-,30+,31+,34-,39-,40-,41-,44?/m0/s1",DIOFXPZEAVIPDB-GSMFZUCRSA-N
DB03022,,"3-[2,6,8-Trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]propyl dihydrogen phosphate",experimental,,,,,,T1P,,ZINC000032304137,,,,,657023,[H]N1C2=C(N(CCCOP(O)(O)=O)C(=O)N2C[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N([H])C1=O,"InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7-,9+/m1/s1",KPHFGOGGKPGLTM-BHNWBGBOSA-N
DB03023,,"1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine",experimental,,,,,,PP2,,,,,,,,CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1,"InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)/p+1",PBBRWFOVCUAONR-UHFFFAOYSA-O
DB03024,,2-Methyl-3-(2-Aminothiazolo)Propanal,experimental,,,,,,,,ZINC000006792091,,,,,5288557,[H][C@](C)(CC1=CSC(N)=N1)C=O,"InChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1",KFMAJVLZSDMFBV-YFKPBYRVSA-N
DB03025,24587-53-9,(S)-oct-1-en-3-ol,experimental,,,,,,3OM,,ZINC000002026960,,,,46735,2724898,CCCCC[C@H](O)C=C,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1",VSMOENVRRABVKN-MRVPVSSYSA-N
DB03026,51528-59-7,Phosphoglycolohydroxamic Acid,experimental,,,,,,PGH,,,CHEMBL371668,50167777,,28475,4797,ONC(=O)COP(O)(O)=O,"InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)",BAXHHWZKQZIJID-UHFFFAOYSA-N
DB03028,,1h-Benoximidazole-2-Carboxylic Acid,experimental,,,,,,TRM,,ZINC000000158649,,,,46117,233240,OC(=O)C1=NC2=CC=CC=C2N1,"InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)",RHXSYTACTOMVLJ-UHFFFAOYSA-N
DB03030,,4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole,experimental,,,,,,654,,ZINC000012502986,CHEMBL66526,8738,,,446185,CC1=CC=C(CN2C=NC(=C2)C2=CC=CS2)C=C1,"InChI=1S/C15H14N2S/c1-12-4-6-13(7-5-12)9-17-10-14(16-11-17)15-3-2-8-18-15/h2-8,10-11H,9H2,1H3",UMOFOLLUKPBVQG-UHFFFAOYSA-N
DB03031,,Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Octyl-Amide,experimental,,,,,,DSO,,,,,,,,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2,"InChI=1S/C31H45N3O3S/c1-34(2)28-13-9-12-27-26(28)11-10-14-29(27)38(36,37)33-16-8-6-4-3-5-7-15-32-30(35)31-20-23-17-24(21-31)19-25(18-23)22-31/h9-14,23-25,33H,3-8,15-22H2,1-2H3,(H,32,35)/t23-,24+,25-,31-",FZFMMSSQQXCBGM-HTNXFJBJSA-N
DB03032,,S-octylglutathione,experimental,,,,,,GTY,,ZINC000008234408,,,,,443115,CCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1",MJWCZWAVSJZQNL-KBPBESRZSA-N
DB03033,,4-methoxybenzenesulfinate,experimental,,,,,PA451991,MSB,,,,,,,3952261,COC1=CC=C(C=C1)S([O-])=O,"InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5H,1H3,(H,8,9)/p-1",YVZWQPOTHRMEQW-UHFFFAOYSA-M
DB03034,100986-86-5,D-Levofloxacin,experimental,,,,,,XED,,ZINC000000537891,CHEMBL420937,50226409,,46577,6956329,C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1",GSDSWSVVBLHKDQ-SNVBAGLBSA-N
DB03035,,"1,8-Di-Hydroxy-4-Nitro-Anthraquinone",experimental,,,,,,HNA,,ZINC000035283738,CHEMBL574060,11313,,,4634231,OC1=CC=CC2=C1C(=O)C1=C(O)C=CC(=C1C2=O)[N+]([O-])=O,"InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H",RIYCICFDXLNQPV-UHFFFAOYSA-N
DB03037,,Oxidized Acetyl Dithranol,experimental,,,,,,OAL,,ZINC000006251605,,,,44492,3266379,OC(=O)CC1=C(O)C2=C(C=C1)C(=O)C1=C(C(O)=CC=C1)C2=O,"InChI=1S/C16H10O6/c17-10-3-1-2-8-12(10)16(22)13-9(15(8)21)5-4-7(14(13)20)6-11(18)19/h1-5,17,20H,6H2,(H,18,19)",IKFRFGXQHSBCQM-UHFFFAOYSA-N
DB03038,,LY341770,experimental,,,,,,LY3,,ZINC000009682931,,,,,135488887,[H]N([H])C1=NC(=O)C2=C(N([H])C=C2CCC2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC2=NN([H])N=N2)C(O)=O)N1[H],"InChI=1S/C20H21N9O4/c21-20-24-16-15(18(31)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(30)23-13(19(32)33)7-8-14-26-28-29-27-14/h1-2,4-5,9,13H,3,6-8H2,(H,23,30)(H,32,33)(H,26,27,28,29)(H4,21,22,24,25,31)/t13-/m0/s1",MXAFDBCLWLMXSI-ZDUSSCGKSA-N
DB03039,,"4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide",experimental,,,,,,IOA,,,,12018,,,446239,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=CC=C1F,"InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)",KEGUALXMKQVDIO-UHFFFAOYSA-N
DB03040,139-13-9,Nitrilotriacetic acid,experimental,,,,,,NTA,,ZINC000001849692,CHEMBL1234848,,,44557,139057210,OC(=O)CN(CC(O)=O)CC(O)=O,"InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)",MGFYIUFZLHCRTH-UHFFFAOYSA-N
DB03041,2616-64-0,UDP-alpha-D-glucuronic acid,experimental,,,,,,UGA,,ZINC000008215691,CHEMBL228057,50209665,,17200,17473,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1",HDYANYHVCAPMJV-LXQIFKJMSA-N
DB03042,,5-Phosphoarabinonic Acid,experimental,,,,,,PA5,,,,,,,191445,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(O)=O,"InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1",HNECGPFIYSOYHF-JJYYJPOSSA-N
DB03043,,"(S)-2-Amino-3-(6h-Selenolo[2,3-B]-Pyrrol-4-Yl)-Propionic Acid",experimental,,,,,,23S,,,,,,,15480321,[H][C@](N)(CC1=CNC2=C1C=C[Se]2)C(O)=O,"InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1",MXAFHQSEFHIRDF-ZETCQYMHSA-N
DB03044,285983-48-4,Doramapimod,investigational,,,D03736,,,B96,,ZINC000024044436,CHEMBL103667,13533,BIRB-796 BS,40953,156422,CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=C(OCCN2CCOCC2)C2=C1C=CC=C2)C(C)(C)C,"InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)",MVCOAUNKQVWQHZ-UHFFFAOYSA-N
DB03045,,Pantothenyl-Aminoethanol-Acetate Pivalic Acid,experimental,,,,,,168,,ZINC000005857066,,,,,447720,CC(=O)OCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)C(C)(C)C,"InChI=1S/C18H32N2O7/c1-12(21)26-10-9-19-13(22)7-8-20-15(24)14(23)18(5,6)11-27-16(25)17(2,3)4/h14,23H,7-11H2,1-6H3,(H,19,22)(H,20,24)/t14-/m0/s1",MILJVOHYMMUVQM-AWEZNQCLSA-N
DB03046,,7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide,experimental,,,,,,UI3,,ZINC000012503001,CHEMBL321944,50147085,,,5289529,COC1=CC=C2C=CC(=CC2=C1C1=CN(N=C1)S(C)(=O)=O)C(N)=N,"InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)",KQUXAFOLFXHVQN-UHFFFAOYSA-N
DB03047,,L-Alpha-Phosphatidyl-Beta-Oleoyl-Gamma-Palmitoyl-Phosphatidylethanolamine,experimental,,,,,,EPH,,,,,,,,[H]\C(C)=C(\[H])CCC([H])=C([H])CC\C([H])=C(/[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCC,"InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h3,5,8,10-11,13-14,16,18,20,37H,4,6-7,9,12,15,17,19,21-36,40H2,1-2H3,(H,43,44)/b5-3+,10-8+,13-11?,16-14+,20-18+/t37-/m1/s1",MABRTXOVHMDVAT-AAEGOEIASA-N
DB03048,,6-Carboxymethyluracil,experimental,,,,,,UAA,,ZINC000000403617,CHEMBL593503,,,46371,73271,OC(=O)CC1=CC(=O)NC(=O)N1,"InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)",NQAUNZZEYKWTHM-UHFFFAOYSA-N
DB03049,,S-Selanyl Cysteine,experimental,,,,,,CSZ,,,,,,,46936565,N[C@@H](CS[SeH])C(O)=O,"InChI=1S/C3H7NO2SSe/c4-2(1-7-8)3(5)6/h2,8H,1,4H2,(H,5,6)/t2-/m0/s1",KRUPEGHZMWTFPP-REOHCLBHSA-N
DB03051,87392-05-0,(S)-2-Tetrahydrofuroic acid,experimental,,,,,,TFB,,ZINC000004262032,,,,,2734707,OC(=O)[C@H]1CCCO1,"InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1",UJJLJRQIPMGXEZ-SCSAIBSYSA-N
DB03052,78218-09-4,Dazoxiben,experimental,,,,,,,,ZINC000169365016,CHEMBL267473,7962,,,53001,OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1,"InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)",XQGZSYKGWHUSDH-UHFFFAOYSA-N
DB03053,,1-Aminocyclopropylphosphonate,experimental,,,,,,MLP,,,,,,44158,194762,NC1(CC1)[P@](O)([O-])=O,"InChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/p-1",WKCJTSHOKDLADL-UHFFFAOYSA-M
DB03054,75-25-2,Bromoform,experimental,,,,,,MBR,405,ZINC000008101061,CHEMBL345248,,,38682,5558,BrC(Br)Br,InChI=1S/CHBr3/c2-1(3)4/h1H,DIKBFYAXUHHXCS-UHFFFAOYSA-N
DB03056,,4-Piperidino-Piperidine,experimental,,,,,,4PN,,ZINC000000388302,CHEMBL174391,50218206,,40117,78607,C1CCN(CC1)C1CCNCC1,"InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2",QDVBKXJMLILLLB-UHFFFAOYSA-N
DB03057,542-78-9,Malonaldehyde,experimental,,,,1657018,,MDD,,ZINC000005178380,CHEMBL446036,,,566274,10964,[H]C(=O)CC([H])=O,"InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2",WSMYVTOQOOLQHP-UHFFFAOYSA-N
DB03058,5344-90-1,2-Aminobenzyl alcohol,experimental,,,,,,SOA,,ZINC000000331680,CHEMBL1235999,,,,21439,NC1=CC=CC=C1CO,"InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2",VYFOAVADNIHPTR-UHFFFAOYSA-N
DB03059,1420-36-6,Acetoacetyl-CoA,experimental,,,,,,CAA,,ZINC000096014521,,,,15345,92153,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1",OJFDKHTZOUZBOS-CITAKDKDSA-N
DB03060,,Sri-9662,experimental,,,,,,LII,,ZINC000005891398,,,,,446753,COC1=CC(\C=C/C2=C(C)C3=C(N)N=C(N)N=C3N=C2)=C(OC)C=C1,"InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4-",WNDJHUNKXPAREB-PLNGDYQASA-N
DB03061,,(R)-N-(1-Methyl-Hexyl)-Formamide,experimental,,,,,,NWH,,,,,,,5289037,CCCCC[C@H](C)NC=O,"InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1",GFVRKPKAQHTAQK-QMMMGPOBSA-N
DB03062,,(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone,experimental,,,,,,R64,,ZINC000003581083,CHEMBL355497,50121720,,,446386,CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1,"InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3",VZBQJKIOAOUYJL-UHFFFAOYSA-N
DB03063,,"N-[(2S,3S)-4-[2-[(5S)-3a,4,5,6,7,7a-Hexahydro-1,3-benzodioxol-5-yl]ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3,5-dimethoxy-4-phenylmethoxybenzamide",experimental,,,,,,EH5,,,,,,,131704228,COC1=CC(=CC(OC)=C1OCC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC[C@@H]1CCC2OCOC2C1)C(=O)CCN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C46H51N3O10/c1-55-40-25-33(26-41(56-2)43(40)57-28-32-13-7-4-8-14-32)44(52)47-36(23-30-11-5-3-6-12-30)37(50)27-48(21-19-31-17-18-38-39(24-31)59-29-58-38)42(51)20-22-49-45(53)34-15-9-10-16-35(34)46(49)54/h3-16,25-26,31,36-39,50H,17-24,27-29H2,1-2H3,(H,47,52)/t31-,36-,37-,38?,39?/m0/s1",PJQGNNQTZMYXOB-HAMMGQCISA-N
DB03064,,"3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline",experimental,,,,,,DHP,,ZINC000053684140,,,,,54676715,CCCCCCCCCCC1=C(O)C(=O)NC1=O,"InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h2-10H2,1H3,(H2,15,16,17,18)",LXIDJQZEXUQBGG-UHFFFAOYSA-N
DB03065,,7-Nitroindazole-2-Carboxamidine,experimental,,,,,,7I2,,ZINC000003871238,,,,,1894,NC(=N)N1C=C2C=CC=C(C2=N1)[N+]([O-])=O,"InChI=1S/C8H7N5O2/c9-8(10)12-4-5-2-1-3-6(13(14)15)7(5)11-12/h1-4H,(H3,9,10)",GFYAZUABYOOPCN-UHFFFAOYSA-N
DB03066,10326-41-7,D-Lactic acid,experimental,,,,1742994,,LAC,,ZINC000004658562,CHEMBL358850,50420196,D-LACTIC ACID,42111,61503,C[C@@H](O)C(O)=O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1",JVTAAEKCZFNVCJ-UWTATZPHSA-N
DB03067,,"4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid",experimental,,,,,,195,,ZINC000003935929,CHEMBL331057,50149311,,,657141,OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C2)C=C1)C(O)=O,"InChI=1S/C28H18N4O11/c33-25(15-3-1-5-18(11-15)31(39)40)29-17-7-10-24(43-20-8-9-21(27(35)36)22(14-20)28(37)38)23(13-17)30-26(34)16-4-2-6-19(12-16)32(41)42/h1-14H,(H,29,33)(H,30,34)(H,35,36)(H,37,38)",VFYAZSTYKPFSFL-UHFFFAOYSA-N
DB03068,3690-10-6,Zebularine,experimental,,,,,,ZE8,,ZINC000006119090,CHEMBL504567,50226311,,46938,100016,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC=NC1=O,"InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1",RPQZTTQVRYEKCR-WCTZXXKLSA-N
DB03069,,Cytidine-5'-diphospho-beta-D-xylose,experimental,,,,,,CXY,,ZINC000016051634,,,,,449144,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,"InChI=1S/C14H23N3O15P2/c15-7-1-2-17(14(23)16-7)12-10(21)9(20)6(30-12)4-29-33(24,25)32-34(26,27)31-13-11(22)8(19)5(18)3-28-13/h1-2,5-6,8-13,18-22H,3-4H2,(H,24,25)(H,26,27)(H2,15,16,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1",NWSKPSPTJOAICE-OCIMBMBZSA-N
DB03070,,Selenazole-4-carboxyamide-adenine dinucleotide,experimental,,,,,,SAE,,,CHEMBL451855,,,,444451,[H]N([H])C(=O)C1=C[Se]C(=N1)[C@]1([H])O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,"InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1",SKNBJMQZTZPCPF-QZTLEVGFSA-N
DB03071,,4-Methylidene-5-One,experimental,,,,,,MDO,,ZINC000012503007,,,,44061,17754076,C[C@H](N)C1=NC(C)=C(O)N1CC(O)=O,"InChI=1S/C8H13N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4,14H,3,9H2,1-2H3,(H,12,13)/t4-/m0/s1",GYCBVEGTLQBIBF-BYPYZUCNSA-N
DB03072,,"2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone",experimental,,,,,,FRM,,ZINC000005892749,CHEMBL401843,27709,,,135460986,CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O,"InChI=1S/C23H24FN3O/c1-16-4-2-5-20-22(16)25-21(26-23(20)28)6-3-13-27-14-11-18(12-15-27)17-7-9-19(24)10-8-17/h2,4-5,7-11H,3,6,12-15H2,1H3,(H,25,26,28)",LOFDUAJQRUYHBR-UHFFFAOYSA-N
DB03073,5813-86-5,3-Methoxybenzamide,experimental,,,,,,3MB,,ZINC000004521662,CHEMBL123978,50106188,,,98487,COC1=CC(=CC=C1)C(N)=O,"InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)",VKPLPDIMEREJJF-UHFFFAOYSA-N
DB03074,,7-cyano-7-deazaguanine,experimental,,,,,,PQ0,,ZINC000005973818,CHEMBL577120,50303507,,45075,135446206,NC1=NC2=C(C(=CN2)C#N)C(=O)N1,"InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)",FMKSMYDYKXQYRV-UHFFFAOYSA-N
DB03075,,(Diphosphono)Aminophosphonic Acid,experimental,,,,,,PPK,,,,,,,447781,OP(O)(=O)N[P@](O)(=O)OP(O)(O)=O,"InChI=1S/H6NO9P3/c2-11(3,4)1-12(5,6)10-13(7,8)9/h(H2,7,8,9)(H4,1,2,3,4,5,6)",PELPUMGXMYVGSQ-UHFFFAOYSA-N
DB03076,,"3-[[(3R,4S,5S,6R)-7-Benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl]-N-methylbenzamide",experimental,,,,,,NM1,,ZINC000003833854,CHEMBL357057,335,,,445754,CNC(=O)C1=CC=CC(CN2[C@H](COC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H](COC3=CC=CC=C3)N(CC3=CC=CC=C3)S2(=O)=O)=C1,"InChI=1S/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1",CGBDAHCDSVOMCF-FYZVQMPESA-N
DB03077,,"3-Amino-4-{3-[2-(2-Propoxy-Ethoxy)-Ethoxy]-Propylamino}-Cyclobut-3-Ene-1,2-Dione",experimental,,,,,,LNQ,,ZINC000100032834,,,,,4476954,CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O,"InChI=1S/C14H24N2O5/c1-2-5-19-7-9-21-10-8-20-6-3-4-16-12-11(15)13(17)14(12)18/h16H,2-10,15H2,1H3",ZUVPNXOKAPTNLU-UHFFFAOYSA-N
DB03078,,PASBN,experimental,,,,,,PSN,,ZINC000012503012,CHEMBL148630,14688,,,5289215,O[P@@](=O)(OCC1=CC=CC=C1)OC1=C(C=O)C=CC=C1,"InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17)",PWDTUFYQEUEVQD-UHFFFAOYSA-N
DB03079,,Alpha-Ribazole-5'-Phosphate Derivative,experimental,,,,,,1RB,,ZINC000005940363,,,,,446856,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=CC=CC=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1",YPYFPLLZCVEYCS-KKOKHZNYSA-N
DB03081,146663-95-8,"[N-[N-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-aspartyl]-D-(4-amidino-phenylalanyl)]-piperidine",experimental,,,,,,CCR,,ZINC000003807259,CHEMBL1231689,,,,177837,COC1=C(C)C(C)=C(C(C)=C1)S(=O)(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1=CC=C(C=C1)C(N)=N)C(=O)N1CCCCC1,"InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1",ZOXOKTJHZSUHRJ-XZOQPEGZSA-N
DB03082,,6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide,experimental,,,,,,UI1,,ZINC000005940890,CHEMBL104166,50147093,,,448605,NCC1=CC=C(NC(=O)C2=CC(NC3=NC=CC=N3)=C3C=C(C=CC3=C2)C(N)=N)C=C1,"InChI=1S/C23H21N7O/c24-13-14-2-6-18(7-3-14)29-22(31)17-10-15-4-5-16(21(25)26)11-19(15)20(12-17)30-23-27-8-1-9-28-23/h1-12H,13,24H2,(H3,25,26)(H,29,31)(H,27,28,30)",CSWQJKHBMACTGB-UHFFFAOYSA-N
DB03083,,IC261,experimental,,,,,,IC1,,ZINC000000136945,CHEMBL489156,50263829,,,5288600,COC1=CC(OC)=C(\C=C2\C(=O)NC3=CC=CC=C23)C(OC)=C1,"InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+",JBJYTZXCZDNOJW-JLHYYAGUSA-N
DB03084,,"Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine",experimental,,,,,,984,,ZINC000012153007,CHEMBL252967,16015,,47188,447872,CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1,"InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30)",XCTKFTOEAKJMII-UHFFFAOYSA-N
DB03085,79-14-1,Glycolic acid,"['approved', 'investigational']",,,,70603,,GOA,4645,ZINC000004658557,CHEMBL252557,,GLYCOLIC ACID,17497,757,OCC(O)=O,"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)",AEMRFAOFKBGASW-UHFFFAOYSA-N
DB03086,,"N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide",experimental,,,,,,AO2,,ZINC000006522559,CHEMBL354739,50141701,,,448288,[H][C@@](N)(CC1CCCCC1)[C@]([H])(O)C(=O)NNC1=CC=C(C)C=C1,"InChI=1S/C17H27N3O2/c1-12-7-9-14(10-8-12)19-20-17(22)16(21)15(18)11-13-5-3-2-4-6-13/h7-10,13,15-16,19,21H,2-6,11,18H2,1H3,(H,20,22)/t15-,16+/m1/s1",IQMLIGOOOFEBAH-CVEARBPZSA-N
DB03087,,2-(Sec-Butyl)Thiazole,experimental,,,,,,TZL,,ZINC000002510149,,,,,5289510,CC[C@@H](C)C1=NC=CS1,"InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m1/s1",MHJSWOZJMPIGJQ-ZCFIWIBFSA-N
DB03088,98-79-3,Pidolic acid,"['approved', 'investigational']","['24391398', '16251490', '18979624', '24111553', '16579622', '26343']",A12CC08,,9036,,PCA,,ZINC000003598263,CHEMBL397976,,PYROGLUTAMIC ACID,18183,7405,OC(=O)[C@@H]1CCC(=O)N1,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",ODHCTXKNWHHXJC-VKHMYHEASA-N
DB03090,,Ethylaminobenzylmethylcarbonyl Group,experimental,,,,,,,,ZINC000098209320,,,,,131704229,[H][C@@](CCCC)(N1CCN[C@]([H])(CC2=CC=CC=C2)C1=O)C(O)=O,"InChI=1S/C17H24N2O3/c1-2-3-9-15(17(21)22)19-11-10-18-14(16(19)20)12-13-7-5-4-6-8-13/h4-8,14-15,18H,2-3,9-12H2,1H3,(H,21,22)/t14-,15+/m1/s1",XGTNRXVUBSVMCM-CABCVRRESA-N
DB03091,636-65-7,Isoglutamine,experimental,,,,,,GMA,,ZINC000002508203,,,,192480,7015181,N[C@@H](CCC(O)=O)C(N)=O,"InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1",AEFLONBTGZFSGQ-VKHMYHEASA-N
DB03092,,5-Hydroxymethyl-Chonduritol,experimental,,,,,,HMC,,,CHEMBL1233349,,,,5288564,[H][C@]1(O)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1",PJPGMULJEYSZBS-VZFHVOOUSA-N
DB03093,,"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine",experimental,,,,,,PU2,,ZINC000003833893,CHEMBL324951,15382,,,448973,COC1=CC(CC2=NC3=NC(F)=NC(N)=C3N2)=C(OC)C=C1,"InChI=1S/C14H14FN5O2/c1-21-8-3-4-9(22-2)7(5-8)6-10-17-11-12(16)19-14(15)20-13(11)18-10/h3-5H,6H2,1-2H3,(H3,16,17,18,19,20)",MWHAHELTVGJGFJ-UHFFFAOYSA-N
DB03094,,"3,5-Dihydro-5-Methylidene-4h-Imidazol-4-On",experimental,,,,,,175,,ZINC000022921366,,,,,49866408,[H][C@@](C)(N)[C@@]1([H])N[C@@]([H])(CN)C(=O)N1CC(O)=O,"InChI=1S/C8H16N4O3/c1-4(10)7-11-5(2-9)8(15)12(7)3-6(13)14/h4-5,7,11H,2-3,9-10H2,1H3,(H,13,14)/t4-,5-,7-/m0/s1",MOTCYKZNVUEYFO-VPLCAKHXSA-N
DB03095,51-92-3,Tetramethylammonium,experimental,,,,,,TMA,,ZINC000000967771,CHEMBL46486,50079455,,46020,6380,C[N+](C)(C)C,"InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1",QEMXHQIAXOOASZ-UHFFFAOYSA-N
DB03096,2038-03-1,2-Morpholinoethylamine,experimental,,,,,,EMR,,ZINC000019230134,CHEMBL214205,,,194580,408285,NCCN1CCOCC1,InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2,RWIVICVCHVMHMU-UHFFFAOYSA-N
DB03097,,"PMP-hydroxyisoxazole, pyridoxamine-5-phosphate-hydroxyisoxazole",experimental,,,,,,7TS,,ZINC000002046808,,,,,445008,[H]N(CC1=C(O)C(C)=NC=C1COP(O)(O)=O)C1=CON([H])C1=O,"InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)",PXWFNGNWQUPGPJ-UHFFFAOYSA-N
DB03098,,[Methylseleno]Acetate,experimental,,,,,,MSF,,,,,,,1952,C[Se]CC([O-])=O,"InChI=1S/C3H6O2Se/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1",UOULLTHLSZQUIN-UHFFFAOYSA-M
DB03099,,5-Amino 6-Nitro Uracil,experimental,,,,,,UNC,,ZINC000006452765,,,,,4369374,NC1=C(NC(=O)NC1=O)[N+]([O-])=O,"InChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10)",CLOSWQFGCBFNCK-UHFFFAOYSA-N
DB03100,,6-Nitroindazole,experimental,,,,,,6NI,,ZINC000004127238,CHEMBL54277,50284964,,,24239,O=N(=O)C1=CC2=NNC=C2C=C1,"InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)",ORZRMRUXSPNQQL-UHFFFAOYSA-N
DB03101,,Ribose-1-Phosphate,experimental,,,,,,R1P,,ZINC000004228268,CHEMBL603367,,,16300,439236,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,"InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1",YXJDFQJKERBOBM-TXICZTDVSA-N
DB03102,,"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid",experimental,,,,,,OPA,,ZINC000002047294,CHEMBL138806,50118744,,,444765,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(COCC2)S1,"InChI=1S/C10H9NO6S/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)",SNNOZMNTPOIDSI-UHFFFAOYSA-N
DB03103,,Thymidine-5'- Diphosphate,experimental,,,,,,TYD,,ZINC000008215882,CHEMBL259724,,,18075,164628,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",UJLXYODCHAELLY-XLPZGREQSA-N
DB03104,,2-[4-[(Z)-2-Acetamido-3-oxo-3-[[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid,experimental,,,,,,821,,ZINC000014880609,CHEMBL356002,14698,,,5287555,CC(=O)N\C(=C/C1=CC=C(CC(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,"InChI=1S/C33H33N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,21,29H,5-6,9,16,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/m0/s1",NKMPOVPTYDXGEC-MNRBYUMSSA-N
DB03105,6152-89-2,L-Pentahomoserine,experimental,,,,,,AA4,,ZINC000001571334,CHEMBL495224,,,,5287587,N[C@@H](CCCO)C(O)=O,"InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1",CZWARROQQFCFJB-BYPYZUCNSA-N
DB03106,488-59-5,scyllo-inositol,investigational,,,,,,2H3,,ZINC000100055570,CHEMBL468154,,ELND-005,10642,,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-",CDAISMWEOUEBRE-CDRYSYESSA-N
DB03107,107-95-9,beta-Alanine,experimental,,,,61,,BAL,,ZINC000004658555,CHEMBL297569,50000102,,57966,239,NCCC(O)=O,"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)",UCMIRNVEIXFBKS-UHFFFAOYSA-N
DB03108,,4-phospho-D-erythronic acid,experimental,,,,,,DEZ,,ZINC000003869897,CHEMBL1160945,,,49003,449304,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)C(O)=O,"InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1",ZCZXOHUILRHRQJ-PWNYCUMCSA-N
DB03109,,2-acetylamino-2-deoxy-b-D-allopyranose,experimental,,,,,,NAA,,ZINC000005883957,,,,,445246,[H]N([C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@H]1O)C(C)=O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7+,8-/m1/s1",OVRNDRQMDRJTHS-UIAUGNHASA-N
DB03110,95-57-8,2-Chlorophenol,experimental,,,,,,2CH,,ZINC000000402767,CHEMBL108877,36301,,47083,7245,OC1=CC=CC=C1Cl,"InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H",ISPYQTSUDJAMAB-UHFFFAOYSA-N
DB03111,,Glucosamine 1-Phosphate,experimental,,,,,,GP1,,ZINC000004097029,,,,27625,188960,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O,"InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1",YMJBYRVFGYXULK-QZABAPFNSA-N
DB03112,,"6-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Hexanoic Acid",experimental,,,,,,SHM,,ZINC000005851657,,,,,446904,[H][C@]12CS[C@@]([H])(CCCCCC(O)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C11H18N2O3S/c14-9(15)5-3-1-2-4-8-10-7(6-17-8)12-11(16)13-10/h7-8,10H,1-6H2,(H,14,15)(H2,12,13,16)/t7-,8-,10-/m0/s1",CUIOUBJXOZHWNJ-NRPADANISA-N
DB03113,,3-Fluoro-2-(Phosphonooxy)Propanoic Acid,experimental,,,,,,FPE,,ZINC000012503067,,,,,5288237,[H][C@@](CF)(OP(O)(O)=O)C(O)=O,"InChI=1S/C3H6FO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",BNOCDEBUFVJMQI-REOHCLBHSA-N
DB03114,,PAS219,experimental,,,,,,219,,ZINC000012503069,CHEMBL24811,14685,,,5287461,O[P@@](=O)(OCC1CCCCC1)OC1=C(C=O)C=CC=C1,"InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17)",YBEVTZVQKMYQPM-UHFFFAOYSA-N
DB03115,,"5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide",experimental,,,,,,BBM,,ZINC000014880614,,,,,448535,[H]N(OC[C@@H](O)CO)C(=O)C1=CC(Br)=C(F)C(F)=C1N([H])C1=C(F)C=C(I)C=C1,"InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)/t8-/m0/s1",XXSSGBYXSKOLAM-QMMMGPOBSA-N
DB03116,,5-(1-Carboxy-1-Phosphonooxy-Ethoxyl)-Shikimate-3-Phosphate,experimental,,,,,,SKP,,ZINC000016052263,,,,,5289376,[H][C@]1(CC(=C[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)C(O)=O)O[C@@](C)(OP(O)(O)=O)C(O)=O,"InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1",QUQKBSPZUVNKIF-JQCUSGDOSA-N
DB03117,,2-carboxypropyl-coenzyme A,experimental,,,,,,2CP,,ZINC000195757956,,,,,449598,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC[C@H](C)C(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C25H42N7O18P3S/c1-13(24(37)38)9-54-7-6-27-15(33)4-5-28-22(36)19(35)25(2,3)10-47-53(44,45)50-52(42,43)46-8-14-18(49-51(39,40)41)17(34)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,4-10H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1",YLEVKEKTOJAHCY-UQCJFRAESA-N
DB03118,,(2Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-propen-1-one,experimental,,,,,,100,,ZINC000101610947,CHEMBL473489,50479093,,,,O\C(=C/C(=O)C1=CNC2=CC=C(Cl)C=C12)C1=NN=NN1,"InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-5,14,20H,(H,15,16,17,18)/b11-4-",LKVXXMOMTRBUQI-WCIBSUBMSA-N
DB03120,104-15-4,p-Toluenesulfonic acid,experimental,,,,,,TSU,,ZINC000006427042,CHEMBL541253,50294029,,27849,20307553,CC1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",JOXIMZWYDAKGHI-UHFFFAOYSA-N
DB03121,59283-35-1,(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid,experimental,,,,,,I3N,,ZINC000001685326,CHEMBL148756,50055737,,,1372,COC1=CC2=C(C=C1)N(CC1=CC=CC=C1)C(C)=C2CC(O)=O,"InChI=1S/C19H19NO3/c1-13-16(11-19(21)22)17-10-15(23-2)8-9-18(17)20(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)",ZEKCBTQHDTUHRJ-UHFFFAOYSA-N
DB03124,,5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid,experimental,,,,,,161,,ZINC000012503088,,,,,5287429,[H][C@@](CC(O)=O)(NC(=O)C1=CC=C(CNS(=O)(=O)C2=CC(C(O)=O)=C(O)C=C2)C=C1)C(C)=O,"InChI=1S/C20H20N2O9S/c1-11(23)16(9-18(25)26)22-19(27)13-4-2-12(3-5-13)10-21-32(30,31)14-6-7-17(24)15(8-14)20(28)29/h2-8,16,21,24H,9-10H2,1H3,(H,22,27)(H,25,26)(H,28,29)/t16-/m0/s1",LBAHOXPDTNUYCX-INIZCTEOSA-N
DB03125,,"2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium",experimental,,,,,,TRR,,,,,,,446998,COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OC)=C1OC,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/p+1",IEDVJHCEMCRBQM-UHFFFAOYSA-O
DB03126,,Mant-Adp,experimental,,,,,,MNT,,ZINC000014880629,,,,,5288821,[H][C@@]1(C[C@]([H])(OC(=O)C2=CC=CC=C2NC)[C@@]([H])(COP(O)(=O)OP(O)(O)=O)O1)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14+/m0/s1",QPKUEBLEGWBRHC-BFHYXJOUSA-N
DB03127,618-39-3,Benzamidine,experimental,,,,,,,,,,772,,187892,444655,NC(=[NH2+])C1=CC=CC=C1,"InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1",PXXJHWLDUBFPOL-UHFFFAOYSA-O
DB03128,51-84-3,Acetylcholine,"['approved', 'investigational']",,S01EB09,,194,PA448031,ACH,65,ZINC000003079336,CHEMBL667,10759,ACETYLCHOLINE,15355,187,CC(=O)OCC[N+](C)(C)C,"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",OIPILFWXSMYKGL-UHFFFAOYSA-N
DB03129,,"Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium",experimental,,,,,,SBP,,,,,,,5289336,[H]N([H])C(N([H])[H])=[N+]([H])CCCOB1OCCO1,"InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1",QHANCKHXGBJANE-UHFFFAOYSA-O
DB03130,,S-P-Nitrobenzyloxycarbonylglutathione,experimental,,,,,,GNB,,,,,,,5288453,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSC(O)OCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)N([H])CC(O)=O)C(O)=O,"InChI=1S/C18H24N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13,18,29H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,18?/m0/s1",QYFGPQQSJQOGEO-TVJRNMROSA-N
DB03132,,3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid,experimental,,,,,,BTS,,ZINC000001809738,CHEMBL1161789,,,,73555170,OS(=O)(=O)CCCSC1=NC2=C(S1)C=CC=C2,"InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)",XBNHRNFODJOFRU-UHFFFAOYSA-N
DB03133,,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole",experimental,,,,,,IMK,,ZINC000038378584,,,,,49867153,[H][C@]1(CO)O[C@@]([H])(C2=NC3=C(N2)C=C(C)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C14H18N2O5/c1-6-2-3-7-8(4-6)16-14(15-7)13-12(20)11(19)10(18)9(5-17)21-13/h2-4,9-13,17-20H,5H2,1H3,(H,15,16)/t9-,10-,11+,12-,13-/m1/s1",XIJZORUYQZBFJK-UJPOAAIJSA-N
DB03134,26630-55-7,L-2-aminopimelic acid,experimental,,,,,,NPI,,ZINC000001594926,,,,44387,446719,N[C@@H](CCCCC(O)=O)C(O)=O,"InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m0/s1",JUQLUIFNNFIIKC-YFKPBYRVSA-N
DB03135,,[2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid,experimental,,,,,,129,,,,,,,446273,ON(CCP(O)(O)=O)C=O,"InChI=1S/C3H8NO5P/c5-3-4(6)1-2-10(7,8)9/h3,6H,1-2H2,(H2,7,8,9)",NBAIGNUEKZLOMI-UHFFFAOYSA-N
DB03136,,4-Iodobenzo[B]Thiophene-2-Carboxamidine,experimental,,,,,,ESI,,,,14169,,,1746,NC(=[NH2+])C1=CC2=C(S1)C=CC=C2I,"InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)/p+1",YERQOXAYAFWFEJ-UHFFFAOYSA-O
DB03137,,"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine",experimental,,,,,,PUZ,,ZINC000003833894,CHEMBL326082,15384,,,5289232,COC1=CC(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C(OC)C=C1,"InChI=1S/C19H20FN5O2/c1-4-5-6-9-25-15(22-16-17(21)23-19(20)24-18(16)25)11-12-10-13(26-2)7-8-14(12)27-3/h1,7-8,10H,5-6,9,11H2,2-3H3,(H2,21,23,24)",RMOYVWKKOKERSW-UHFFFAOYSA-N
DB03138,14797-73-0,Perchlorate,experimental,,,,,,LCP,,,,36131,,49706,123351,[O-][Cl](=O)(=O)=O,"InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1",VLTRZXGMWDSKGL-UHFFFAOYSA-M
DB03139,,"6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid",experimental,,,,,,BH7,,ZINC000005185702,,,,,446905,[H][C@@]1(CCCCC(=O)NCCCCCC(O)=O)SC[C@]2([H])NC(=O)N[C@]12[H],"InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1",CMUGHZFPFWNUQT-HUBLWGQQSA-N
DB03140,,4-Carboxyphenylboronic Acid,experimental,,,,,,4CB,,ZINC000169743194,CHEMBL82324,50067885,,,312183,OB(O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)",SIAVMDKGVRXFAX-UHFFFAOYSA-N
DB03141,,"3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril",experimental,,,,,,BH0,,ZINC000014880632,CHEMBL362811,,,,448667,O[C@@H]1CN(N(CC2=CC=C(O)C=C2)C(=O)N(CC2=CC=C(O)C=C2)[C@@H]1CC1=CC=CC=C1)S(=O)(=O)C1=CC(=CC=C1)C#N,"InChI=1S/C32H30N4O6S/c33-19-26-7-4-8-29(17-26)43(41,42)36-22-31(39)30(18-23-5-2-1-3-6-23)34(20-24-9-13-27(37)14-10-24)32(40)35(36)21-25-11-15-28(38)16-12-25/h1-17,30-31,37-39H,18,20-22H2/t30-,31-/m1/s1",UYUWNNRWESUYOB-FIRIVFDPSA-N
DB03142,,Alpha-L-Arabinose,experimental,,,,,,AHR,,ZINC000002569310,,,,28772,445935,OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1",HMFHBZSHGGEWLO-QMKXCQHVSA-N
DB03143,28473-21-4,Nonan-1-Ol,experimental,,,,,,F09,,ZINC000001686993,CHEMBL24563,,,35986,8914,CCCCCCCCCO,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",ZWRUINPWMLAQRD-UHFFFAOYSA-N
DB03144,,N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine,experimental,,,,,,HAR,,ZINC000004096974,CHEMBL260629,50230418,,47819,123895,N[C@@H](CCCNC(=N)NO)C(O)=O,"InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1",FQWRAVYMZULPNK-BYPYZUCNSA-N
DB03145,,4-Methyl-5-Hydroxyethylthiazole Phosphate,experimental,,,,,,TZP,,ZINC000001529922,,,,17857,1137,CC1=C(CCOP(O)(O)=O)SC=N1,"InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)",OCYMERZCMYJQQO-UHFFFAOYSA-N
DB03146,,2-deazo-6-thiophosphate guanosine-5'-monophosphate,experimental,,,,,,PGS,,,,,,,,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2[NH+]=CN=C3SP(O)(O)=O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H14N4O10P2S/c15-6-4(1-23-25(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27-26(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1",NYBPOGVUIOPXHI-KQYNXXCUSA-O
DB03147,146-14-5,Flavin adenine dinucleotide,approved,,,D00005,1314412,,FAD,,ZINC000008215434,CHEMBL1232653,,,16238,643975,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1",VWWQXMAJTJZDQX-UYBVJOGSSA-N
DB03148,3768-14-7,Adenosine 5'-methylenediphosphate,experimental,,,,,,AP2,,ZINC000013527614,CHEMBL583969,18136,,40730,92199,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1",OLCWZBFDIYXLAA-IOSLPCCCSA-N
DB03150,,"2',3'-Dideoxythymidine-5'-Monophosphate",experimental,,,,,,2DT,,ZINC000001610269,CHEMBL1229914,,,,165151,CC1=CN([C@H]2CC[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1",WVNRRNJFRREKAR-JGVFFNPUSA-N
DB03151,,mu4-sulfido-quadro-tetracopper,experimental,,,,,,CUZ,,,,,,33730,,[Cu]12[Cu]3[Cu]4[Cu]1S234,InChI=1S/4Cu.S,IGIWMDIIFLPFOP-UHFFFAOYSA-N
DB03152,,B-2-Octylglucoside,experimental,,,,,,BGL,,ZINC000015651153,,,,,445463,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OCCCCCCCC,"InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-13-12(17)11(16)10(9-15)20-14(13)18/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1",BVHPDIWLWHHJPD-RKQHYHRCSA-N
DB03153,,"3H-pyrazolo[4,3-d]pyrimidin-7-ol",experimental,,,,,,PPO,,ZINC000012503118,,,,44995,135403816,OC1=NC=NC2=C1N=NC2,"InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h2H,1H2,(H,6,7,10)",OGCXIHWGXUQTCQ-UHFFFAOYSA-N
DB03154,,{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid,experimental,,,,,,FNP,,ZINC000002043452,CHEMBL1161221,,,,446662,OP(O)(=O)C(F)(F)C1=CC2=CC(=CC=C2C=C1)C(F)(F)P(O)(O)=O,"InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)",VHKBLEYUHBIBNR-UHFFFAOYSA-N
DB03155,,2'-fluoro-2'-deoxyuridine 3'-monophosphate,experimental,,,,,,UMF,,ZINC000033821548,,,,,5289534,[H]N1C(=O)C=CN([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@]2([H])F)C1=O,"InChI=1S/C9H12FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",IFIXUMAFUNKIAA-XVFCMESISA-N
DB03156,23018-83-9,beta-D-glucuronic acid,experimental,,,,,,BDP,,ZINC000004097543,CHEMBL1159524,,,28860,441478,O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1",AEMOLEFTQBMNLQ-QIUUJYRFSA-N
DB03157,,"N,O-didansyl-L-tyrosine",experimental,,,,,,DDT,,ZINC000024640039,CHEMBL176072,50161779,,,446468,[H]N([C@@H](CC1=CC=C(OS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C=C1)C(O)=O)S(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C,"InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1",LUBOPDUYHWABFG-NDEPHWFRSA-N
DB03158,47055-78-7,"D-Myo-Inositol-1,4-Bisphosphate",experimental,,,,,,2IP,,ZINC000100016166,,,,17816,,O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1",PELZSPZCXGTUMR-RTPHHQFDSA-N
DB03159,,CRA_8696,experimental,,,,,,696,,ZINC000002047576,CHEMBL96433,50102780,,,447476,NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC=CC(=C1[O-])C1=CC=CC=C1,"InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)",GAVRMVQHHVMXFD-UHFFFAOYSA-N
DB03160,,N-Pyridoxyl-7-Keto-8-Aminopelargonic Acid-5'-Monophosphate,experimental,,,,,,KAM,,ZINC000005930319,,,,,445085,[H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(=O)CCCCCC(O)=O,"InChI=1S/C17H27N2O8P/c1-11(15(20)6-4-3-5-7-16(21)22)19-9-14-13(10-27-28(24,25)26)8-18-12(2)17(14)23/h8,11,19,23H,3-7,9-10H2,1-2H3,(H,21,22)(H2,24,25,26)/t11-/m0/s1",YXEXNGWPUWJMIT-NSHDSACASA-N
DB03161,,Thymidine-5'-diphospho-beta-D-xylose,experimental,,,,,,TDX,,ZINC000015634247,,,,,447462,[H]N1C(=O)N(C=C(C)C1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O1,"InChI=1S/C15H24N2O15P2/c1-6-3-17(15(23)16-13(6)22)10-2-7(18)9(30-10)5-29-33(24,25)32-34(26,27)31-14-12(21)11(20)8(19)4-28-14/h3,7-12,14,18-21H,2,4-5H2,1H3,(H,24,25)(H,26,27)(H,16,22,23)/t7-,8+,9+,10+,11-,12+,14+/m0/s1",AJUADKZRQSBUAK-KDGZBOQCSA-N
DB03162,45654-48-6,"4-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid",experimental,,,,,,GBD,,ZINC000006523896,CHEMBL1232973,23251,,,448652,OC(=O)C1=NSN=C1O,"InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)",FVZITYNLUYJDOE-UHFFFAOYSA-N
DB03163,,2-oxopropyl-CoM,experimental,,,,,,KPC,,ZINC000001532281,,,,15881,443231,CC(=O)CSCCS(O)(=O)=O,"InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)",CRNXHFXAXBWIRH-UHFFFAOYSA-N
DB03164,,6-amino-1-methyl-7H-purin-1-ium,experimental,,,,,,M1A,,ZINC000012503143,,,,,444453,[H]N([H])C1=[N+](C)C=NC2=C1N([H])C=N2,"InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)/p+1",DYGBIJOMQSXREB-UHFFFAOYSA-O
DB03165,,2-Dimethylamino-Ethyl-Diphosphate,experimental,,,,,,DED,,ZINC000012503144,CHEMBL1232165,,,,447358,CN(C)CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C4H13NO7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3-4H2,1-2H3,(H,9,10)(H2,6,7,8)",QGKJQRINUQGSJM-UHFFFAOYSA-N
DB03166,64-19-7,Acetic acid,approved,,"['S02AA10', 'G01AD02']",D00010,168,PA448021,ACY,4211,ZINC000005224164,CHEMBL539,50074329,GLACIAL ACETIC ACID,15366,21980959,CC(O)=O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",QTBSBXVTEAMEQO-UHFFFAOYSA-N
DB03167,608-71-9,Pentabromophenol,experimental,,,,,,PBR,,ZINC000001687157,CHEMBL1235157,,,,11852,OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,SVHOVVJFOWGYJO-UHFFFAOYSA-N
DB03168,,Nicotinamide adenine dinucleotide cyclohexanone,experimental,,,,,,NDC,,,,,,,5288995,[H]N([H])C(=O)C1=C(C=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O)[C@@H]1CCCCC1=O,"InChI=1S/C27H35N7O15P2/c28-23-18-25(31-10-30-23)34(11-32-18)27-22(39)20(37)17(48-27)9-46-51(43,44)49-50(41,42)45-8-16-19(36)21(38)26(47-16)33-6-5-12(14(7-33)24(29)40)13-3-1-2-4-15(13)35/h5-7,10-11,13,16-17,19-22,26-27,36-39H,1-4,8-9H2,(H5-,28,29,30,31,40,41,42,43,44)/t13-,16+,17+,19+,20+,21+,22+,26+,27+/m0/s1",HTFHWJHTWKCYLR-RINXRSLZSA-N
DB03169,,(S)-Hmg-Coa,experimental,,,,,,HMG,,,,,,43074,131704231,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)C[C@@](C)(O)CC([O-])=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,"InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1",CABVTRNMFUVUDM-VRHQGPGLSA-I
DB03170,,Dephospho Coenzyme A,experimental,,,,,,COD,,ZINC000008551261,,,,15468,444485,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,"InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1",KDTSHFARGAKYJN-IBOSZNHHSA-N
DB03171,,Indole-3-Propanol Phosphate,experimental,,,,,,IPL,,,CHEMBL74074,50487976,,28162,3713,OP(O)(=O)OCCCC1=CNC2=C1C=CC=C2,"InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)",NKEZSFZOUIIZFL-UHFFFAOYSA-N
DB03172,69-33-0,Tubercidin,experimental,721814,,,,PA152530738,TBN,,ZINC000003832269,CHEMBL267099,50000298,,48267,6245,NC1=NC=NC2=C1C=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1",HDZZVAMISRMYHH-KCGFPETGSA-N
DB03173,,CRA_10433,experimental,,,,,,CR3,,ZINC000033360147,CHEMBL64579,14332,,,447478,NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],"InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)",CFSQPEBVGUSQII-UHFFFAOYSA-N
DB03174,,Phosphonoacetaldehyde,experimental,,,,,,POA,,,,,,18124,490,OP(O)(=O)CC=O,"InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)",YEMKIGUKNDOZEG-UHFFFAOYSA-N
DB03175,71-23-8,Propyl alcohol,approved,,"['D08AX53', 'D08AX03']",,1362872,,POL,4332,ZINC000000895969,CHEMBL14687,,PROPYL ALCOHOL,28831,1031,CCCO,"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",BDERNNFJNOPAEC-UHFFFAOYSA-N
DB03176,219691-94-8,KB-141,experimental,,,,,,IH5,,ZINC000003816405,CHEMBL41036,18869,,,9863447,CC(C)C1=CC(OC2=C(Cl)C=C(CC(O)=O)C=C2Cl)=CC=C1O,"InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)",OZYQIQVPUZANTM-UHFFFAOYSA-N
DB03177,614-97-1,5-methylbenzimidazole,experimental,11989805,,,,,5MB,,ZINC000005988533,CHEMBL157729,50208880,,40205,11979,CC1=CC2=C(C=C1)N=CN2,"InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)",RWXZXCZBMQPOBF-UHFFFAOYSA-N
DB03178,38557-85-6,"Guanosine-2',3'-cyclophosphorothioate",experimental,,,,,,SGP,,,,,,,,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)[C@@]2([H])O[P@](O)(=S)O[C@@]12[H],"InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1",QZEROIIFJLCOOE-FHIGPPGSSA-N
DB03179,,Sinapoyl coenzyme A,experimental,,,,,,SPF,,,,,,,131704232,COC1=CC(\C=C\C(=O)SCCNC(=O)CCNC(=O)C2(O)[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)C2(C)C)=CC(OC)=C1O,"InChI=1S/C32H44N7O20P3S/c1-31(2)29(32(31,45)30(44)35-8-7-20(40)34-9-10-63-21(41)6-5-16-11-17(53-3)23(42)18(12-16)54-4)58-62(51,52)59-61(49,50)55-13-19-25(57-60(46,47)48)24(43)28(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h5-6,11-12,14-15,19,24-25,28-29,42-43,45H,7-10,13H2,1-4H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t19-,24+,25-,28-,29-,32?/m1/s1",HJGDVDUGXUSOGA-ADTMLPBESA-N
DB03180,3171-45-7,"4,5-Dimethyl-1,2-phenylenediamine",experimental,,,,,,150,,ZINC000000153351,CHEMBL1229654,,,,76635,CC1=CC(N)=C(N)C=C1C,"InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3",XSZYBMMYQCYIPC-UHFFFAOYSA-N
DB03181,,"2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione",experimental,,,,,,PFA,,ZINC000002047672,CHEMBL125381,50123046,,,447271,CC(C)C1=CC(OC2=C(C)C=C(C=C2C)N2N=CC(=O)NC2=O)=CC=C1O,"InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26)",RXQAVKWRCZYGMV-UHFFFAOYSA-N
DB03182,,alpha-Fluoro-carboxymethyldethia coenzyme A complex,experimental,,,,,,FCX,,,,,,,135815451,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CC[C@@H](F)C(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C23H37FN7O18P3/c1-23(2,17(34)20(35)27-6-4-13(32)26-5-3-11(24)22(36)37)8-46-52(43,44)49-51(41,42)45-7-12-16(48-50(38,39)40)15(33)21(47-12)31-10-30-14-18(25)28-9-29-19(14)31/h9-12,15-17,21,33-34H,3-8H2,1-2H3,(H,26,32)(H,27,35)(H,36,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t11-,12-,15-,16-,17+,21-/m1/s1",JYRBBNPCUSRRNJ-BHVPBDGNSA-N
DB03183,,"1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",experimental,,,,,,5DE,,ZINC000000109947,CHEMBL1230397,14796,,,656966,CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(N)C=C1,"InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3",FIEYZIRYXYDMSK-UHFFFAOYSA-N
DB03184,,5-Amino-3-Methyl-Pyrrolidine-2-Carboxylic Acid,experimental,,,,,,X7O,,ZINC000033821558,,,,46486,5289579,[H][C@]1(N)C[C@@]([H])(C)[C@@]([H])(N1)C(O)=O,"InChI=1S/C6H12N2O2/c1-3-2-4(7)8-5(3)6(9)10/h3-5,8H,2,7H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1",ZELPFFKOULVLMW-UOWFLXDJSA-N
DB03185,,"1-Beta-Ribofuranosyl-1,3-Diazepinone",experimental,,,,,,BRD,,ZINC000033821233,,,,,5287841,[H][C@]1(CO)O[C@@]([H])(N2C=CC=CNC2=O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1",MEPCJRCEYSZBDO-FNCVBFRFSA-N
DB03186,,Adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate],experimental,,,,,,PUA,,ZINC000095613423,CHEMBL401150,50402338,,,448108,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4C[C@@H](O[C@@H]4COP(O)(O)=O)N4C=CC(=O)N([H])C4=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1",JIAJERGOUFOENU-LNAOLWRRSA-N
DB03187,,6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid,experimental,,,,,,OSS,,ZINC000005975463,,,,,5289084,[H][C@](CCCCC(O)=O)(CCSCN)SSCCO,"InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m0/s1",BFRWEULQQALYNZ-JTQLQIEISA-N
DB03189,,Cu-Cyclam,experimental,,,,,,MM1,,,,,,,17754081,[Cu].C1CNCCNCCCNCCNC1,"InChI=1S/C10H24N4.Cu/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;",LXENXYBNGDTDRA-UHFFFAOYSA-N
DB03190,136152-82-4,6-o-Capryloylsucrose,experimental,,,,,,,,ZINC000015894686,,,,,447970,[H][C@]1(COC(=O)CCCCCCC)O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-15(25)18(28)20(10-22,31-12)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1",AWSYOWHJNGZJGU-OASARBKBSA-N
DB03191,,3-Oxiran-2ylalanine,experimental,,,,,,LIS,,,,85447,,,447569,[H][C@](N)(C[C@@]1([H])CO1)C(O)=O,"InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1",HKPCHCJYQVJLIZ-IMJSIDKUSA-N
DB03192,,(R)-3-hydroxydecanoyl-CoA,experimental,,,,,,HDC,,ZINC000096095216,,,,74405,447877,CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1",HIVSMYZAMUNFKZ-PDQACDDGSA-N
DB03193,57-11-4,Stearic acid,"['experimental', 'approved']",,,D00119,1310551,,STE,4611,ZINC000004978673,CHEMBL46403,50240485,STEARIC ACID,28842,139057051,CCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",QIQXTHQIDYTFRH-UHFFFAOYSA-N
DB03194,24332-98-7,Methyl beta-L-fucopyranoside,experimental,,,,,,MFB,,ZINC000004283898,CHEMBL1234283,,,,7167925,CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1",OHWCAVRRXKJCRB-XUVCUMPTSA-N
DB03195,25520-83-6,3'-Fluoro-3'-deoxythymidine 5'-monophosphate,experimental,,,,,,FDM,,ZINC000006521360,CHEMBL1160619,,,,447405,CC1=CN([C@H]2C[C@H](F)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H14FN2O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",GGCAVPJXJISBOA-XLPZGREQSA-N
DB03196,,4-Nitrophenyl-Ara,experimental,,,,,,KHP,,ZINC000006093332,,,,,151437,[H][C@@]1(CO)O[C@@]([H])(OC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1",DUYYBTBDYZXISX-UKKRHICBSA-N
DB03197,712-29-8,6-Hydroxymethylpterin,experimental,,,,,,HHR,,ZINC000016051887,CHEMBL101541,50115144,,,135415975,NC1=NC(=O)C2=NC(CO)=CN=C2N1,"InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)",XGWIBNWDLMIPNF-UHFFFAOYSA-N
DB03198,,Thio-Maltohexaose,experimental,,,,,,,,,,,,,449606,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]6([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C36H62O28S3/c37-1-7-13(43)14(44)23(53)34(60-7)66-29-11(5-41)58-32(21(51)18(29)48)64-27-9(3-39)62-36(25(55)16(27)46)67-30-12(6-42)59-33(22(52)19(30)49)63-26-8(2-38)61-35(24(54)15(26)45)65-28-10(4-40)57-31(56)20(50)17(28)47/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1",UMAYFXWVUSVOCQ-QXVNYKTNSA-N
DB03199,,4-Methoxy-E-Rhodomycin T,experimental,,,,,,ERT,,ZINC000058638580,,,,,42627031,[H][C@@]1(C[C@]([H])(N(C)C)[C@]([H])(O)[C@]([H])(C)O1)O[C@@]1([H])C[C@](O)(CC)[C@]([H])(C(=O)OC)C2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O,"InChI=1S/C31H37NO11/c1-7-31(39)12-17(43-18-11-15(32(3)4)25(33)13(2)42-18)20-21(24(31)30(38)41-6)29(37)22-23(28(20)36)27(35)19-14(26(22)34)9-8-10-16(19)40-5/h8-10,13,15,17-18,24-25,33,36-37,39H,7,11-12H2,1-6H3/t13-,15-,17-,18-,24-,25+,31+/m0/s1",XSSVYBYWQBNYOH-QJIXERIWSA-N
DB03200,,7-Alpha-D-Ribofuranosyl-Purine-5'-Phosphate,experimental,,,,,,7RP,,ZINC000012503220,,,,,446857,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=NC=NC=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10+/m1/s1",NICKPTPNIMHUHB-DQUBFYRCSA-N
DB03201,921-01-7,D-Cysteine,experimental,,,,,,DCY,,ZINC000000895347,CHEMBL171281,50109584,,16375,6419721,N[C@H](CS)C(O)=O,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1",XUJNEKJLAYXESH-UWTATZPHSA-N
DB03202,,"2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide",experimental,,,,,,TFI,,ZINC000003870765,,,,,5289459,[H][C@](NC(=O)CN1C(=O)C(NS(C)(=O)=O)=CN=C1C1=CC=C(N)C=C1)(C(C)C)C(=O)C(F)(F)F,"InChI=1S/C19H22F3N5O5S/c1-10(2)15(16(29)19(20,21)22)25-14(28)9-27-17(11-4-6-12(23)7-5-11)24-8-13(18(27)30)26-33(3,31)32/h4-8,10,15,26H,9,23H2,1-3H3,(H,25,28)/t15-/m0/s1",JWSWTHSJMGVOKE-HNNXBMFYSA-N
DB03203,123-78-4,Sphingosine,experimental,,,,,,SQS,,ZINC000008195650,CHEMBL67166,83205,,16393,5280335,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@@]([H])(N)CO,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",WWUZIQQURGPMPG-KRWOKUGFSA-N
DB03204,95-02-3,4-amino-5-aminomethyl-2-methylpyrimidine,experimental,,,,,,NSP,,ZINC000000336542,,,,44549,66762,CC1=NC=C(CN)C(N)=N1,"InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)",OZOHTVFCSKFMLL-UHFFFAOYSA-N
DB03205,72909-34-3,Pyrroloquinoline Quinone,experimental,,,,,,PQQ,,ZINC000001532545,CHEMBL1235421,,,18315,1024,OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(O)=O)C(=O)C2=O,"InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)",MMXZSJMASHPLLR-UHFFFAOYSA-N
DB03206,19130-96-2,Duvoglustat,investigational,,,D09605,,,NOJ,,ZINC000003794714,CHEMBL307429,18351,1-DEOXYNOJIRIMYCIN,44369,29435,OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1",LXBIFEVIBLOUGU-JGWLITMVSA-N
DB03207,,"2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid",experimental,,,,,,BSI,,ZINC000003872815,,,,,444698,[H][C@@]1(CC2=C(CN1S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C=CC=C2)C(O)=O,"InChI=1S/C22H19NO4S/c24-22(25)21-14-18-8-4-5-9-19(18)15-23(21)28(26,27)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,25)/t21-/m1/s1",BNVMUDXGABBWGP-OAQYLSRUSA-N
DB03208,,"Beta-1,2,3,4,6-Penta-O-Galloyl-D-Glucopyranose",experimental,,,,,,GGP,,ZINC000169301047,,,,,446509,[H][C@@]1(COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@]1([H])OC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33+,34-,35-,41-/m0/s1",QJYNZEYHSMRWBK-CGKDMBANSA-N
DB03209,937-13-3,Oteracil,approved,,,D06399,,,OXC,2002,ZINC000013514753,CHEMBL181932,,OTERACIL,30863,4604,OC(=O)C1=NC(=O)NC(=O)N1,"InChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)",RYYCJUAHISIHTL-UHFFFAOYSA-N
DB03210,,4-Aminohydrocinnamic Acid,experimental,,,,,,AHC,,ZINC000000283596,,,,,75451,NC1=CC=C(CCC(O)=O)C=C1,"InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)",WXOHKMNWMKZMND-UHFFFAOYSA-N
DB03211,,(3-Formyl-but-3-Enyl)-Phosphonic Acid,experimental,,,,,,CYX,,ZINC000006761111,,,,,4628690,OP(O)(=O)CCC(=C)C=O,"InChI=1S/C5H9O4P/c1-5(4-6)2-3-10(7,8)9/h4H,1-3H2,(H2,7,8,9)",UBLMBCUBDKMVMQ-UHFFFAOYSA-N
DB03212,,4-Deoxyglucarate,experimental,,,,,,DXG,,,,,,,5288136,[H][C@](O)(C[C@]([H])(O)[C@@]([H])(O)C([O-])=O)C([O-])=O,"InChI=1S/C6H10O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2-4,7-9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,3-,4+/m0/s1",WZLURCXZSPTANB-YVZJFKFKSA-L
DB03213,,Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone,experimental,,,,,,BAK,,,,,,,2280,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(=O)C1=NC2=C(N1)C=CC(=C2)C([NH3+])=[NH2+],"InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2",VVVXDHROXQUONB-UHFFFAOYSA-P
DB03214,70982-53-5,Vinylglycine,experimental,,,,,,LVG,,ZINC000001566185,,,,43858,156126,N[C@@H](C=C)C(O)=O,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m0/s1",RQVLGLPAZTUBKX-VKHMYHEASA-N
DB03215,,"(2s,5s)-5-Carboxymethylproline",experimental,,,,,,SSC,,,,,,45757,447989,[H][C@@]1(CC(O)=O)CC[C@]([H])(N1)C(O)=O,"InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1",LIZWYFXJOOUDNV-WHFBIAKZSA-N
DB03216,,"(1'R,2'S)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-yl)Adenine",experimental,,,,,,ADC,,,,,,,5287610,NC1=NC=NC2=C1N=CN2[C@@H]1C=C[C@H](O)[C@H]1O,"InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6+,8+/m1/s1",RQPALADHFYHEHK-CHKWXVPMSA-N
DB03217,,DPI59,experimental,,,,,,I59,,ZINC000002047566,,,,,447531,[H][C@@](O)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O,"InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1",AXIBZLYWMBUYRV-NSHDSACASA-N
DB03218,,N-acetyl-N'-beta-D-glucopyranosyl urea,experimental,,,,,,AZC,,ZINC000005855499,CHEMBL443455,50263770,,,446801,CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1",UQKBNLXZEGBQAF-JAJWTYFOSA-N
DB03219,,11-Deoxy-Beta-Rhodomycin,experimental,,,,,,DRA,,ZINC000098208809,,,,,5288114,[H][C@]1(O)C[C@]([H])(O[C@]2([H])[C@]([H])(C)O[C@]([H])(C[C@]2([H])N(C)C)O[C@@]2([H])C[C@](O)(CC)[C@]([H])(O)C3=C2C(O)=C2C(=O)C4=C(C=CC=C4O)C(=O)C2=C3)O[C@@]([H])(C)[C@]1([H])O[C@@]1([H])CCC(=O)[C@@]([H])(C)O1,"InChI=1S/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/t17-,18+,19+,23+,26+,27+,28+,29+,30+,37-,38+,39-,40-/m1/s1",OQDCVONZQOVIMP-UNQJTBPASA-N
DB03220,256461-79-7,FR-234938,experimental,,,,,,FR6,,ZINC000000024494,CHEMBL93560,22948,,,449013,C[C@H](O)[C@@H](CCC1=C2C=CC=CC2=CC=C1)N1C=NC(=C1)C(N)=O,"InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1",OODDZQQDDOVCFD-SCLBCKFNSA-N
DB03221,,AL7099A,experimental,,,,,,AL7,,ZINC000003870429,,11937,,,4369101,CN[C@@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m1/s1",RMOXCYSVWCHXII-GFCCVEGCSA-N
DB03222,1927-31-7,dATP,experimental,,,,,,DTP,,ZINC000008215662,CHEMBL335538,50118233,,16284,15993,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,"InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1",SUYVUBYJARFZHO-RRKCRQDMSA-N
DB03223,75645-22-6,Diphthamide,experimental,,,,,,DDE,,,,,,15949,46936613,C[N+](C)(C)[C@@H](CCC1=NC(C[C@H](N)C(O)=O)=CN1)C(N)=O,"InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10-/m0/s1",FOOBQHKMWYGHCE-UWVGGRQHSA-O
DB03224,,2-Formyl-Protoporphryn Ix,experimental,,,,,,HFM,,,,,,,135678096,[Fe+4].[H]\C(O)=C1/C(C)=C2[N-]/C/1=C([H])\C1=C(C)[C@@]([H])(C=C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]/C(=C\2/[H])C(C)=C1CCC(O)=O,"InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26;/h6,11-15,20,38H,1,7-10H2,2-5H3,(H,39,40)(H,41,42);/q-4;+4/b23-15-,24-11-,28-12-,29-14-,31-13-;/t20-;/m1./s1",FHUDUDXQVBEXIJ-VAASEELXSA-N
DB03225,153-94-6,D-Tryptophan,experimental,,,,,,DTR,,ZINC000000083317,CHEMBL292303,50043799,,16296,6923517,N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1",QIVBCDIJIAJPQS-SECBINFHSA-N
DB03226,75-89-8,Trifluoroethanol,experimental,,,,,,ETF,,ZINC000003860799,CHEMBL116675,,,42330,6409,OCC(F)(F)F,"InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2",RHQDFWAXVIIEBN-UHFFFAOYSA-N
DB03227,,Nicotinamide Mononucleotide,experimental,,,,2262276,,NMN,,ZINC000053684234,,,,,6093202,NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O,"InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9+,11+/m0/s1",DAYLJWODMCOQEW-WYOJIJJFSA-O
DB03228,,"5-[Bis-2(Chloro-Ethyl)-Amino]-2,4-Dintro-Benzamide",experimental,,,,,,SN2,,ZINC000003930679,CHEMBL281812,50004694,,,126690,NC(=O)C1=C(C=C(C(=C1)N(CCCl)CCCl)[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C11H12Cl2N4O5/c12-1-3-15(4-2-13)9-5-7(11(14)18)8(16(19)20)6-10(9)17(21)22/h5-6H,1-4H2,(H2,14,18)",DQMALWRRERBILB-UHFFFAOYSA-N
DB03229,816-66-0,alpha-Ketoisocaproic acid,experimental,16805814,,,,,COI,,ZINC000001532578,CHEMBL445647,50390988,,48430,70,CC(C)CC(=O)C(O)=O,"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",BKAJNAXTPSGJCU-UHFFFAOYSA-N
DB03230,,Adenosine-5'-Propylphosphate,experimental,,,,,,PRX,,ZINC000015894146,,,,,447832,[H][C@]1(COP(O)(=O)OCCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C13H20N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1",XAMXMSZRQHPMRX-QYVSTXNMSA-N
DB03231,,"3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide",experimental,,,,,,PSB,,ZINC000013559921,CHEMBL297273,50143049,,,135403817,[H]N([H])C1=NC(=O)C2=NN(N([H])C2=N1)C1=CC=CC(=C1)C(=O)N([H])CC1=CC=CC=C1SC1=CC=CC=C1CO,"InChI=1S/C25H21N7O3S/c26-25-28-22-21(24(35)29-25)30-32(31-22)18-9-5-8-15(12-18)23(34)27-13-16-6-1-3-10-19(16)36-20-11-4-2-7-17(20)14-33/h1-12,33H,13-14H2,(H,27,34)(H3,26,28,29,31,35)",IXDQOBDHBWEZOH-UHFFFAOYSA-N
DB03232,,"2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaenyl]Phenol",experimental,,,,,,8PP,,ZINC000004096912,,,,40407,5280832,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC=CC=C1O,"InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+",VUNQJPPPTJIREN-CMAXTTDKSA-N
DB03233,42214-32-4,3'-deoxy-3'-aminothymidine monophosphate,experimental,,,,,,NYM,,ZINC000006069512,CHEMBL1160597,,,,162501,[H]N([H])[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(C)C(=O)N([H])C1=O,"InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1",BQZMHQZNZNBJNF-XLPZGREQSA-N
DB03234,,"(4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone",experimental,,,,,,R01,,,CHEMBL65230,50128070,,,445986,CN(CC=C)CC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1,"InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3",YATCZCSDJCQNAL-UHFFFAOYSA-N
DB03235,,N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide,experimental,,,,,,J15,,ZINC000058639010,,,,,447977,[H]N([H])CCCN1CCN(CCCN([H])C(=O)C2=CC(=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)[N+]([O-])=O)CC1,"InChI=1S/C23H37N5O9/c24-3-1-5-26-7-9-27(10-8-26)6-2-4-25-22(33)15-11-16(28(34)35)13-17(12-15)36-23-21(32)20(31)19(30)18(14-29)37-23/h11-13,18-21,23,29-32H,1-10,14,24H2,(H,25,33)/t18-,19+,20+,21-,23+/m1/s1",UEIGEWJJVQHIAX-MKQKURRLSA-N
DB03236,,(2s)-4-(Beta-Alanylamino)-2-Aminobutanoic Acid,experimental,,,,,,193,,ZINC000012503315,,,,,46936619,NCCC(=O)NCC[C@H](N)C(O)=O,"InChI=1S/C7H15N3O3/c8-3-1-6(11)10-4-2-5(9)7(12)13/h5H,1-4,8-9H2,(H,10,11)(H,12,13)/t5-/m0/s1",ZTTQHTAQUGLWNQ-YFKPBYRVSA-N
DB03237,,"2,3-Dihydroxy-5-Oxo-Hexanedioate",experimental,,,,,,GLR,,,,,,42819,5288442,O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O,"InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1",QUURPCHWPQNNGL-ZAFYKAAXSA-L
DB03238,,"3,5-Difluoroaniline",experimental,,,,,,5AN,,ZINC000000164838,,,,,96595,NC1=CC(F)=CC(F)=C1,"InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2",KQOIBXZRCYFZSO-UHFFFAOYSA-N
DB03239,,"3',5'-Dinitro-N-Acetyl-L-Thyronine",experimental,,,,,,P28,,ZINC000002043134,,,,,449394,[H][C@@](CC1=CC=C(OC2=CC(=C(O)C(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)(NC(C)=O)C(O)=O,"InChI=1S/C17H15N3O9/c1-9(21)18-13(17(23)24)6-10-2-4-11(5-3-10)29-12-7-14(19(25)26)16(22)15(8-12)20(27)28/h2-5,7-8,13,22H,6H2,1H3,(H,18,21)(H,23,24)/t13-/m0/s1",VZSQTOXQXPKQJX-ZDUSSCGKSA-N
DB03240,,"(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid",experimental,,,,,,CPW,,ZINC000001490608,CHEMBL337577,50107595,,,657004,N[C@@H](CN1C2=C(CCC2)C(=O)NC1=O)C(O)=O,"InChI=1S/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/m0/s1",VSGUEKZRMJVQOH-LURJTMIESA-N
DB03241,,1-Amino-1-Carbonyl Pentane,experimental,,,,,,,,,,,,,5288719,[H][C@](N)(CCCC)C=O,"InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1",TZJGKUCHNFFHGN-LURJTMIESA-N
DB03242,,P-Aminophenyl-Alpha-D-Galactopyranoside,experimental,,,,,,GAT,,,,,,,445340,[H][C@]1(CO)O[C@]([H])(OC2=CC=C(N)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1",MIAKOEWBCMPCQR-IIRVCBMXSA-N
DB03243,,4-Fluorobenzylamine,experimental,,,,,,FBA,,,,,,,448749,[NH3+]CC1=CC=C(F)C=C1,"InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1",IIFVWLUQBAIPMJ-UHFFFAOYSA-O
DB03244,,"(S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid",experimental,,,,,,TA4,,ZINC000012503325,,,,,49867722,[H][C@@](CC(C)C)(N1C=C(CN)N=N1)C(O)=O,"InChI=1S/C9H16N4O2/c1-6(2)3-8(9(14)15)13-5-7(4-10)11-12-13/h5-6,8H,3-4,10H2,1-2H3,(H,14,15)/t8-/m0/s1",IAMZCZOWEDXWHW-QMMMGPOBSA-N
DB03245,,S-4-Nitrobutyryl-CoA,experimental,,,,,,NBC,,ZINC000195757740,,,,,448575,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C25H41N8O19P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-56-16(35)4-3-8-33(39)40)11-49-55(46,47)52-54(44,45)48-10-14-19(51-53(41,42)43)18(36)24(50-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t14-,18-,19-,20+,24-/m1/s1",PXNIOQHGCSEKCC-CITAKDKDSA-N
DB03246,5328-37-0,Beta-L-Arabinose,experimental,,,,,,FUB,,ZINC000003860202,,,,40886,439764,OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m0/s1",HMFHBZSHGGEWLO-KLVWXMOXSA-N
DB03247,146-17-8,Flavin mononucleotide,"['approved', 'investigational']",,,,,,FMN,,ZINC000003831425,CHEMBL1201794,50421345,RIBOFLAVIN 5'-PHOSPHATE SODIUM,17621,643976,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",FVTCRASFADXXNN-SCRDCRAPSA-N
DB03248,,2-(Phosphonooxy)Butanoic Acid,experimental,,,,,,PEZ,,ZINC000012503329,,,,,17754119,CC[C@@H](OP(O)(O)=O)C(O)=O,"InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1",OETAGSCBSKODFW-GSVOUGTGSA-N
DB03249,,2'-O-Methyl-3'-Methyl-3'-Deoxy-Arabinofuranosyl-Thymine-5'-Phosphate,experimental,,,,,,T23,,ZINC000058650359,,,,,17754189,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=C(C)C(=O)NC2=O)[C@]([H])(OC)[C@]1([H])C,"InChI=1S/C12H19N2O8P/c1-6-4-14(12(16)13-10(6)15)11-9(20-3)7(2)8(22-11)5-21-23(17,18)19/h4,7-9,11H,5H2,1-3H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1",MCXXETKRWYMFCI-TURQNECASA-N
DB03250,,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Benzothiazole",experimental,,,,,,TH1,,ZINC000038378861,,,,,22298966,[H][C@]1(CO)O[C@@]([H])(C2=NC3=CC(C)=CC=C3S2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C14H17NO5S/c1-6-2-3-9-7(4-6)15-14(21-9)13-12(19)11(18)10(17)8(5-16)20-13/h2-4,8,10-13,16-19H,5H2,1H3/t8-,10-,11+,12-,13-/m1/s1",WGJFWQVWYRZPEP-KABOQKQYSA-N
DB03251,,RWJ-51084,experimental,,,,,,RWJ,,ZINC000012503351,CHEMBL164138,50139747,,,5289320,[H]N([H])C(=NCCC[C@H](N([H])C(=O)C1CCCC1)C(=O)C1=NC2=CC=CC=C2S1)N([H])[H],"InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1",NQABUEUFRXDDFI-AWEZNQCLSA-N
DB03252,923-27-3,D-Lysine,experimental,,,,,,DLY,,ZINC000001532731,CHEMBL319497,217368,,16855,57449,[H][C@@](N)(CCCCN)C(O)=O,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1",KDXKERNSBIXSRK-RXMQYKEDSA-N
DB03253,,(2s)-Pyrrolidin-2-Ylmethylamine,experimental,,,,,,P2Y,,ZINC000039357503,,,,44632,2734054,NC[C@@H]1CCCN1,"InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2/t5-/m0/s1",AUKXFNABVHIUAC-YFKPBYRVSA-N
DB03254,,4-Phenyl-1h-Imidazole,experimental,,,,,,231,,ZINC000004692811,CHEMBL14145,24656,,,69590,N1C=NC=C1C1=CC=CC=C1,"InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)",XHLKOHSAWQPOFO-UHFFFAOYSA-N
DB03255,108-95-2,Phenol,"['experimental', 'approved']","['23714150', '9826983', '6764550']","['R02AA19', 'N01BX03', 'D08AE03', 'C05BB05']",D00033,33290,PA450913,IPH,4266,ZINC000005133329,CHEMBL14060,26187,PHENOL,15882,20488062,OC1=CC=CC=C1,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",ISWSIDIOOBJBQZ-UHFFFAOYSA-N
DB03256,73951-54-9,(6R)-Folinic acid,experimental,,,,,,FON,,ZINC000009212428,CHEMBL1232801,,FOLINIC ACID,,135484651,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1[H],"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1",VVIAGPKUTFNRDU-OLZOCXBDSA-N
DB03257,,"5-[1-(Acetylamino)-3-Methylbutyl]-2,5-Anhydro-3,4-Dideoxy-4-(Methoxycarbonyl)Pentonic Acid",experimental,,,,,,ABW,,ZINC000005962783,CHEMBL183817,50157212,,,449201,[H][C@@](CC(C)C)(NC(C)=O)[C@]1([H])O[C@]([H])(C[C@@]1([H])C(=O)OC)C(O)=O,"InChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18)/t9-,10+,11-,12-/m1/s1",MUJPWSPVNZGJOW-WRWGMCAJSA-N
DB03258,2056-98-6,2'-Deoxycytidine 5'-triphosphate,experimental,,,,,,DCP,,ZINC000008215945,CHEMBL560403,50480766,,16311,65091,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,"InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",RGWHQCVHVJXOKC-SHYZEUOFSA-N
DB03259,,"2',6'-Dichloro-Biphenyl-2,6-Diol",experimental,,,,,,BP6,,ZINC000002047793,,,,49509,446948,OC1=CC=CC(=C1O)C1=C(Cl)C=CC=C1Cl,"InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H",MCZUCSAAGDCHHN-UHFFFAOYSA-N
DB03260,124-09-4,Hexamethylene diamine,experimental,,,,,,16D,,ZINC000001543408,CHEMBL303004,50323740,,39618,16402,NCCCCCCN,InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2,NAQMVNRVTILPCV-UHFFFAOYSA-N
DB03262,,"Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]",experimental,,,,,,INQ,,ZINC000012503368,CHEMBL353861,11390,,,4369172,NS(=O)(=O)C1=CC2=C(S1)S(=O)(=O)N(C(CN1CCOCC1)=C2)C1=CC(O)=CC=C1,"InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)",PZLYYZPXSSNGJS-UHFFFAOYSA-N
DB03263,,Thiocellobiose,experimental,,,,,,,,ZINC000013551340,,,,,446272,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(S[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1",VDQIIPZYLPYPNM-QRZGKKJRSA-N
DB03264,,Dodecyl-Coa,experimental,,,,,,DCC,,ZINC000096014531,,,,15521,165436,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1",YMCXGHLSVALICC-GMHMEAMDSA-N
DB03266,111-30-8,Glutaral,experimental,,,,4888,PA449777,PTD,3267,ZINC000001729593,CHEMBL1235482,,GLUTARALDEHYDE,64276,3485,O=CCCCC=O,"InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2",SXRSQZLOMIGNAQ-UHFFFAOYSA-N
DB03267,,1-Allyl-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine,experimental,,,,,,TSX,,ZINC000015677757,CHEMBL120293,,,,447076,CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC=C)C1=O,"InChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24)",XFOWZKUTPKXWIE-UHFFFAOYSA-N
DB03268,,RU82197,experimental,,,,,,197,,ZINC000014880680,CHEMBL358866,14696,,,5287443,CC(=O)N[C@@H](CC1=CC(C=O)=C(C=C1)C(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,"InChI=1S/C32H33N3O6/c1-21(37)33-29(18-23-12-15-27(32(40)41)26(17-23)20-36)30(38)34-28-9-5-6-16-35(31(28)39)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,28-29H,5-6,9,16,18-19H2,1H3,(H,33,37)(H,34,38)(H,40,41)/t28-,29-/m0/s1",WKTQBTSOHBKBRW-VMPREFPWSA-N
DB03269,,"4,6-Dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}hexopyranose",experimental,,,,,,AF1,,,,,,,131704236,[H][C@]1(C)O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)C([H])(O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8?,9+,10+,11+,12-,13-/m1/s1",RBZIIHWPZWOIDU-MKXIPYFISA-N
DB03270,,"2,6-Difluorobenzenesulfonamide",experimental,,,,,,FBT,,ZINC000000404039,,,,42429,446274,NS(=O)(=O)C1=C(F)C=CC=C1F,"InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H2,9,10,11)",RVVVGGCOFWWDEL-UHFFFAOYSA-N
DB03272,,4-Bromo-3-(5'-Carboxy-4'-Chloro-2'-Fluorophenyl)-1-Methyl-5-Trifluoromethyl-Pyrazol,experimental,,,,,,OMN,,,,,,,448564,CN1N=C(C(Br)=C1C(F)(F)F)C1=CC(C(O)=O)=C(Cl)C=C1F,"InChI=1S/C12H6BrClF4N2O2/c1-20-10(12(16,17)18)8(13)9(19-20)5-2-4(11(21)22)6(14)3-7(5)15/h2-3H,1H3,(H,21,22)",YNMHKERYELPEEF-UHFFFAOYSA-N
DB03273,,3'-Oxo-Adenosine,experimental,,,,,,ADY,,,,,,,446824,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1=O,"InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,7,10,16,18H,1H2,(H2,11,12,13)/t4-,7-,10-/m1/s1",MIAZJCOESMXYNJ-XMRAEQSQSA-N
DB03274,35959-50-3,"2',5'-Dideoxyuridine",experimental,,,,,,DDU,,ZINC000003870698,,,,,444320,[H]N1C(=O)C=CN([C@H]2C[C@H](O)[C@@H](C)O2)C1=O,"InChI=1S/C9H12N2O4/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14/h2-3,5-6,8,12H,4H2,1H3,(H,10,13,14)/t5-,6+,8-/m1/s1",FDCFKLBIAIKUKB-GKROBHDKSA-N
DB03275,74401-72-2,Cysteinamide,experimental,,,,,,CY3,,,,,,,6540253,N[C@@H](CS)C(N)=O,"InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1",YEDNBEGNKOANMB-REOHCLBHSA-N
DB03276,,"4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid",experimental,,,,,,DTF,,ZINC000029552795,CHEMBL291678,50102025,,,657098,NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@H](CNC1=O)CC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)CP(O)(O)=O,"InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1",RHYFMOCFCFUTNH-GZNVFMSSSA-N
DB03277,,alpha-maltotriose,experimental,,,,,,,,ZINC000006920404,CHEMBL1234363,,,27931,192826,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1",FYGDTMLNYKFZSV-PXXRMHSHSA-N
DB03278,,D-Treitol,experimental,,,,,,DTL,,ZINC000000895271,,,,42090,445969,OC[C@H](O)[C@@H](O)CO,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1",UNXHWFMMPAWVPI-IMJSIDKUSA-N
DB03279,,Dodecyl-Alpha-D-Maltoside,experimental,,,,,,LMU,,ZINC000014253923,CHEMBL1234048,,,,445456,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OCCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O,"InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-/m1/s1",NLEBIOOXCVAHBD-YHBSTRCHSA-N
DB03280,,p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate,experimental,,,,,,T5A,,ZINC000169331553,CHEMBL1236157,50366828,,,447202,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)N4C=C(C)C(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C20H30N7O23P5/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(45-12)4-43-51(33,34)47-53(37,38)49-55(41,42)50-54(39,40)48-52(35,36)44-5-11-14(29)15(30)19(46-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1",JCFDSPQTEMXXLO-SLFMBYJQSA-N
DB03281,,2'-Deoxymaltose,experimental,,,,,,,,ZINC000013543594,,,,,17753954,[H][C@@]1(O)C[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(CO)O1,"InChI=1S/C12H22O10/c13-2-5-8(17)9(18)10(19)12(21-5)22-11-4(15)1-7(16)20-6(11)3-14/h4-19H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11+,12-/m1/s1",FDCIWBIYHZDLEG-AEEGTDTOSA-N
DB03283,13224-93-6,beta-L-fucose,experimental,,,,,,FUL,,ZINC000001532813,,,,42589,444863,C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1",SHZGCJCMOBCMKK-KGJVWPDLSA-N
DB03284,,"2,6-Anhydro-3-Deoxy-D-Erythro-Hex-2-Enonic Acid",experimental,,,,,,GAD,,,,,,,5288331,[H][C@]1(O)COC(=C[C@]1([H])O)C(O)=O,"InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1",GQECVRZDTXJRPX-IMJSIDKUSA-N
DB03285,961-29-5,Isoliquiritigenin,experimental,,,,,,HCC,,ZINC000003869608,CHEMBL129795,50042944,,310312,638278,OC1=CC=C(\C=C\C(=O)C2=C(O)C=C(O)C=C2)C=C1,"InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+",DXDRHHKMWQZJHT-FPYGCLRLSA-N
DB03286,,C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide,experimental,,,,,,CGF,,,,,,,131704237,[H]C(N)(O)[C@]1(O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N=[N+]=[N-],"InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1",LAKOUYZWWLMCSL-JBFGQTLDSA-N
DB03287,,4-(2-Amino-Ethoxy)-2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-but-3-Enoic Acid,experimental,,,,,,PPG,,ZINC000098209316,,,,,,[H]\C(OCCN)=C(\[H])/C(=N\CC1=C(COP(O)(O)=O)C=NC(C)=C1O)/C(O)=O,"InChI=1S/C14H20N3O8P/c1-9-13(18)11(10(6-16-9)8-25-26(21,22)23)7-17-12(14(19)20)2-4-24-5-3-15/h2,4,6,18H,3,5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+,17-12+",OBCQKAZQAHYUOZ-CALQLVRRSA-N
DB03288,,5-Chloro-1h-Indole-2-Carboxylic Acid{[Cyclopentyl-(2-Hydroxy-Ethyl)-Carbamoyl]-Methyl}-Amide,experimental,,,,,,288,,ZINC000053683779,,,,,46936633,[H][C@@](O)(CNC(=O)C1=CC2=CC(Cl)=CC=C2N1)N(CCO)C1CCCC1,"InChI=1S/C18H24ClN3O3/c19-13-5-6-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(7-8-23)14-3-1-2-4-14/h5-6,9-10,14,17,21,23-24H,1-4,7-8,11H2,(H,20,25)/t17-/m1/s1",VXABTOCIIZSEPD-QGZVFWFLSA-N
DB03289,,Thiarsa Dihydroxy Cysteine,experimental,,,,,,CZ2,,,,,,,49866861,[H][C@](N)(CS[As](O)O)C(O)=O,"InChI=1S/C3H8AsNO4S/c5-2(3(6)7)1-10-4(8)9/h2,8-9H,1,5H2,(H,6,7)/t2-/m0/s1",FZFDBYKEUGDOOP-REOHCLBHSA-N
DB03290,,L-naphthyl-1-acetamido boronic acid alanine,experimental,,,,,,SBL,,ZINC000195788553,,,,,17754159,CC(=O)N[C@@H](CC1=CC=CC2=CC=CC=C12)[B-](O)(O)OC[C@H](N)C(O)=O,"InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16-/m0/s1",KJSNEFAXFLDDDR-HOTGVXAUSA-N
DB03291,,4-Deoxy-4-Amino-Beta-D-Glucose,experimental,,,,,,GDA,,,,,,,17753995,[H][C@]1(N)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)O[C@]1([H])CO,"InChI=1S/C6H13NO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1",BXZVZSSSRTUQJP-DVKNGEFBSA-N
DB03292,128241-72-5,3-Phosphono-D-alanine,experimental,,,,,,APO,,ZINC000003873029,CHEMBL1231023,,,,446873,[H][C@@](N)(CP(O)(O)=O)C(O)=O,"InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",LBTABPSJONFLPO-UWTATZPHSA-N
DB03293,,9-Methyl Uric Acid,experimental,,,,,,MUA,,ZINC000002584391,CHEMBL34921,,,192169,108714,CN1C(=O)NC2=C1NC(=O)NC2=O,"InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)",XJEJWDFDVPDMAS-UHFFFAOYSA-N
DB03294,,"1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide",experimental,,,,,,SG2,,,CHEMBL334167,13072,,,1387,CN1SC(=O)C2=CC(=CC=C12)S(N)(=O)=O,"InChI=1S/C8H8N2O3S2/c1-10-7-3-2-5(15(9,12)13)4-6(7)8(11)14-10/h2-4H,1H3,(H2,9,12,13)",DFPYCCVFXMWMJM-UHFFFAOYSA-N
DB03295,33932-35-3,Glutathionylspermidine,experimental,,,,,,TS5,,ZINC000003869959,,,,16613,440772,NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O,"InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1",NEDQLXHBVHSKNV-STQMWFEESA-N
DB03296,64839-32-3,3'-beta-Sialyl-beta-lactose,experimental,,,,,,,,ZINC000024715351,,,,45660,448469,[H]N([C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(O[C@@]1([H])[C@H](O)[C@H](O)CO)C(O)=O)C(C)=O,"InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20-,21-,23-/m0/s1",CILYIEBUXJIHCO-LPTWSRJFSA-N
DB03297,100-87-8,Benzylsulfonic acid,experimental,,,,,,PMS,,ZINC000001593155,CHEMBL1171433,,,,7532,OS(=O)(=O)CC1=CC=CC=C1,"InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)",NIXKBAZVOQAHGC-UHFFFAOYSA-N
DB03298,701-64-4,Phenylphosphate,experimental,,,,,,HPS,,ZINC000001529512,CHEMBL26128,14675,,37548,12793,OP(O)(=O)OC1=CC=CC=C1,"InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",CMPQUABWPXYYSH-UHFFFAOYSA-N
DB03299,,N-Succinyl Phenylglycine,experimental,,,,,,NPG,,,,,,,448582,[H][C@](NC(=O)CCC(O)=O)(C(O)=O)C1=CC=CC=C1,"InChI=1S/C12H13NO5/c14-9(6-7-10(15)16)13-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t11-/m1/s1",GQFHIYFXQQEWME-LLVKDONJSA-N
DB03300,,Pterin Cytosine Dinucleotide,experimental,,,,,,MCN,,ZINC000195757082,,,,43955,135461000,[H][C@]12NC3=C(N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)O2)C(=O)NC(N)=N3,"InChI=1S/C19H26N8O13P2S2/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30)/t5-,6-,8+,10-,11-,16-,17-/m1/s1",WKSPNQYEWZEMMI-FEFZDOOUSA-N
DB03301,,2-Allyl-6-Methyl-Phenol,experimental,,,,,,LYL,,ZINC000001690121,,,,,76883,CC1=CC=CC(CC=C)=C1O,"InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3",WREVCRYZAWNLRZ-UHFFFAOYSA-N
DB03302,,"4,5,6,7-Tetrachloro-3h-Isobenzofuran-1-One",experimental,,,,,,PHH,,ZINC000002012697,CHEMBL357452,,,47617,33791,ClC1=C2COC(=O)C2=C(Cl)C(Cl)=C1Cl,InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2,NMWKWBPNKPGATC-UHFFFAOYSA-N
DB03303,29625-79-4,3-deoxy-D-arabino-hexonic acid,experimental,,,,,,SSH,,ZINC000004803503,,,,45626,152990,OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O,"InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1",YGMNHEPVTNXLLS-VAYJURFESA-N
DB03304,,7-Deaza-7-Aminomethyl-Guanine,experimental,,,,,,PRF,,ZINC000003869370,CHEMBL1235432,,,45126,135398563,NCC1=CNC2=C1C(=O)NC(N)=N2,"InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)",MEYMBLGOKYDGLZ-UHFFFAOYSA-N
DB03305,36889-13-1,N(G)-Iminoethylornithine,experimental,,,,,,ILO,,ZINC000001886324,CHEMBL11471,152697,,192723,107984,CC(=N)NCCC[C@H](N)C(O)=O,"InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1",UYZFAUAYFLEHRC-LURJTMIESA-N
DB03306,,RU78300,experimental,,,,,,300,,ZINC000012503432,CHEMBL25186,14679,,,5287488,COC1=CC=CC(C=O)=C1OP(O)(O)=O,"InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)",CGEZBCISRKFHLZ-UHFFFAOYSA-N
DB03307,,4-[(6-Amino-4-Pyrimidinyl)Amino]Benzenesulfonamide,experimental,,,,,,U55,,ZINC000000394592,CHEMBL265964,50503351,,,2608,NC1=NC=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=C1,"InChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)",FVFVVRPJERUECT-UHFFFAOYSA-N
DB03308,,L-Leucyl-Hydroxylamine,experimental,,,,,,LNO,,ZINC000002522572,CHEMBL303296,50129202,,,3080766,CC(C)C[C@H](N)C(=O)NO,"InChI=1S/C6H14N2O2/c1-4(2)3-5(7)6(9)8-10/h4-5,10H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",UJJHPFLWSVFLBE-YFKPBYRVSA-N
DB03309,103-47-9,N-cyclohexyltaurine,experimental,,,,2049985,,NHE,,ZINC000001710230,,,,44302,3852474,OS(=O)(=O)CCNC1CCCCC1,"InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)",MKWKNSIESPFAQN-UHFFFAOYSA-N
DB03310,27025-41-8,Glutathione disulfide,"['experimental', 'approved', 'investigational']",,,D00031,25953,,GDS,5130,ZINC000003870129,CHEMBL1372,225231,GLUTATHIONE DISULFIDE,17858,65359,N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1",YPZRWBKMTBYPTK-BJDJZHNGSA-N
DB03311,,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide",experimental,,,,,,FRJ,,ZINC000095544211,CHEMBL1232829,50341989,,,448662,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,"InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31)",SXKBTDJJEQQEGE-UHFFFAOYSA-N
DB03312,69304-47-8,Brivudine,"['approved', 'investigational']",,J05AB15,,59161,,BVD,397,ZINC000003653378,CHEMBL31634,,RP101,,446727,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O,"InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1",ODZBBRURCPAEIQ-PIXDULNESA-N
DB03313,61-24-5,Cephalosporin C,experimental,,,,,,CSC,,ZINC000003977881,CHEMBL482858,,,15776,65536,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O,"InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1",HOKIDJSKDBPKTQ-GLXFQSAKSA-N
DB03314,16626-02-1,5-fluorotryptophan,experimental,,,,,,FTR,,ZINC000000057156,CHEMBL559973,,,,688357,N[C@@H](CC1=CNC2=C1C=C(F)C=C2)C(O)=O,"InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1",INPQIVHQSQUEAJ-VIFPVBQESA-N
DB03315,117-68-0,Guanosine 3'-monophosphate,experimental,,,,,,3GP,,ZINC000004807333,,,,28072,135398727,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)C(=O)N1,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",ZDPUTNZENXVHJC-UUOKFMHZSA-N
DB03316,123-91-1,"1,4-Dioxane",experimental,,,,,,DIO,,ZINC000001648204,CHEMBL453716,,,47032,31275,C1COCCO1,InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,RYHBNJHYFVUHQT-UHFFFAOYSA-N
DB03317,26598-29-8,Ferroheme C,experimental,,,,,,HEC,,,,,,60562,,CC(S)C1=C2C=C3C(C)=C(C(C)S)C4=[N+]3[Fe--]35N6C(=C4)C(C)=C(CCC(O)=O)C6=CC4=[N+]3C(=CC(N25)=C1C)C(C)=C4CCC(O)=O,"InChI=1S/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;",XSWPXBWSKQRBRZ-IDTMDVKXSA-L
DB03318,,6-Hydro-1-Methyladenosine-5'-Monophosphate,experimental,,,,,,1MA,,,,,,,,[H]N=C1N(C)C=NC2=C1N=CN2[C@]1([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9+/t5-,7-,8-,11-/m1/s1",BKBYKEWNXKDACS-KYBGKHJCSA-N
DB03319,,"(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate",experimental,,,,,,CE2,,,,,,,5287901,[H][C@](N)(CC1=C(ON=C1[O-])C(C)(C)C)C(O)=O,"InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/p-1/t6-/m0/s1",PIXJURSCCVBKRF-LURJTMIESA-M
DB03320,,3-Amino-Alanine,experimental,,,,,,DNP,,,,,,84374,17753953,N[C@@H](C[NH3+])C(O)=O,"InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+1/t2-/m0/s1",PECYZEOJVXMISF-REOHCLBHSA-O
DB03321,130525-62-1,Des(carbamimidoyl) zanamivir,experimental,,,,,,4AM,,ZINC000005884083,CHEMBL52270,50063303,,,445533,[H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1",NKENBBIXEGPQLS-UFGQHTETSA-N
DB03322,5051-22-9,Dexpropranolol,experimental,,,,,,SNP,,ZINC000000020240,CHEMBL275742,60973,AY-20694,8736,21138,CC(C)NC[C@@H](O)COC1=CC=CC2=C1C=CC=C2,"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1",AQHHHDLHHXJYJD-CQSZACIVSA-N
DB03323,69-79-4,Maltose,"['experimental', 'investigational']",,,D00044,1311261,,,1628,,,,,17306,439186,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1",GUBGYTABKSRVRQ-PICCSMPSSA-N
DB03325,,Tyrosyladenylate,experimental,,,,,,YSA,,ZINC000016052371,CHEMBL1163085,50458121,,,449029,[H]N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],"InChI=1S/C19H23N7O8S/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1",MJZAZMKENKZBAJ-QTOWJTHWSA-N
DB03326,52474-59-6,"Deoxycytidylyl-3',5'-guanosine",experimental,,,,,,CGP,,,,,,,135678081,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OC2CC(OC2CO)N2C=CC(N)=NC2=O)O1,"InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9?,10?,11+,13+,14?/m0/s1",OBCJQWSXSLYWHI-GVKYBDNRSA-N
DB03327,,{1-[(3-Hydroxy-Methyl-5-Phosphonooxy-Methyl-Pyridin-4-Ylmethyl)-Amino]-Ethyl}-Phosphonic Acid,experimental,,,,,,IN5,,ZINC000002047885,,,,,444528,[H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)P(O)(O)=O,"InChI=1S/C10H18N2O8P2/c1-6-10(13)9(4-12-7(2)21(14,15)16)8(3-11-6)5-20-22(17,18)19/h3,7,12-13H,4-5H2,1-2H3,(H2,14,15,16)(H2,17,18,19)/t7-/m1/s1",WHDCJKAOZPBUAY-SSDOTTSWSA-N
DB03328,,Dioxo(sulfanyl)molybdenum,experimental,,,,,,MOS,,,,,,47566,,S[Mo](=O)=O,InChI=1S/Mo.2O.H2S/h;;;1H2/q+1;;;/p-1,BDSRWPHSAKXXRG-UHFFFAOYSA-M
DB03329,73018-10-7,2-Pyridinethiol,experimental,,,,,,PYS,,ZINC000000403023,CHEMBL1235541,,,45223,2723698,SC1=NC=CC=C1,"InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",WHMDPDGBKYUEMW-UHFFFAOYSA-N
DB03330,,S-(N-hydroxy-N-iodophenylcarbamoyl)glutathione,experimental,,,,,,GIP,,ZINC000014880713,,,,,17753999,N[C@@H](CCC(=O)N[C@@H](CS[C@@H](O)N(O)C1=CC=C(I)C=C1)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C17H23IN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17+/m0/s1",SCHAHXXLASZJCD-NVGCLXPQSA-N
DB03331,,"N-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine",experimental,,,,,,NMD,,ZINC000026189382,CHEMBL303934,50100471,,,446186,[H]N(CC1=CC=CC2=CC=CC=C12)C1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N([H])C(=O)C3=CC(OC)=CC(OC)=C3)C2=NC=N1,"InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1",OARVXDFNTLYMCJ-JVUUKAHWSA-N
DB03332,,"5,6-Cyclic-Tetrahydropteridine",experimental,,,,,,AP4,,ZINC000012503472,,,,,135509077,NC1=NC2=C(N3[C@@H](COC3=O)CN2)C(=O)N1,"InChI=1S/C8H9N5O3/c9-7-11-5-4(6(14)12-7)13-3(1-10-5)2-16-8(13)15/h3H,1-2H2,(H4,9,10,11,12,14)/t3-/m1/s1",XAZOBOCYEGBXHD-GSVOUGTGSA-N
DB03333,,(4-sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-yl-ethyl) ester,experimental,,,,,,SUA,,ZINC000038377569,,,,,17754181,NS(=O)(=O)C1=CC=C(NC(=S)OCCC2=CSC=C2)C=C1,"InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)",NXMUSVRWCFYOTJ-UHFFFAOYSA-N
DB03335,16088-60-1,(+)-1-bromo-2-propanol,experimental,,,,,,EBH,,ZINC000003861677,,,,,641237,C[C@H](O)CBr,"InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1",WEGOLYBUWCMMMY-VKHMYHEASA-N
DB03336,,BIA,experimental,,,,,,BIA,,ZINC000003975390,CHEMBL387347,,,,4369285,OC1=CC(=CC(=C1O)[N+]([O-])=O)C(=O)CCN1CCN(CC1)C1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2",KVIVJQWOYSWCCZ-UHFFFAOYSA-N
DB03337,,1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea,experimental,,,,,,GP8,,ZINC000000009048,CHEMBL1233097,50514490,,,444581,NC(=N)C1=CC=C(NC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1,"InChI=1S/C20H18N4O2/c21-19(22)14-6-8-15(9-7-14)23-20(25)24-16-10-12-18(13-11-16)26-17-4-2-1-3-5-17/h1-13H,(H3,21,22)(H2,23,24,25)",ZHCAYBOLUMAUQX-UHFFFAOYSA-N
DB03338,78617-12-6,Heptyl glucoside,experimental,,,,2462498,,B7G,,ZINC000048016017,,,,,448173,CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1",NIDYWHLDTIVRJT-UJPOAAIJSA-N
DB03339,,3-Iodo-Benzyl Alcohol,experimental,,,,,,IOB,,ZINC000000406922,,,,,42300,OCC1=CC=CC(I)=C1,"InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2",QGCCNWSXJHGUNL-UHFFFAOYSA-N
DB03340,,3-[(1-Amino-2-Carboxy-Ethyl)-Hydroxy-Phosphinoyl]-2-Methyl-Propionic Acid,experimental,,,,,,AEP,,ZINC000002047801,,,,,446920,[H][C@@](C)(CP(O)(=O)[C@@]([H])(N)CC(O)=O)C(O)=O,"InChI=1S/C7H14NO6P/c1-4(7(11)12)3-15(13,14)5(8)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m1/s1",NJOTXUMMTTYQMQ-RFZPGFLSSA-N
DB03341,,CoA-S-acetyl 5-bromotryptamine,experimental,,,,,,CA5,,,,,,,446811,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)N([H])CCC4=CN([H])C5=C4C=C(Br)C=C5)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C33H47BrN9O17P3S/c1-33(2,28(47)31(48)38-8-6-23(44)37-9-10-64-14-24(45)36-7-5-18-12-39-21-4-3-19(34)11-20(18)21)15-57-63(54,55)60-62(52,53)56-13-22-27(59-61(49,50)51)26(46)32(58-22)43-17-42-25-29(35)40-16-41-30(25)43/h3-4,11-12,16-17,22,26-28,32,39,46-47H,5-10,13-15H2,1-2H3,(H,36,45)(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,35,40,41)(H2,49,50,51)/t22-,26-,27-,28+,32-/m1/s1",BBDVCGJBELWXIQ-GMHMEAMDSA-N
DB03342,,4-(Acetylamino)-3-Guanidinobenzoic Acid,experimental,,,,,,ST4,,ZINC000019328706,,,,,3364666,CC(=O)NC1=CC=C(C=C1NC(N)N)C(O)=O,"InChI=1S/C10H14N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4,10,14H,11-12H2,1H3,(H,13,15)(H,16,17)",HIXHCUDMJUERSJ-UHFFFAOYSA-N
DB03343,,Malate Like Intermediate,experimental,,,,,,TEO,,,,,,,5289457,O[C@H](\C=C(/O)[O-])C([O-])=O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1",QFBHYOKSQPPXHZ-UWTATZPHSA-L
DB03344,,"Inositol-(1,3,4,5,6)-Pentakisphosphate",experimental,,,,,,I5P,,ZINC000253803467,,,,,,[H][C@]1(O)[C@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)[C@@]1([H])OP(O)(O)=O,"InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5+,6+/m0/s1",CTPQAXVNYGZUAJ-ADOSBGCESA-N
DB03345,60-24-2,Mercaptoethanol,experimental,,,,,,BME,,ZINC000008216595,CHEMBL254951,7971,,41218,1567,OCCS,"InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2",DGVVWUTYPXICAM-UHFFFAOYSA-N
DB03346,13049-13-3,"3,3',5,5'-tetrachlorobiphenyl-4,4'-diol",experimental,,,,,,PCQ,,ZINC000000294550,CHEMBL83116,50410534,,35434,97032,OC1=C(Cl)C=C(C=C1Cl)C1=CC(Cl)=C(O)C(Cl)=C1,"InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H",YCYDXOVJXVALHY-UHFFFAOYSA-N
DB03347,78-40-0,Triethyl phosphate,experimental,,,,,,TEN,,ZINC000001641077,CHEMBL1236251,,,45927,6535,CCOP(=O)(OCC)OCC,"InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",DQWPFSLDHJDLRL-UHFFFAOYSA-N
DB03348,103548-82-9,Huperzine B,investigational,"['17126020', '15664805', '10996445']",,,,,HUB,,ZINC000003872828,CHEMBL245079,50199518,,5770,5462442,[H][C@]12CCCN[C@]11CC(C)=C[C@H]2CC2=C1C=CC(=O)N2,"InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1",YYWGABLTRMRUIT-HWWQOWPSSA-N
DB03349,,8-Bromo-Adenosine-5'-Monophosphate,experimental,,,,,,8BR,,ZINC000013527361,CHEMBL1230617,50222467,,,168120,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1",DNPIJKNXFSPNNY-UUOKFMHZSA-N
DB03350,,Cobalt hexammine ion,experimental,,,,,,NCO,,,,,,30027,6102370,[NH3+][Co-3]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+],InChI=1S/Co.6H3N/h;6*1H3/q+3;;;;;;,DYLMFCCYOUSRTK-UHFFFAOYSA-N
DB03351,,Sri-9439,experimental,,,,,,LIH,,ZINC000012503486,CHEMBL151958,50107995,,,446752,CC1=C(CNC2=CC=CC3=NC=CC=C23)C=NC2=NC(N)=NC(N)=C12,"InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)",KMSATRJZEXNGDP-UHFFFAOYSA-N
DB03352,,S-Arsonocysteine,experimental,,,,,,CSR,,,,,,,17753924,N[C@@H](CS[As](O)(O)=O)C(O)=O,"InChI=1S/C3H8AsNO5S/c5-2(3(6)7)1-11-4(8,9)10/h2H,1,5H2,(H,6,7)(H2,8,9,10)/t2-/m0/s1",XSWAJYRRDHPZDP-REOHCLBHSA-N
DB03353,13395-35-2,2-Iminobiotin,"['experimental', 'investigational']",,,,,,IMI,,ZINC000012503488,CHEMBL1233598,,2-IMINOBIOTIN,,128878,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])N=C(N)N2,"InChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1",WWVANQJRLPIHNS-ZKWXMUAHSA-N
DB03354,,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Oxadiazole",experimental,,,,,,OX2,,ZINC000016051658,CHEMBL540929,50295847,,44722,657043,[H][C@]1(CO)O[C@@]([H])(C2=NN=C(C)O2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C9H14N2O6/c1-3-10-11-9(16-3)8-7(15)6(14)5(13)4(2-12)17-8/h4-8,12-15H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1",HCSFWJQLIPWUFZ-JAJWTYFOSA-N
DB03355,,5'-O-(L-Threonylsulfamoyl)adenosine,experimental,,,,,,TSB,,ZINC000015524571,CHEMBL1163068,50366646,,,445439,[H]N([H])[C@@H]([C@@H](C)O)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],"InChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,9-,10-,14-/m1/s1",UPVAPSGKXAAHBG-CKTDUXNWSA-N
DB03357,17199-29-0,(S)-Mandelic acid,experimental,,,,,,SMN,,ZINC000000000036,CHEMBL58910,16420,,32800,439616,O[C@H](C(O)=O)C1=CC=CC=C1,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1",IWYDHOAUDWTVEP-ZETCQYMHSA-N
DB03358,,"7-Methyl-7,8-dihydroguanosine 5'-(tetrahydrogen triphosphate)",experimental,,,,,,MGT,,ZINC000036753028,CHEMBL1234306,,,,135486126,[H]N([H])C1=NC(=O)C2=C(N1[H])N(CN2C)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1",BUJQMJUTTBGELS-KQYNXXCUSA-N
DB03359,,"M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene",experimental,,,,,,NAF,,ZINC000003873189,,,,44394,3991,C[N+](C)(C)C1=CC=CC(=C1)C(O)(O)C(F)(F)F,"InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1",KGVDBJQLTHWAJF-UHFFFAOYSA-N
DB03360,68-95-1,N-Acetylproline,experimental,,,,,,N7P,,ZINC000000119664,CHEMBL1234599,,,21560,66141,[H][C@]1(CCCN1C(C)=O)C(O)=O,"InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1",GNMSLDIYJOSUSW-LURJTMIESA-N
DB03361,,"2-{(9as)-9a-[(1s)-1-Hydroxyethyl]-2,7-Dimethyl-9a,10-Dihydro-5h-Pyrimido[4,5-D][1,3]Thiazolo[3,2-a]Pyrimidin-8-Yl}Ethyl Trihydrogen Diphosphate",experimental,,,,,,HE3,,ZINC000012503512,,,,43195,447750,[H][C@@](C)(O)[C@]12NC3=NC(C)=NC=C3CN1C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S2,"InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)17-13-11(7-18(8)14)6-15-10(3)16-13/h6,9,19H,4-5,7H2,1-3H3,(H,23,24)(H,15,16,17)(H2,20,21,22)/t9-,14-/m0/s1",UQFVHIGKDHNMJT-XPTSAGLGSA-N
DB03362,,N-Dimethyl-Lysine,experimental,,,,,,MLY,,ZINC000002579066,,,,43997,193344,[H][C@](N)(CCCCN(C)C)C(O)=O,"InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1",XXEWFEBMSGLYBY-ZETCQYMHSA-N
DB03363,,3-Acetylpyridine Adenine Dinucleotide,experimental,,,,,,A3D,,,,,,166857,131704240,[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C(C)=O)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1",KPVQNXLUPNWQHM-RBEMOOQDSA-N
DB03364,,N-Carbamyl-D-Methionine,experimental,,,,,,CDT,,ZINC000002087309,,,,137948,448878,CSCC[C@@H](NC(N)=O)C(O)=O,"InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1",DEWDMTSMCKXBNP-SCSAIBSYSA-N
DB03365,,"4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline",experimental,,,,,,DTQ,,ZINC000003828650,CHEMBL127907,4622,,,5687,COC1=CC2=NC=NC(NC3=CC(O)=CC=C3)=C2C=C1OC,"InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)",BNDYIYYKEIXHNK-UHFFFAOYSA-N
DB03366,288-32-4,Imidazole,"['experimental', 'investigational']",,,,,,IMD,,ZINC000000901039,CHEMBL540,7882,,16069,795,N1C=CN=C1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",RAXXELZNTBOGNW-UHFFFAOYSA-N
DB03367,766536-21-4,PF-00356231,experimental,,,,,,PF3,,ZINC000006744035,CHEMBL508461,50264813,,,448942,[H][C@](CC(O)=O)(NC(=O)C1=CC(=CS1)C1=CC=C(C=C1)C1=CC=NC=C1)C1=CC=CC=C1,"InChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1",VMTJQZUZINLEKC-JOCHJYFZSA-N
DB03368,,"5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione",experimental,,,,,,HQQ,,,CHEMBL176467,50099118,,43179,1836,CC1(C(=O)NC(=O)NC1=O)C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)",RTBMLCLTYAPKIF-UHFFFAOYSA-N
DB03369,947-73-9,9-Aminophenanthrene,experimental,,,,,,9AP,,ZINC000001509324,CHEMBL83088,,,50475,13695,NC1=CC2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2",KIHQWOBUUIPWAN-UHFFFAOYSA-N
DB03370,,FR239087,experimental,,,,,,FR7,,ZINC000000025432,CHEMBL328139,22949,,,449014,[H][C@@](C)(O)[C@@]([H])(CCC1=CC=CC(Cl)=C1Cl)N1C=NC(=C1)C(N)=O,"InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1",HCJYSIGJDKNVRU-TVQRCGJNSA-N
DB03371,,Modified Ribosylated Glutamyl Ester,experimental,,,,,,,,,,,,,131704241,[H][C@](N)(CCC(=O)O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]1(O)F)C(O)=O,"InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1",DAZJIIGIBQQBAL-WLUSSPCKSA-N
DB03372,,"3-Mercapto-1-(1,3,4,9-Tetrahydro-B-Carbolin-2-Yl)-Propan-1-One",experimental,,,,,,MHC,,ZINC000005889667,,,,,447329,SCCC(=O)N1CCC2=C(C1)NC1=C2C=CC=C1,"InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2",UGWLHSPOMCORRH-UHFFFAOYSA-N
DB03373,,ZK-806711,experimental,,,,,,711,,,,,,,,[H]N=C(C)N1CCC(CC1)OC1=CC2=C(C=C1)N=C(C)N2CC1=CC2=C(C=C1)C=CC(=C2)C(N)=[NH2+],"InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)/p+1/b28-17-",JABMRQOJSAZJAD-QRQIAZFYSA-O
DB03374,300-39-0,"3,5-Diiodotyrosine",experimental,,,,,,TYI,3146,ZINC000003861723,CHEMBL1236469,,,15768,9305,[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O,"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1",NYPYHUZRZVSYKL-ZETCQYMHSA-N
DB03376,112921-04-7,5'-O-(N-(Alanyl)sulfamoyl)adenosine,experimental,,,,,,A5A,,,CHEMBL1163065,50197291,,,196672,[H]N([H])[C@@H](C)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],"InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1",CWWYMWDIYBJVLP-YTMOPEAISA-N
DB03378,,"4-Amino-1-[(1s,3r,4r,7s)-7-Hydroxy-1-(Hydroxymethyl)-2,5-Dioxabicyclo[2.2.1]Hept-3-Yl]-5-Methylpyrimidin-2(1h)-One",experimental,,,,,,,,,,,,,,,,
DB03379,,2-Carboxyethylphosphonic Acid,experimental,,,,,,3PP,,ZINC000002008858,CHEMBL1088324,50311531,,,1682,OC(=O)CCP(O)(O)=O,"InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)",NLBSQHGCGGFVJW-UHFFFAOYSA-N
DB03380,4985-46-0,L-tyrosinamide,experimental,,,,,,TYC,,ZINC000004899513,,,,21412,151243,[H][C@](N)(CC1=CC=C(O)C=C1)C(N)=O,"InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1",PQFMNVGMJJMLAE-QMMMGPOBSA-N
DB03381,629-80-1,Hexadecanal,experimental,,,,,,,,ZINC000008216082,CHEMBL1235338,,,17600,984,CCCCCCCCCCCCCCCC=O,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",NIOYUNMRJMEDGI-UHFFFAOYSA-N
DB03382,,S-oxy-L-cysteine,experimental,,,,,,CSX,,,,,,41630,,[H][C@](N)(CS=O)C(O)=O,"InChI=1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,8H,1,4H2,(H,5,6)/t2-/m0/s1",BHLMCOCHAVMHLD-REOHCLBHSA-N
DB03383,186430-23-9,CP-320626,experimental,,,,,,CHI,,,CHEMBL99889,35346,,,444746,OC1CCN(CC1)C(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,"InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1",YDCGVASFVACWKF-NRFANRHFSA-N
DB03384,,Fica,experimental,,,,,,FXN,,ZINC000005889384,,,,,448573,FC1=CC2=C(NC(=C2)C(=O)NCCS)C=C1,"InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15)",JFUIHGAGFMFNRD-UHFFFAOYSA-N
DB03385,822-36-6,4-Methylimidazole,experimental,,,,,,4MZ,,ZINC000008283845,CHEMBL1230309,50538684,,40035,13195,CC1=CNC=N1,"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)",XLSZMDLNRCVEIJ-UHFFFAOYSA-N
DB03386,,4-Fluorotryptophane,experimental,,,,,,4FW,,ZINC000000057328,,,,,25272413,N[C@@H](CC1=CNC2=C1C(F)=CC=C2)C(O)=O,"InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1",DEBQMEYEKKWIKC-QMMMGPOBSA-N
DB03387,,N-Hydroxy-N-Isopropyloxamic Acid,experimental,,,,,,HIO,,ZINC000005298708,CHEMBL1233331,,,,73284,CC(C)N(O)C(=O)C(O)=O,"InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)",QVIOSGUKMDGWNN-UHFFFAOYSA-N
DB03388,,"3-[(2,4-Dichlorobenzoyl)(Isopropyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid",experimental,,,,,,JPC,,ZINC000012503546,CHEMBL355048,50139683,,,657065,CC(C)N(C(=O)C1=C(Cl)C=C(Cl)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C21H17Cl2NO3S/c1-12(2)24(20(25)15-9-8-14(22)10-16(15)23)17-11-18(28-19(17)21(26)27)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,26,27)",UKNZREOUDLFUFF-UHFFFAOYSA-N
DB03389,,alpha-D-Xylopyranose,experimental,,,,,,XYS,,ZINC000001529214,,,,28518,6027,O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1",SRBFZHDQGSBBOR-LECHCGJUSA-N
DB03390,,"(2R,3R)-2,3-Dihydroxy-4-oxo-4-(propylamino)butanoic acid",experimental,,,,,,PT3,,ZINC000002043169,,,,,449346,[H]N(CCC)C(=O)[C@H](O)[C@@H](O)C(O)=O,"InChI=1S/C7H13NO5/c1-2-3-8-6(11)4(9)5(10)7(12)13/h4-5,9-10H,2-3H2,1H3,(H,8,11)(H,12,13)/t4-,5-/m1/s1",LNEZKQHJUNIZIS-RFZPGFLSSA-N
DB03391,,Chromophore (Met-Tyr-Gly),experimental,,,,,,CH6,,ZINC000058631502,,,,,49866789,[H]\C(=C1\N=C(N(CC(O)=O)C1=O)[C@@]([H])(N)CCSC)C1=CC=C(O)C=C1,"InChI=1S/C16H19N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,12,20H,6-7,9,17H2,1H3,(H,21,22)/b13-8-/t12-/m0/s1",NRAOUAPLRQEFMH-OEMOTLHWSA-N
DB03392,,"(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yl)-Phosphoramidic Acid Dimethyl Ester",experimental,,,,,,GL6,,ZINC000016051653,CHEMBL1233057,50363874,,,656959,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(NP(=O)(OC)OC)[C@]1([H])O,"InChI=1S/C8H18NO8P/c1-15-18(14,16-2)9-8-7(13)6(12)5(11)4(3-10)17-8/h4-8,10-13H,3H2,1-2H3,(H,9,14)/t4-,5-,6+,7-,8-/m1/s1",LJBUJRWZZYUNKX-JAJWTYFOSA-N
DB03393,,Sanglifehrin A,experimental,,,,,,SFA,,,CHEMBL410807,50218665,,,5388925,[H][C@@]12CCCN(N1)C(=O)[C@H](CC1=CC(O)=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C,"InChI=1S/C60H91N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h12-13,15-18,21-23,25,31,34-35,37,39-41,43,45-54,64,67-71H,11,14,19-20,24,26-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/b15-12+,17-13+,25-16+,36-21+/t35-,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1",ONJZYZYZIKTIEG-CFBQITSMSA-N
DB03394,5617-32-3,Heptaethylene glycol,experimental,,,,,,P33,,ZINC000005178829,,,,44748,79718,OCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2",XPJRQAIZZQMSCM-UHFFFAOYSA-N
DB03395,113082-98-7,Enalkiren,experimental,1705633,,D03738,,,,,ZINC000003920420,CHEMBL300337,50006202,,4787,60594,COC1=CC=C(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)C=C1,"InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1",KQXVERRYBYGQJZ-WRPDIKACSA-N
DB03396,,"(2R,3R,4S,5R,6E)-3,4,5-Trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide",experimental,,,,,,TDE,,ZINC000005884811,CHEMBL1236230,,,,448235,[H]N([C@H]1CC[C@@H](O)CN([H])C1=O)C(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C,"InChI=1S/C18H32N2O7/c1-18(2,3)8-7-12(22)13(23)14(24)15(27-4)17(26)20-11-6-5-10(21)9-19-16(11)25/h7-8,10-15,21-24H,5-6,9H2,1-4H3,(H,19,25)(H,20,26)/b8-7+/t10-,11+,12-,13+,14-,15-/m1/s1",FVBBTOIQETYGOA-SDNORSGYSA-N
DB03397,,Uridine-Diphosphate-N-Acetylglucosamine,experimental,,,,,,UD1,,ZINC000008551100,CHEMBL388154,,,16264,445675,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1",LFTYTUAZOPRMMI-CFRASDGPSA-N
DB03399,,Ethyl Isocyanide,experimental,,,,,,ENC,,ZINC000014880747,,,,,4474585,CC[N+]#C,"InChI=1S/C3H6N/c1-3-4-2/h2H,3H2,1H3/q+1",JEGVKBYNUPNGJU-UHFFFAOYSA-N
DB03400,,3-(P-Tolyl)Propionic Acid,experimental,,,,,,PPT,,ZINC000000135745,CHEMBL1235413,,,,73927,CC1=CC=C(CCC(O)=O)C=C1,"InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)",LDYGRLNSOKABMM-UHFFFAOYSA-N
DB03401,85166-31-0,"1D-myo-inositol 1,4,5-trisphosphate",experimental,,,,,,I3P,,ZINC000004095598,CHEMBL279107,50075183,,16595,439456,O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1",MMWCIQZXVOZEGG-XJTPDSDZSA-N
DB03402,,"1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycero-3-Phosphate",experimental,,,,,,L1P,,ZINC000058638721,,,,73131,448151,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@@]([H])(C)CCOC[C@@]([H])(COP(O)(O)=O)OCC[C@]([H])(C)CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C,"InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1",UKQGAMWGTOTQPC-ALOLAALWSA-N
DB03403,63-37-6,Cytidine-5'-Monophosphate,experimental,,,,,,C5P,,ZINC000003861744,CHEMBL307679,50310540,,17361,6131,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",IERHLVCPSMICTF-XVFCMESISA-N
DB03404,16009-13-5,Hemin,"['approved', 'investigational']",,B06AB01,,5175,,,,,,,,,,,,
DB03405,,N2-[(Benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxo-3-pyrrolidinyl]-L-leucinamide,experimental,,,,,,PCM,,ZINC000014096696,,,,,5289122,[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1",GXENQLUSOCKXDN-GMQQYTKMSA-N
DB03406,,O1-Methyl-4-Deoxy-4-Thio-Alpha-D-Glucose,experimental,,,,,,MA3,,ZINC000005888009,,,,,446000,[H][C@@]1(O)[C@@]([H])(O)[C@@]([H])(OC)O[C@]([H])(CO)[C@@]1([H])S,"InChI=1S/C7H14O5S/c1-11-7-5(10)4(9)6(13)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1",PFROTWRHYMLGHR-GKHCUFPYSA-N
DB03407,3316-09-4,4-Nitrocatechol,experimental,,,,,,4NC,,ZINC000034800312,CHEMBL42423,50523949,,16318,3505109,OC1=CC=C(C=C1O)[N+]([O-])=O,"InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H",XJNPNXSISMKQEX-UHFFFAOYSA-N
DB03408,636-58-8,gamma-Glutamylcysteine,experimental,,,,,,3GC,,ZINC000003870040,CHEMBL460831,,,17515,123938,N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O,"InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1",RITKHVBHSGLULN-WHFBIAKZSA-N
DB03409,80875-98-5,L-Octahydroindole-2-carboxylic acid,experimental,,,,,,OIC,,ZINC000004899687,,,,,7408452,[H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(O)=O,"InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1",CQYBNXGHMBNGCG-FXQIFTODSA-N
DB03410,1076-38-6,4-hydroxycoumarin,experimental,,,,,,4HC,,ZINC000018154848,CHEMBL301141,50055710,,40070,54682930,OC1=CC(=O)OC2=CC=CC=C12,"InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H",VXIXUWQIVKSKSA-UHFFFAOYSA-N
DB03411,,"2-Hydroxymethyl-Pyrrolidine-3,4-Diol",experimental,,,,,,EDG,,ZINC000001492251,CHEMBL406973,50375511,,,127716,OC[C@@H]1NC[C@H](O)[C@H]1O,"InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1",OQEBIHBLFRADNM-YUPRTTJUSA-N
DB03412,6033-32-5,6-hydroxynorleucine,experimental,,,,,,LDO,,ZINC000001747033,CHEMBL1233976,,,,97725,N[C@@H](CCCCO)C(O)=O,"InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1",OLUWXTFAPJJWPL-YFKPBYRVSA-N
DB03413,,Deoxyuridine-5'-Diphosphate,experimental,,,,,,DUD,,ZINC000008217150,CHEMBL9519,50179185,,28850,145729,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",QHWZTVCCBMIIKE-SHYZEUOFSA-N
DB03414,,5-Thio-a/B-D-Mannopyranosylamine,experimental,,,,,,LKA,,,,,,,448267,[H][C@]1(N)S[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1",FGVRMLQUWLZGLJ-PQMKYFCFSA-N
DB03415,,3-thiaoctanoyl-CoA,experimental,,,,,,CS8,,ZINC000096068405,,,,41611,448875,CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C28H48N7O17P3S2/c1-4-5-6-10-56-13-19(37)57-11-9-30-18(36)7-8-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1",JMFXDZKFFYUOAN-SVHODSNWSA-N
DB03416,10023-48-0,Thiamine(1+) monophosphate,experimental,,,,,,TPS,,,,,,37574,3382778,CC1=C(CCO[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)",HZSAJDVWZRBGIF-UHFFFAOYSA-N
DB03417,,"(2S,3R)-2-[[4-(Tert-butylcarbamoyl)piperazine-1-carbonyl]amino]-6-(diaminomethylideneamino)-3-formylhexanoic acid",experimental,,,,,,169,,ZINC000012503583,,,,,6323182,[H]N([H])C(=NCCC[C@@H](C=O)[C@H](N([H])C(=O)N1CCN(CC1)C(=O)N([H])C(C)(C)C)C(O)=O)N([H])[H],"InChI=1S/C18H33N7O5/c1-18(2,3)23-17(30)25-9-7-24(8-10-25)16(29)22-13(14(27)28)12(11-26)5-4-6-21-15(19)20/h11-13H,4-10H2,1-3H3,(H,22,29)(H,23,30)(H,27,28)(H4,19,20,21)/t12-,13-/m0/s1",BVNQCAHTTOIOEK-STQMWFEESA-N
DB03418,,Diacetyldeuteroheme,experimental,,,,,,DDH,,,,,,,,CC(=O)C1=C(C)C2=CC3=C(C(O)=C)C(C)=C4C=C5N6C(=CC7=C(CCC(O)=O)C(C)=C8C=C1N2[Fe]6(N78)N34)C(CCC(O)=O)=C5C,"InChI=1S/C34H35N4O6.Fe/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;/h11-14H,5,7-10H2,1-4,6H3,(H6-,35,36,37,38,39,40,41,42,43,44);/q-1;+4/p-3/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;",YTEJZYYPHLALHQ-IDTMDVKXSA-K
DB03419,66-22-8,Uracil,"['experimental', 'investigational']",,,D00027,10995,,URA,,ZINC000000895045,CHEMBL566,,URACIL,17568,1174,O=C1NC=CC(=O)N1,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ISAKRJDGNUQOIC-UHFFFAOYSA-N
DB03420,,"2,4-deoxy-4-guanidino-5-N-acetyl-neuraminic acid",experimental,,,,,,,,ZINC000033821336,,,,,17754002,[H][C@]1(O[C@H](C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h5-10,17,19-20H,2-3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,7+,8+,9+,10+/m0/s1",DAAUVSVERFXBSX-IHICSVBISA-N
DB03421,,"2-Phenethyl-2,3-Dihydro-Phthalazine-1,4-Dione",experimental,,,,,,I06,,,,,,,1584,O=C1NN(CCC2=CC=CC=C2)C(=O)C2=C1C=CC=C2,"InChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)",JSSVIGGKHIJEHO-UHFFFAOYSA-N
DB03422,,"1,3-Thiazole-4-Carboxylic Acid",experimental,,,,,,,,ZINC000001494948,CHEMBL1236484,,,,304271,OC(=O)C1=CSC=N1,"InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)",HMVYYTRDXNKRBQ-UHFFFAOYSA-N
DB03423,,S-Adenosyl-L-Homoselenocysteine,experimental,,,,,,SAI,,,,,,77028,446317,[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O,"InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",UVSMMLABJBJNGH-WFMPWKQPSA-N
DB03424,58970-76-6,Ubenimex,investigational,"['21205077', '16216010', '11465152', '1733647']",,,,,BES,2787,ZINC000001542895,CHEMBL29292,50367209,UBENIMEX,,72172,CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1",VGGGPCQERPFHOB-RDBSUJKOSA-N
DB03425,,"2s,4r-4-Methylglutamate",experimental,,,,,,SYM,,,,,,,131704245,[H][C@@](C)(C[C@]([H])(N)C(O)=O)C([O-])=O,"InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1",KRKRAOXTGDJWNI-DMTCNVIQSA-M
DB03426,,Digalactosyl Diacyl Glycerol (Dgdg),experimental,,,,,,DGD,,ZINC000255225655,,,,,15991538,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(CO[C@]1([H])O[C@]([H])(CO[C@@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C51H96O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h39-41,44-52,55-60H,3-38H2,1-2H3/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1",LDQFLSUQYHBXSX-HXXRYREZSA-N
DB03427,,delta-(L-alpha-Aminoadipoyl)-L-cysteinyl-D-vinylglycine,experimental,,,,,,ASV,,ZINC000006363128,,,,,6398414,[H]N([H])[C@@H](CCCC(=O)N([H])[C@@H](CS)C(=O)N([H])[C@H](C=C)C(O)=O)C(O)=O,"InChI=1S/C13H21N3O6S/c1-2-8(13(21)22)16-11(18)9(6-23)15-10(17)5-3-4-7(14)12(19)20/h2,7-9,23H,1,3-6,14H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t7-,8+,9-/m0/s1",JJJCGQKXGIRXKN-YIZRAAEISA-N
DB03428,,SU9516,experimental,,,,,,SU9,,ZINC000014806879,CHEMBL258805,50503353,,,5289419,COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1,"InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-",QNUKRWAIZMBVCU-WCIBSUBMSA-N
DB03429,,Tetrastearoyl cardiolipin,experimental,,,,,,CDL,,,,,,62861,449005,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/t76-,77-/m1/s1",XVTUQDWPJJBEHJ-KZCWQMDCSA-N
DB03430,71807-09-5,(S)-4-hydroxymandelonitrile,experimental,,,,,,DHR,,ZINC000008100932,,,,16660,440104,O[C@H](C#N)C1=CC=C(O)C=C1,"InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1",HOOOPXDSCKBLFG-MRVPVSSYSA-N
DB03432,,Beta-Amino Isobutyrate,experimental,,,,,,BIB,,,,,,49097,5287787,C[C@H](CN)C([O-])=O,"InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m1/s1",QCHPKSFMDHPSNR-GSVOUGTGSA-M
DB03433,,{3-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-2-Methyl-Propyl}-Phosphonic Acid,experimental,,,,,,33P,,ZINC000012503605,,,,,5496700,C[C@H](CNCC1=C(O)C(C)=NC=C1COP(O)(O)=O)OP(O)(O)=O,"InChI=1S/C11H20N2O9P2/c1-7(22-24(18,19)20)3-12-5-10-9(6-21-23(15,16)17)4-13-8(2)11(10)14/h4,7,12,14H,3,5-6H2,1-2H3,(H2,15,16,17)(H2,18,19,20)/t7-/m1/s1",JMZWWHLIKAYMPJ-SSDOTTSWSA-N
DB03434,1132-61-2,3-(N-morpholino)propanesulfonic acid,experimental,,,,,,MPO,,ZINC000002004377,CHEMBL1234443,,,39076,70807,OS(=O)(=O)CCCN1CCOCC1,"InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)",DVLFYONBTKHTER-UHFFFAOYSA-N
DB03435,58-98-0,Uridine-5'-Diphosphate,experimental,,,,,,UDP,,ZINC000004490939,CHEMBL130266,50118239,,17659,146015339,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",XCCTYIAWTASOJW-XVFCMESISA-N
DB03436,,Gallichrome,experimental,,,,,,GCR,,,,,,,139031127,[Ga+3].CC(=O)N([O-])CCC[C@H]1\N=C(O)\C\N=C(O)\[C@H](CO)\N=C(O)\C\N=C(O)\[C@H](CCCN([O-])C(C)=O)\N=C(O)\C(CCCN([O-])C(C)=O)\N=C1/O,"InChI=1S/C28H44N9O13.Ga/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/q-3;+3/t19-,20+,21?,22-;/m0./s1",BEDMDXBTNSVNGS-NIAPTITASA-N
DB03437,,"(2R,4S)-2-[(1R)-1-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",experimental,,,,,,PCN,,ZINC000033396878,,,,,9600418,[H]N([H])C1=NC(=CS1)C(=N\OC)\C(=O)N([H])[C@H](C=O)[C@@]1([H])SC(C)(C)[C@@H](N1[H])C(O)=O,"InChI=1S/C14H19N5O5S2/c1-14(2)9(12(22)23)18-11(26-14)6(4-20)16-10(21)8(19-24-3)7-5-25-13(15)17-7/h4-6,9,11,18H,1-3H3,(H2,15,17)(H,16,21)(H,22,23)/b19-8-/t6-,9+,11-/m1/s1",YVNKGXXVZIQNIV-RKMXGKDGSA-N
DB03438,,Lysophosphatidylglycerol,experimental,,,,,,PGM,,,,,,,5289143,[H][C@](O)(CO)COP([O-])(=O)OC[C@@]([H])(O)COC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1",BVJSKAUUFXBDOB-SFTDATJTSA-M
DB03439,,"4,6-dideoxy-4-amino-alpha-D-glucose",experimental,,,,,,AGL,,,,,,,444139,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N,"InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1",RJKBJEZZABBYBA-DVKNGEFBSA-N
DB03440,2441-41-0,N-hexadecanoylglycine,experimental,,,,,,140,,ZINC000008689962,CHEMBL226117,212439,,39540,151008,CCCCCCCCCCCCCCCC(=O)NCC(O)=O,"InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)",KVTFEOAKFFQCCX-UHFFFAOYSA-N
DB03441,,2-Benzyl-3-Iodopropanoic Acid,experimental,,,,,,BIP,,,,,,,17753867,[H][C@@](CI)(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H11IO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1",CRYXPGIJLMKFPX-VIFPVBQESA-N
DB03442,68957-71-1,Acid yellow 54 free acid,experimental,,,,,,326,,ZINC000004261853,,,,,,CC1=NN(C(O)=C1\N=N\C1=CC(=CC=C1C(O)=O)S(O)(=O)=O)C1=C(C)C=C(C=C1)S(O)(=O)=O,"InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+",NOQURKNIKJDEPW-FMQUCBEESA-N
DB03443,,bis(5-amidino-benzimidazolyl)methanone zinc,experimental,,,,,,BOZ,,,,,,,,NC(N)C1=CC2=C(C=C1)[N+]1=C(N2)C(=O)C2=[N+]([Zn]1)C1=C(N2)C=C(C=C1)C(N)N,"InChI=1S/C17H18N8O.Zn/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17;/h1-6,14-15H,18-21H2,(H,22,24)(H,23,25);/q;+2",ZZTKUHCUDLEGEN-UHFFFAOYSA-N
DB03444,667463-62-9,6-bromoindirubin-3'-oxime,experimental,,,,,,BRW,,ZINC000018128386,CHEMBL409450,50012188,,86290,,O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=CC(Br)=CC=C12,"InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+",DDLZLOKCJHBUHD-WAVHTBQISA-N
DB03445,,"(3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine",experimental,,,,,,TBI,,ZINC000096006090,,,,,,CC(CN1C=CN=N1)([C@@H](N\C=C\C=O)C(O)=O)S(=O)=O,"InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2+/t8-,10-/m0/s1",ANZZKUOZZHRUQC-QZWDGIGVSA-N
DB03446,,N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide,experimental,,,,,,AI1,,ZINC000006580001,,,,,445579,[H][C@]1(CO)O[C@]([H])(OC2=CC=CC(=C2)C(=O)NCC2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C20H23NO7/c22-11-15-16(23)17(24)18(25)20(28-15)27-14-8-4-7-13(9-14)19(26)21-10-12-5-2-1-3-6-12/h1-9,15-18,20,22-25H,10-11H2,(H,21,26)/t15-,16+,17+,18-,20+/m1/s1",FSMWGHKWKYCPKE-QTVCLEQKSA-N
DB03447,,Uridylyl-2'-5'-phospho-adenosine,experimental,,,,,,UPA,,ZINC000015268260,,,,,444053,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4N4C=CC(=O)NC4=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-27)36-18(14)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1",QARCCHXXGAIRFS-KPKSGTNCSA-N
DB03448,,2'-Deoxyuridine 3'-Monophosphate,experimental,,,,,,UM3,,ZINC000006524812,,,,46322,449392,OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H13N2O8P/c12-4-6-5(19-20(15,16)17)3-8(18-6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",LXKGKXYIAAKOCT-SHYZEUOFSA-N
DB03449,,N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide,experimental,,,,,,ARR,,ZINC000001895591,CHEMBL293212,50122307,,,449021,[H]N([H])C(=N/C1=CC=C(CCN([H])CC2=CC(Cl)=CC=C2)C=C1)\C1=CC=CS1,"InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)",ZZVGLDBDDYESAB-UHFFFAOYSA-N
DB03450,,Cephalothin Group,experimental,,,,,,CEP,,ZINC000100033206,,,,,46936680,[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(CC(=O)OC)CS1,"InChI=1S/C16H18N2O6S2/c1-24-13(21)5-9-8-26-15(18-14(9)16(22)23)11(7-19)17-12(20)6-10-3-2-4-25-10/h2-4,7,11,15,18H,5-6,8H2,1H3,(H,17,20)(H,22,23)/t11-,15-/m1/s1",UUWFGEKEQSCSMB-IAQYHMDHSA-N
DB03451,131875-08-6,Lexacalcitol,experimental,,,,,,KH1,,ZINC000004474609,CHEMBL432600,,,,5288670,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@@H](C)OCCCC(O)(CC)CC,"InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1",KLZOTDOJMRMLDX-YBBVPDDNSA-N
DB03452,,3-Trimethylsilylsuccinic Acid,experimental,,,,,,SIF,,,,,,,3359381,C[Si](C)(C)C(CC(O)=O)C(O)=O,"InChI=1S/C7H14O4Si/c1-12(2,3)5(7(10)11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)(H,10,11)",RTXZCZFAAYFFKF-UHFFFAOYSA-N
DB03453,193744-04-6,Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate,experimental,,,,,,FRG,,ZINC000013579788,CHEMBL419362,50147974,,,5288250,[H]N=C(N([H])[H])N1CCC[C@H](CC(=O)N([H])[C@@H](CC2=CC=C(C=C2)C#CC2=CC=CC=C2)C(=O)OC)C1,"InChI=1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1",MRNGXYMKYHNMLV-PKTZIBPZSA-N
DB03454,488-17-5,"3-methyl-benzene-1,2-diol",experimental,,,,,,MBD,,ZINC000013512198,CHEMBL1173328,,,18404,340,CC1=CC=CC(O)=C1O,"InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3",PGSWEKYNAOWQDF-UHFFFAOYSA-N
DB03455,,(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid,experimental,,,,,,MPE,,ZINC000005889662,,,,,447066,[H][C@](NOCCS)(C(O)=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1",FJAWIBGKKKXXAL-LLVKDONJSA-N
DB03456,,N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide,experimental,,,,,,NBL,,ZINC000012503669,,,,,5288988,[H][C@@](CC(C)C)(NC(=O)OCC1=CC=CC=C1)C(=O)N[C@]1([H])CCN(C1)C#N,"InChI=1S/C19H26N4O3/c1-14(2)10-17(18(24)21-16-8-9-23(11-16)13-20)22-19(25)26-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m1/s1",IMTUSTXBVIALBC-SJORKVTESA-N
DB03458,111770-79-7,"N(4)-Adenosyl-N(4)-methyl-2,4-diaminobutanoic acid",experimental,,,,,,SA8,,,CHEMBL1235825,50381264,,,188380,CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1",JISVTSUBJCPLSV-TWBCTODHSA-N
DB03459,51321-79-0,Sparfosic acid,experimental,,,,,,PAL,,ZINC000001563934,CHEMBL504802,,,,39981,[H]N([C@@H](CC(O)=O)C(O)=O)C(=O)CP(O)(O)=O,"InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1",ZZKNRXZVGOYGJT-VKHMYHEASA-N
DB03460,126-29-4,Violaxanthin,experimental,,,,,,XAT,,ZINC000008221270,,,,35288,448438,C\C(\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",SZCBXWMUOPQSOX-WVJDLNGLSA-N
DB03461,53-59-8,Nicotinamide adenine dinucleotide phosphate,experimental,,,,,,NAP,,,CHEMBL295069,,,44409,57525501,NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",XJLXINKUBYWONI-NNYOXOHSSA-N
DB03462,65-71-4,Thymine,experimental,,,,1368871,,TDR,,ZINC000000157062,CHEMBL993,50134397,,17821,1135,CC1=CNC(=O)NC1=O,"InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",RWQNBRDOKXIBIV-UHFFFAOYSA-N
DB03464,,Formycin-5'-Monophosphate,experimental,,,,,,FMP,,ZINC000013507295,,,,,444260,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(C2=C3N=CN=C(N)C3=NN2)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H14N5O7P/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(17)7(16)3(22-9)1-21-23(18,19)20/h2-3,7-9,16-17H,1H2,(H,14,15)(H2,11,12,13)(H2,18,19,20)/t3-,7-,8-,9+/m1/s1",PBAHXXBYQACZMA-KSYZLYKTSA-N
DB03466,,BMS184394,experimental,,,,,,184,,ZINC000005963581,CHEMBL81273,31884,,,445575,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O,"InChI=1S/C26H28O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,23,27H,11-12H2,1-4H3,(H,28,29)/t23-/m0/s1",AYAJZQYENGWICE-QHCPKHFHSA-N
DB03467,480-41-1,Naringenin,experimental,,,,1368173,PA151958361,NAR,,ZINC000000156701,CHEMBL9352,23419,,17846,439246,[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1",FTVWIRXFELQLPI-ZDUSSCGKSA-N
DB03468,,"1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide",experimental,,,,,,SKF,,ZINC000020397736,CHEMBL26717,13017,,,5226,NS(=O)(=O)C1=CC2=C(CCNC2)C=C1,"InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)",UGLLZXSYRBMNOS-UHFFFAOYSA-N
DB03469,,Heme D,experimental,,,,,,DHE,,,,,,,,CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5[N+]6=C(C=C7N8C(C=C1N2[Fe]68N34)=C([O-])[C@]7(C)CC(O)=O)C(=O)[C@]5(C)CC(O)=O,"InChI=1S/C34H36N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h9-12H,5-8,13-14H2,1-4H3,(H8,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+4/p-4/t33-,34-;/m1./s1",VHULDAGHTVZTRL-YDXXJHAFSA-J
DB03470,,Trypanothione,experimental,,,,,,GCG,,ZINC000008217540,,,,17842,449517,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1",PHDOXVGRXXAYEB-VJANTYMQSA-N
DB03471,,6-phenyl-4(R)-(7-phenyl-heptanoylamino)-hexanoic acid,experimental,,,,,,BR4,,ZINC000006579298,,,,,446783,[H]N([C@@H](CCC(O)=O)CCC1=CC=CC=C1)C(=O)CCCCCCC1=CC=CC=C1,"InChI=1S/C25H33NO3/c27-24(16-10-2-1-5-11-21-12-6-3-7-13-21)26-23(19-20-25(28)29)18-17-22-14-8-4-9-15-22/h3-4,6-9,12-15,23H,1-2,5,10-11,16-20H2,(H,26,27)(H,28,29)/t23-/m1/s1",SMNHQYPORNSAQH-HSZRJFAPSA-N
DB03472,,Cyclohexyl-Hexyl-Beta-D-Maltoside,experimental,,,,,,MA4,,ZINC000016051503,,,,,447688,[H][C@]1(CO)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OCCCCCCC3CCCCC3)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1",WUCWJXGMSXTDAV-QKMCSOCLSA-N
DB03473,,N5-Methylglutamine,experimental,,,,,,MEQ,,ZINC000001529600,,,,58200,25203300,CNC(=O)CC[C@H](N)C(O)=O,"InChI=1S/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1",ONXPDKGXOOORHB-BYPYZUCNSA-N
DB03474,,Reactive Red 1 Dye,experimental,,,,,,RR1,,ZINC000014880776,,,,45457,,NC1=NC(NC2=CC(=CC3=C2C(O)=C(\N=N\C2=CC=CC=C2S(O)(=O)=O)C(=C3)S(O)(=O)=O)S(O)(=O)=O)=NC(N)=N1,"InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+",LOCFSBZWHQIILX-CYYJNZCTSA-N
DB03475,,"1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,5'-Di(Hydroxymethyl)Pyrrolidin-2-One",experimental,,,,,,RA2,,ZINC000000007642,CHEMBL307189,50078329,,45265,444508,CCC(CC)NC1=CC(=CC=C1N1C(=O)CCC1(CO)CO)C(O)=O,"InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)",BNIJJJRESBVRNB-UHFFFAOYSA-N
DB03476,,Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine,experimental,,,,,,745,,ZINC000006581941,,,,,448841,[H][C@]1(C[C@@]1([H])C1=CC2=CC=C(C=C2C=C1)C(N)=N)C1=CC=CC=C1,"InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)/t18-,19-/m0/s1",NQRIWXVAIWPBEM-OALUTQOASA-N
DB03477,,1-Phenylsulfonamide-3-Trifluoromethyl-5-Parabromophenylpyrazole,experimental,,,,,,S58,,ZINC000002047040,CHEMBL1235806,,,,1396,NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Br)C=C1)C(F)(F)F,"InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)",OYZKFVIVPRQRQQ-UHFFFAOYSA-N
DB03478,,2'-O-Acetyl Adenosine-5-Diphosphoribose,experimental,,,,,,OAD,,ZINC000058638658,,,,,447049,[H][C@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])OC(C)=O,"InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1",BFNOPXRXIQJDHO-DLFWLGJNSA-N
DB03479,,"8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione",experimental,,,,,,GL7,,ZINC000006437689,CHEMBL593791,,,,445720,CN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,"InChI=1S/C9H14N2O7/c1-11-7(16)9(10-8(11)17)6(15)5(14)4(13)3(2-12)18-9/h3-6,12-15H,2H2,1H3,(H,10,17)/t3-,4-,5+,6-,9+/m1/s1",RIUIMUSXAGXXON-FMTWGGRWSA-N
DB03480,,Brequinar Analog,experimental,,,,,,BRE,,,CHEMBL220467,50201925,,,1543,CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)",WYKKHJQZENLZID-UHFFFAOYSA-N
DB03481,,"5,10-Dimethylene Tetrahydromethanopterin",experimental,,,,,,H4M,,ZINC000096006093,,,,,135678089,C[C@H]1[C@@H]2[C@@H](C)NC3=C(N2CN1C1=CC=C(C[C@@H](O)[C@@H](O)[C@H](O)CO[C@H]2O[C@H](CO[P@@](O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@@H]2O)C=C1)C(=O)NC(N)=N3,"InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17-,18-,19+,20-,22+,24-,25-,26+,30+/m1/s1",GBMIGEWJAPFSQI-FLVBPUPRSA-N
DB03482,,8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide,experimental,,,,,,RFL,,ZINC000098209358,,,,,5289282,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN4C5=C(C=C(C)C(=C5)N(C)C)N=C5C(=O)N([H])C(=O)N=C45)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C28H36N10O15P2/c1-11-4-12-14(5-13(11)36(2)3)37(25-19(33-12)26(44)35-28(45)34-25)6-15(39)20(41)16(40)7-50-54(46,47)53-55(48,49)51-8-17-21(42)22(43)27(52-17)38-10-32-18-23(29)30-9-31-24(18)38/h4-5,9-10,15-17,20-22,27,39-43H,6-8H2,1-3H3,(H,46,47)(H,48,49)(H2,29,30,31)(H,35,44,45)/t15-,16+,17+,20-,21+,22+,27+/m0/s1",UXOZEHHQWXVTPI-MZWSMYJRSA-N
DB03483,,(4S)-5-[[(2S)-1-[[(2S)-1-Amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-benzamido-5-oxopentanoic acid,experimental,,,,,,BGD,,ZINC000098208699,,,,,446986,[H]N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CCC(O)=O)N([H])C(=O)C1=CC=CC=C1,"InChI=1S/C32H34F4N4O12P2/c33-31(34,53(47,48)49)21-10-6-18(7-11-21)16-24(27(37)43)39-30(46)25(17-19-8-12-22(13-9-19)32(35,36)54(50,51)52)40-29(45)23(14-15-26(41)42)38-28(44)20-4-2-1-3-5-20/h1-13,23-25H,14-17H2,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)(H,41,42)(H2,47,48,49)(H2,50,51,52)/t23-,24-,25-/m0/s1",UJIWNECQGQOIKP-SDHOMARFSA-N
DB03484,59734-15-5,sn-glycero-3-phosphoethanolamine,experimental,,,,,,,,ZINC000004095591,,,,16929,5459861,[H][C@](O)(CO)COP(O)(=O)OCCN,"InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m0/s1",JZNWSCPGTDBMEW-YFKPBYRVSA-N
DB03485,6189-71-5,alpha-D-Fucopyranose,experimental,,,,,,FCA,,ZINC000001532815,CHEMBL609880,,,42564,444200,C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1",SHZGCJCMOBCMKK-PHYPRBDBSA-N
DB03486,,Phosphomethylphosphonic acid guanosyl ester,experimental,,,,,,GP2,,ZINC000013549556,CHEMBL1164951,50527136,,,135406506,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C11H17N5O10P2/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1",OCJWYBKRHNXUME-KQYNXXCUSA-N
DB03487,73537-92-5,(S)-Aspartimide,experimental,,,,,,SNN,,ZINC000005134830,,,,,13373305,[H]N1C(=O)C[C@H](N)C1=O,"InChI=1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)/t2-/m0/s1",YDNMHDRXNOHCJH-REOHCLBHSA-N
DB03488,,Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-galactose,experimental,,,,,,U2F,,ZINC000016051573,CHEMBL593830,50304032,,,448923,OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](F)[C@@H](O)[C@@H]1O,"InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1",NGTCPFGWXMBZEP-NQQHDEILSA-N
DB03489,,2-Keto-3-Deoxygluconate,experimental,,,,,,KDG,,ZINC000001532570,,,,75840,11309850,OC[C@H](O)[C@@H](O)CC(=O)C(O)=O,"InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m0/s1",WPAMZTWLKIDIOP-UCORVYFPSA-N
DB03490,,"3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole",experimental,,,,,,89E,,ZINC000006575974,CHEMBL1234009,50378818,,,314123,C1C2=C(C=CC=C2)C2=NNC(=C12)C1=CC=NC=C1,"InChI=1S/C15H11N3/c1-2-4-12-11(3-1)9-13-14(17-18-15(12)13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18)",NHOACLCXCKJMAK-UHFFFAOYSA-N
DB03491,,2'-Deoxyguanosine-5'-Diphosphate,experimental,,,,,,DGI,,ZINC000008215878,CHEMBL1232205,50035297,,28862,135398595,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,"InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",CIKGWCTVFSRMJU-KVQBGUIXSA-N
DB03492,,"lambda-bis(2,2'-bipyridine)imidazole osmium (II)",experimental,,,,,,LOS,,,,,,,,C1=CN(C=N1)[Os++]123[N]4=CC=CC=C4C4=[N]1C=CC=C4.C1=CC(C4=CC=CC=[N]24)=[N]3C=C1,InChI=1S/2C10H8N2.C3H3N2.Os/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H;/q;;-1;+3,LHAHECCJWGXHOW-UHFFFAOYSA-N
DB03493,,7-Methylguanosine,experimental,,,,,,MG7,,ZINC000018130229,CHEMBL1234293,,,20794,135445750,CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2,"InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1",OGHAROSJZRTIOK-KQYNXXCUSA-O
DB03495,,"4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose",experimental,,,,,,,,ZINC000098209018,CHEMBL1233515,50120851,,,449165,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+,25-/m1/s1",FZLCJZILHGFQLM-PISLJJGOSA-N
DB03496,146426-40-6,Alvocidib,"['experimental', 'investigational']",,,,,PA452627,CPB,,ZINC000021288966,CHEMBL428690,5655,NSC-649890,47344,5287969,CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl,"InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1",BIIVYFLTOXDAOV-YVEFUNNKSA-N
DB03497,626-69-7,L-serine O-sulfate,experimental,,,,,,OSE,,ZINC000004095907,CHEMBL28885,17663,,15829,164701,N[C@@H](COS(O)(=O)=O)C(O)=O,"InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",LFZGUGJDVUUGLK-REOHCLBHSA-N
DB03498,,Mercaptomethyl Phosphonate,experimental,,,,,,MMQ,,,,,,,5288817,[O-]P([O-])(=O)CS,"InChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)/p-2",MJZCELCYTRONIX-UHFFFAOYSA-L
DB03499,636-61-3,D-Malic acid,experimental,,,,,,MLT,,ZINC000000895264,CHEMBL225986,,,30796,92824,O[C@H](CC(O)=O)C(O)=O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1",BJEPYKJPYRNKOW-UWTATZPHSA-N
DB03500,2433-96-7,Tricosanoic acid,experimental,,,,,,F23,,ZINC000006920379,CHEMBL1173462,,,42394,17085,CCCCCCCCCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)",XEZVDURJDFGERA-UHFFFAOYSA-N
DB03501,2956-16-3,Galactose-uridine-5'-diphosphate,experimental,,,,,,GDU,,ZINC000008551104,CHEMBL439009,50209668,,67119,18068,OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1",HSCJRCZFDFQWRP-ABVWGUQPSA-N
DB03502,,(4s)-4-{[(2s)-2-Amino-3-Oxopropyl]Sulfanyl}-L-Homoserinate,experimental,,,,,,HTI,,ZINC000058632347,,,,,49867129,[H][C@](O)(C[C@]([H])(N)C(O)=O)SC[C@]([H])(N)C(O)=O,"InChI=1S/C7H14N2O5S/c8-3(6(11)12)1-5(10)15-2-4(9)7(13)14/h3-5,10H,1-2,8-9H2,(H,11,12)(H,13,14)/t3-,4-,5+/m0/s1",ZGWOKDWPXPPFGS-VAYJURFESA-N
DB03503,,"4-Acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid",experimental,,,,,,G20,,ZINC000006380100,CHEMBL300461,50478627,,,449379,CCCN(C)C(=O)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O,"InChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1",QPJWMZVTNXFTKV-JMJZKYOTSA-N
DB03504,,"9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine",experimental,,,,,,PU8,,ZINC000003832020,CHEMBL112896,15379,,,448970,CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2Cl)=NC2=C(N)N=CN=C12,"InChI=1S/C19H24ClN5O3/c1-5-6-7-25-13(24-15-18(21)22-10-23-19(15)25)9-11-8-12(26-2)16(27-3)17(28-4)14(11)20/h8,10H,5-7,9H2,1-4H3,(H2,21,22,23)",IVPCTHKPOPQMSX-UHFFFAOYSA-N
DB03505,53745-23-6,"2,6-diaminoquinazolin-4-ol",experimental,,,,,,DQU,,ZINC000015894694,,,,,135413405,NC1=CC2=C(O)N=C(N)N=C2C=C1,"InChI=1S/C8H8N4O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,9H2,(H3,10,11,12,13)",YCRCNZBZUQLULA-UHFFFAOYSA-N
DB03506,2227-98-7,"5H-pyrrolo[3,2-d]pyrimidin-4-amine",experimental,,,,,,9DA,,ZINC000001575342,,,,,5287565,NC1=NC=NC2=C1NC=C2,"InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)",YRVFQPBPZCRUDX-UHFFFAOYSA-N
DB03507,,"6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One",experimental,,,,,,703,,ZINC000012503715,,,,,4470566,[O-][N+](=O)C1=CC(=CC=C1)C1=CC2=C(S1)C=C1N2C(=S)N(CCCN2CCOCC2)C1=O,"InChI=1S/C21H20N4O4S2/c26-20-17-13-19-16(12-18(31-19)14-3-1-4-15(11-14)25(27)28)24(17)21(30)23(20)6-2-5-22-7-9-29-10-8-22/h1,3-4,11-13H,2,5-10H2",UXGUZFZBZPPZGL-UHFFFAOYSA-N
DB03508,1002-67-1,Diethylene glycol ethyl methyl ether,experimental,,,,2398515,,ME2,,ZINC000002040081,,,,,13847,CCOCCOCCOC,"InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3",CNJRPYFBORAQAU-UHFFFAOYSA-N
DB03509,,2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide,experimental,,,,,,CNQ,,ZINC000001489510,,27720,,,657038,NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1,"InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)",FLYGLPYJEQPCFY-UHFFFAOYSA-N
DB03510,,6-O-Phosphoryl Inosine Monophosphate,experimental,,,,,PA130230922,IMO,,,,,,,444818,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3OP(O)(O)=O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H14N4O11P2/c15-6-4(1-23-26(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)25-27(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1",RXRZOKQPANIEDW-KQYNXXCUSA-N
DB03511,6294-16-2,alpha-D-galacturonic acid,experimental,,,,,,ADA,,ZINC000004228259,,,,33885,445929,O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1",AEMOLEFTQBMNLQ-BKBMJHBISA-N
DB03512,,"Uridine-2',3'-vanadate",experimental,,,,,,UVC,,,,,,,,OC[C@@H]1O[C@H]([C@H]2O[V](O)(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O,"InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);2*1H2;;/q-2;;;;+4/p-2/t4-,6+,7-,8+;;;;/m0..../s1",JSPAHXDHRUTBDP-VKTKOMAXSA-L
DB03513,,"(S)-2-Amino-3-(4h-Selenolo[3,2-B]-Pyrrol-6-Yl)-Propionic Acid",experimental,,,,,,32S,,,,,,,15480320,[H][C@](N)(CC1=CNC2=C1[Se]C=C2)C(O)=O,"InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1",RKIAGDNYTCWCNV-LURJTMIESA-N
DB03514,7786-61-0,4-Vinylguaiacol,experimental,,,,,,4M4,,ZINC000001849800,CHEMBL1232595,,,42438,332,COC1=C(O)C=CC(C=C)=C1,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",YOMSJEATGXXYPX-UHFFFAOYSA-N
DB03515,517-09-9,Equilenin,experimental,,,,,,EQU,,ZINC000000393154,CHEMBL225546,50423545,,34739,444865,[H][C@@]12CCC(=O)[C@@]1(C)CCC1=C2C=CC2=C1C=CC(O)=C2,"InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1",PDRGHUMCVRDZLQ-WMZOPIPTSA-N
DB03516,59989-18-3,Eniluracil,investigational,"['16466986', '12796023', '14967434']",,D03998,,,Y3G,,ZINC000000005467,CHEMBL355200,50124202,ENILURACIL,177783,43157,O=C1NC=C(C#C)C(=O)N1,"InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)",JOZGNYDSEBIJDH-UHFFFAOYSA-N
DB03517,,[Methylthio]Acetate,experimental,,,,,,MTG,,,,,,18071,5179950,CSCC([O-])=O,"InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1",HGTBAIVLETUVCG-UHFFFAOYSA-M
DB03518,150-97-0,Mevalonic acid,experimental,,,,,,MEV,,ZINC000000895221,CHEMBL1794734,,,17710,439230,C[C@@](O)(CCO)CC(O)=O,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1",KJTLQQUUPVSXIM-ZCFIWIBFSA-N
DB03520,1651-29-2,6-Chloro-2-fluoropurine,experimental,,,,,,CFP,,ZINC000006585256,,,,,5287914,FC1=NC2=C(N=CN2)C(Cl)=N1,"InChI=1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)",UNRIYCIDCQDGQE-UHFFFAOYSA-N
DB03522,,Aspartic Acid-4-Carboxymethyl Ester,experimental,,,,,,ASB,,ZINC000006360489,,,,,17753844,N[C@@H](CC(=O)OCC(O)=O)C(O)=O,"InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1",VYJCBTPDYBSANG-VKHMYHEASA-N
DB03523,96187-53-0,Brequinar,experimental,,,,,,BRF,,ZINC000001587011,CHEMBL38434,15339,BREQUINAR SODIUM,177387,57030,CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1F,"InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)",PHEZJEYUWHETKO-UHFFFAOYSA-N
DB03524,,"N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-[(2-thiophen-2-ylacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide",experimental,,,,,,J12,,ZINC000058639008,,,,,49867166,NCCCN1CCN(CCCNC(=O)C2=CC(NC(=O)CC3=CC=CS3)=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)CC1,"InChI=1S/C29H43N5O8S/c30-5-2-7-33-9-11-34(12-10-33)8-3-6-31-28(40)19-14-20(32-24(36)17-22-4-1-13-43-22)16-21(15-19)41-29-27(39)26(38)25(37)23(18-35)42-29/h1,4,13-16,23,25-27,29,35,37-39H,2-3,5-12,17-18,30H2,(H,31,40)(H,32,36)/t23-,25+,26+,27-,29+/m1/s1",ZIXIINLBMSXOQV-ADWZMSLQSA-N
DB03525,,RU79073,experimental,,,,,,790,,ZINC000012503720,CHEMBL358860,14682,,,5287550,OP(O)(=O)OC1=C2NCCCC2=CC=C1,"InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)",NSJSAHCLJYVEDM-UHFFFAOYSA-N
DB03526,,AL5927,experimental,,,,,,AL9,,ZINC000002047862,,11930,,,4316,COC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1,"InChI=1S/C12H14N2O5S3/c1-19-10-4-2-9(3-5-10)8-14-22(17,18)12-7-6-11(20-12)21(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)",LRRAIRJIZOLGPR-UHFFFAOYSA-N
DB03528,,9-Beta-D-Xylofuranosyl-Adenine,experimental,,,,,,XYA,,ZINC000003978049,CHEMBL1236872,,,46515,447916,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10-/m1/s1",OIRDTQYFTABQOQ-GAWUUDPSSA-N
DB03530,,Acylated ceftazidime,experimental,,,,,,CAZ,,ZINC000015598888,,,,,9600404,[H]N([H])C1=NC(=CS1)C(=N\OC(C)(C)C(O)=O)\C(=O)N([H])[C@H](C=O)[C@@]1([H])SCC(=C)C(=N1)C(O)=O,"InChI=1S/C17H19N5O7S2/c1-7-5-30-13(21-10(7)14(25)26)8(4-23)19-12(24)11(9-6-31-16(18)20-9)22-29-17(2,3)15(27)28/h4,6,8,13H,1,5H2,2-3H3,(H2,18,20)(H,19,24)(H,25,26)(H,27,28)/b22-11-/t8-,13-/m1/s1",VEHPZKIFULQYFS-BZXVCXBKSA-N
DB03531,,Flavin-adenine dinucleotide-N5-isobutyl ketone,experimental,,,,,,FAB,,,,,,,135678106,CC(C)C(=O)N1C2=C(C=C(C)C(C)=C2)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN=C3C2=NC=NC3=N)C2=C1C([O-])=NC(=O)N2,"InChI=1S/C31H39N9O16P2/c1-12(2)29(47)40-16-6-14(4)13(3)5-15(16)38(27-21(40)28(46)37-31(48)36-27)7-17(41)22(43)18(42)8-53-57(49,50)56-58(51,52)54-9-19-23(44)24(45)30(55-19)39-11-35-20-25(32)33-10-34-26(20)39/h5-6,10-12,17-19,22-24,30,32,41-45H,7-9H2,1-4H3,(H3-,36,37,46,48,49,50,51,52)/t17-,18+,19+,22-,23+,24+,30+/m0/s1",NQOFHJRBABCNHU-UYOVOMPXSA-N
DB03532,,Phosphomethylphosphonic acid guanylate ester,experimental,,,,,,G2P,,ZINC000016051609,,,,,135440070,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1",GXTIEXDFEKYVGY-KQYNXXCUSA-N
DB03533,496-46-8,Acetyleneurea,experimental,,,,,,GLL,,,,,,37083,,[H][C@@]12NC(=O)N[C@]1([H])NC(=O)N2,"InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+",VPVSTMAPERLKKM-XIXRPRMCSA-N
DB03534,,3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide,experimental,,,,,,ZAM,,ZINC000000591143,CHEMBL109420,8716,,,447018,CN(CC1=C(N)C=CC(=C1)C(=O)N(C)CC1=CC2=C(C=CC=C2)N1C)C(C)=O,"InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3",AWTBJNJPBKTHEV-UHFFFAOYSA-N
DB03535,,Z-Pro-Prolinal,experimental,,,,,,ZPR,,ZINC000003803443,CHEMBL79993,50038879,,,122623,[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1C(=O)OCC1=CC=CC=C1)C=O,"InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1",ORZXYSPOAVJYRU-HOTGVXAUSA-N
DB03536,,Benzyl N-[(2S)-5-(diaminomethylamino)-1-[[(2S)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate,experimental,,,,,,ZRA,,ZINC000098209677,,,,,131704251,C[C@H](NC(=O)[C@H](CCCNC(N)N)NC(=O)OCC1=CC=CC=C1)C(=O)CF,"InChI=1S/C18H28FN5O4/c1-12(15(25)10-19)23-16(26)14(8-5-9-22-17(20)21)24-18(27)28-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17,22H,5,8-11,20-21H2,1H3,(H,23,26)(H,24,27)/t12-,14-/m0/s1",FAAPWXRBXXSQNJ-JSGCOSHPSA-N
DB03537,,[4-(4-Hydroxy-Benzyl)-2-(2-Hydroxy-1-Methyl-Ethyl)-5-Oxo-Imidazolidin-1-Yl]-Acetic Acid,experimental,,,,,,GYS,,ZINC000058627013,,,,,49867069,[H]\C(=C1\N=C(N(CC(O)=O)C1=O)[C@@]([H])(N)CO)C1=CC=C(O)C=C1,"InChI=1S/C14H15N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-5,10,18-19H,6-7,15H2,(H,20,21)/b11-5-/t10-/m0/s1",XSUILVORURXWDH-QIMWGGGBSA-N
DB03539,,2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose,experimental,,,,,,ALI,,ZINC000033821201,,,,,5287668,[H][C@]1(O)[C@]([H])(O)[C@@]2([H])N=C(O[C@@]2([H])[C@]1([H])CO)N=C,"InChI=1S/C8H12N2O4/c1-9-8-10-4-6(13)5(12)3(2-11)7(4)14-8/h3-7,11-13H,1-2H2/t3-,4-,5-,6-,7+/m1/s1",YJMIXNAZGREWGZ-GKHCUFPYSA-N
DB03540,,Norcamphor,experimental,,,,,,NCM,,ZINC000001693941,,,,,449588,[H][C@]12CC[C@]([H])(C1)C(=O)C2,"InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+/m0/s1",KPMKEVXVVHNIEY-NTSWFWBYSA-N
DB03541,,"10-Propargyl-5,8-Dideazafolic Acid",experimental,,,,,,CB3,,ZINC000008655373,CHEMBL389051,18771,,3258,135438608,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(CC#C)CC1=CC=C2NC(N)=NC(=O)C2=C1)C(O)=O,"InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1",LTKHPMDRMUCUEB-IBGZPJMESA-N
DB03542,,L-Myo-Inositol-1-Phosphate,experimental,,,,,,LIP,,,,,,58401,,[H][C@]1(O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m0/s1",INAPMGSXUVUWAF-PTQMNWPWSA-L
DB03543,,1-(O-Carboxy-Phenylamino)-1-Deoxy-D-Ribulose-5-Phosphate,experimental,,,,,,137,,ZINC000002047810,,,,,446446,[H][C@@](O)(CNC1=CC=CC=C1C(O)=O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,"InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10-,11+/m1/s1",AULMJMUNCOBRHC-MXWKQRLJSA-N
DB03544,,S-Phosphocysteine,experimental,,,,,,CSP,,,,,,22066,3082729,N[C@@H](CSP(O)(O)=O)C(O)=O,"InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-11-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",MNEMQJJMDDZXRO-REOHCLBHSA-N
DB03546,,"N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid",experimental,,,,,,KEU,,,,,,,131704252,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)[C@@]([H])(CCCC1C(O)=N[C@]([H])(N)N[C@]1([H])N)C(O)(O)C(F)(F)F)C(O)=O,"InChI=1S/C22H30F3N5O8/c23-22(24,25)21(37,38)13(3-1-2-12-16(26)29-20(27)30-18(12)34)10-4-6-11(7-5-10)17(33)28-14(19(35)36)8-9-15(31)32/h4-7,12-14,16,20,29,37-38H,1-3,8-9,26-27H2,(H,28,33)(H,30,34)(H,31,32)(H,35,36)/t12?,13-,14+,16+,20-/m1/s1",KOLDLUFBEMUZIM-YNPGLMGXSA-N
DB03548,,3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid,experimental,,,,,,KDO,,ZINC000005851513,,,,43577,445569,[H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)CO,"InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1",NNLZBVFSCVTSLA-HXUQBWEZSA-N
DB03549,,Biotinyl P-Nitroaniline,experimental,,,,,,BNI,,ZINC000006535889,,,,,446236,[H][C@@]1(CCCCC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)SC[C@]2([H])NC(=O)N[C@]12[H],"InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1",PORZMUYPQKOFQY-YDHLFZDLSA-N
DB03550,58678-43-6,Isopenicillin N,experimental,,,,,,IP1,,ZINC000004096831,,,,18165,440723,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CCC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1",MIFYHUACUWQUKT-GTQWGBSQSA-N
DB03551,,"(3R,4R)-3-Hydroxy-4-(hydroxymethyl)-1-[(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidinium",experimental,,,,,,DIH,,,,,,,5288068,[H]N1C=C(C[N+]2([H])C[C@H](O)[C@@H](CO)C2)C2N=CN([H])C(=O)C12,"InChI=1S/C12H18N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-11,13,17-18H,2-5H2,(H,14,15,19)/p+1/t8-,9+,10?,11?/m1/s1",WFVGWLHAOKEIOJ-MFQSTILNSA-O
DB03552,587-33-7,3-Tyrosine,experimental,,,,,,MTY,,ZINC000000392006,CHEMBL1232501,50463214,,44303,6950578,N[C@@H](CC1=CC=CC(O)=C1)C(O)=O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",JZKXXXDKRQWDET-QMMMGPOBSA-N
DB03553,110-94-1,Glutaric Acid,experimental,,,,1943799,,GUA,,ZINC000000388706,CHEMBL1162495,50485550,,17859,743,OC(=O)CCCC(O)=O,"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",JFCQEDHGNNZCLN-UHFFFAOYSA-N
DB03554,696-07-1,5-Iodouracil,experimental,,,,,,IUR,,ZINC000001092752,CHEMBL1173,50124203,,43636,69672,IC1=CNC(=O)NC1=O,"InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)",KSNXJLQDQOIRIP-UHFFFAOYSA-N
DB03555,,CRA_11092,experimental,,,,,,CR9,,ZINC000005890661,CHEMBL62807,50115868,,,447490,[H][C@]1(C)CCCC[C@]1([H])OC1=CC=CC(C2=NC3=C(N2)C=C(F)C(=C3)C(N)=N)=C1O,"InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/m0/s1",CMCDWLMEDRBWIR-GTNSWQLSSA-N
DB03556,,"2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400",experimental,,,,,,PE5,,ZINC000012503749,,,,,657096,CCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3",CUDPPTPIUWYGFI-UHFFFAOYSA-N
DB03557,,4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid,experimental,,,,,,SNA,,,,,,,131704254,NC(=O)C(CS)NC(=O)CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)NC(=O)C(CC(O)=O)NC(=O)CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O,"InChI=1S/C32H41F4N5O13P2S/c33-31(34,55(49,50)51)20-9-5-18(6-10-20)14-22(29(47)38-13-3-1-2-4-25(42)40-24(17-57)28(37)46)41-30(48)23(16-27(44)45)39-26(43)15-19-7-11-21(12-8-19)32(35,36)56(52,53)54/h5-12,22-24,57H,1-4,13-17H2,(H2,37,46)(H,38,47)(H,39,43)(H,40,42)(H,41,48)(H,44,45)(H2,49,50,51)(H2,52,53,54)/t22-,23?,24?/m0/s1",JNKZDIBIDJQPGC-BOMBAVFCSA-N
DB03558,,SP-876,experimental,,,,,,TP4,,ZINC000003874330,CHEMBL418875,50149206,,,445506,OC(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1",SRAHBOKVSSZEHQ-LSDHHAIUSA-N
DB03559,766-93-8,Cyclohexylformamide,experimental,,,,,,CXF,,ZINC000000332634,CHEMBL46778,50064278,,17945,13017,[H]C(=O)NC1CCCCC1,"InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)",SWGXDLRCJNEEGZ-UHFFFAOYSA-N
DB03560,123-08-0,P-Hydroxybenzaldehyde,experimental,,,,,,HBA,,ZINC000000156709,CHEMBL14193,50177411,,17597,126,OC1=CC=C(C=O)C=C1,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",RGHHSNMVTDWUBI-UHFFFAOYSA-N
DB03562,,Tetrahydrodeoxyuridine,experimental,,,,,,THU,,,,,,,5289468,[H]N1C(=O)CCN(C2C[C@H](O)[C@@H](CO)O2)C1=O,"InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1",XMJRLEURHMTTRX-FWHJPCMOSA-N
DB03564,,"(4r)-2-Methylpentane-2,4-Diol",experimental,,,,,,MPD,,ZINC000000388075,,,,44224,5288834,C[C@H](O)CC(C)(C)O,"InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1",SVTBMSDMJJWYQN-YFKPBYRVSA-N
DB03565,,1-O-Octyl-2-Heptylphosphonyl-Sn-Glycero-3-Phosphoethanolamine,experimental,,,,,,GEL,,,CHEMBL1159973,50366475,,,129148,[H][C@@](COCCCCCCCC)(COP(O)(=O)OCCN)OP(O)(=O)CCCCCCC,"InChI=1S/C20H45NO8P2/c1-3-5-7-9-10-12-15-26-18-20(19-28-31(24,25)27-16-14-21)29-30(22,23)17-13-11-8-6-4-2/h20H,3-19,21H2,1-2H3,(H,22,23)(H,24,25)/t20-/m1/s1",RCCNUBYROFOKAU-HXUWFJFHSA-N
DB03566,124-20-9,Spermidine,experimental,,,,1483262,,SPD,,ZINC000001532612,CHEMBL19612,50009353,SPERMIDINE,16610,1102,NCCCCNCCCN,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",ATHGHQPFGPMSJY-UHFFFAOYSA-N
DB03567,14215-68-0,alpha-N-Acetyl-D-galactosamine,"['experimental', 'investigational']",,,,,,A2G,,ZINC000002562219,CHEMBL1230702,,,40356,84265,CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1",OVRNDRQMDRJTHS-CBQIKETKSA-N
DB03568,107-92-6,Butyric Acid,"['experimental', 'investigational']",,,,1362696,,BUA,,ZINC000000895132,CHEMBL14227,26109,,30772,264,CCCC(O)=O,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",FERIUCNNQQJTOY-UHFFFAOYSA-N
DB03569,,"4,5-Dehydro-L-Iduronic Acid",experimental,,,,,,,,ZINC000100618372,,,,,54688710,[H][C@@]1(O)OC(C(O)=O)=C(O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1,3,6-9,12H,(H,10,11)/t1-,3+,6+/m0/s1",BPCLKHIDDIVGBM-QEMYTOFESA-N
DB03570,,Tris-Hydroxymethyl-Methyl-Ammonium,experimental,,,,,,144,,,,,,,4468930,C[N+](CO)(CO)CO,"InChI=1S/C4H12NO3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3/q+1",DRDCQJADRSJFFD-UHFFFAOYSA-N
DB03571,,"3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide",experimental,,,,,,45P,,ZINC000013559919,CHEMBL44803,50143043,,,135460975,NC1=NC2=NN(N=C2C(O)=N1)C1=CC(=CC=C1)C(=O)NCC1=CC(Cl)=CC(Cl)=C1,"InChI=1S/C18H13Cl2N7O2/c19-11-4-9(5-12(20)7-11)8-22-16(28)10-2-1-3-13(6-10)27-25-14-15(26-27)23-18(21)24-17(14)29/h1-7H,8H2,(H,22,28)(H3,21,23,24,26,29)",JMQTXEWNXSPEKX-UHFFFAOYSA-N
DB03572,,FR230513,experimental,,,,,,FR3,,ZINC000005974960,,,,,447341,[H][C@](CO)(CCC1=CC=CC2=C1C=CC=C2)N1C=NC(=C1)C(N)=O,"InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)/t15-/m1/s1",URGFTPMACWKJKU-OAHLLOKOSA-N
DB03573,,WRR-99,experimental,,,,,,R99,,ZINC000012503755,,,,,5289258,[H][C@](O)(CC(O)=O)C(=O)N[C@]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C,"InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16+/m1/s1",KVZMXOVSHIMGNA-CVEARBPZSA-N
DB03574,,Ferricrocin-iron,experimental,,,,,,FCI,,,,,,,,[Fe].[H][C@@]1(CCCN(O)C(C)=[OH+])NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@]([H])(CCCN(O)C(C)=[OH+])NC(=O)[C@]([H])(CCCN(O)C(C)=[OH+])NC1=O,"InChI=1S/C28H47N9O13.Fe/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38,48-50H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/p+3/t19-,20-,21-,22+;/m0./s1",QLXOENUMLPDRSK-AFXYHRJJSA-Q
DB03575,77-10-1,Phencyclidine,illicit,,,,,PA128406980,1PC,2121,ZINC000000968311,CHEMBL275528,83449,PHENCYCLIDINE,8058,6468,C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2",JTJMJGYZQZDUJJ-UHFFFAOYSA-N
DB03576,,N-Pyridoxyl-Threonine-5-Monophosphate,experimental,,,,,,TLP,,,,,,,3378336,CC(O)C(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,"InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)",IZWQBQLGLAKRMN-UHFFFAOYSA-N
DB03577,,Alpha-Benzyl-Aminobenzyl-Phosphonic Acid,experimental,,,,,,2BF,,,CHEMBL1186230,,,,447336,[H][C@](NCC1=CC=CC=C1)(C1=CC=CC=C1)P(O)(O)=O,"InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m1/s1",SLMGIUOAZCYKPE-CQSZACIVSA-N
DB03578,631-66-3,Pyruvamide,experimental,,,,,,PYM,,ZINC000001581119,,,,,79088,CC(=O)C(N)=O,"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)",FPOLWERNILTNDK-UHFFFAOYSA-N
DB03581,56-73-5,Glucose-6-Phosphate,experimental,,,,1541246,,G6Q,,ZINC000019850142,,,,15954,439958,O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6-/m0/s1",VFRROHXSMXFLSN-KCDKBNATSA-N
DB03582,,N~2~-Succinylornithine,experimental,,,,,,SUO,,,,,,27574,127370,NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O,"InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1",VWXQFHJBQHTHMK-LURJTMIESA-N
DB03583,,"(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one",experimental,,,,,,RYU,,ZINC000100033334,,,,,,[H]N1C(=O)\C(C2=C1C=CC(=C2)S(=O)(=O)N1CCC(O)CC1)=C1/N([H])C2=CC=CC=C2[C@]1(C)O,"InChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,23,26,28H,8-11H2,1H3,(H,24,27)/b20-19-/t22-/m0/s1",AYOAIABDFUJDKQ-SQJPUDIVSA-N
DB03584,,4-Thio-beta-D-glucopyranose,experimental,,,,,,SGC,,,,,,,445564,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(S)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1",KGSURTOFVLAWDC-QZABAPFNSA-N
DB03585,129-20-4,Oxyphenbutazone,"['withdrawn', 'approved']",,"['S01BC02', 'M02AA04', 'M01AA03']",,7816,PA450750,OPB,2036,,CHEMBL1228,200298,,76258,4641,CCCCC1C(=O)N(N(C1=O)C1=CC=C(O)C=C1)C1=CC=CC=C1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3",HFHZKZSRXITVMK-UHFFFAOYSA-N
DB03586,,"(3R,4R,5S,6R)-6-Fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate",experimental,,,,,,XYF,,,,,,,5289591,[H][C@]1(F)OC([O-])[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5?/m0/s1",CSWSGZBYLQUXQI-ZAMRNKCBSA-N
DB03587,78-98-8,Pyruvaldehyde,experimental,,,,1373350,,,,ZINC000001532681,CHEMBL170721,,,17158,880,CC(=O)C=O,"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",AIJULSRZWUXGPQ-UHFFFAOYSA-N
DB03588,117-34-0,Diphenylacetic acid,experimental,,,,,,DFA,,ZINC000000034687,CHEMBL1232181,,,41967,8333,OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)",PYHXGXCGESYPCW-UHFFFAOYSA-N
DB03589,473-90-5,Mesoxalic acid,experimental,,,,,,MAK,,ZINC000001532759,,,,30842,10132,OC(=O)C(=O)C(O)=O,"InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)",XEEVLJKYYUVTRC-UHFFFAOYSA-N
DB03590,,"2,6-Diaminopimelic Acid",experimental,,,,,,API,,ZINC000001532712,,,,16026,439283,N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O,"InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",GMKMEZVLHJARHF-WHFBIAKZSA-N
DB03591,,RU82209,experimental,,,,,,822,,ZINC000003964430,CHEMBL1160756,14693,,,447523,CC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,"InChI=1S/C31H34F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)(H2,40,41,42)/t27-,28-/m0/s1",LVZDQVATAQEMCX-NSOVKSMOSA-N
DB03592,,Pterin-6-Yl-Methyl-Monophosphate,experimental,,,,,,PMM,,ZINC000005973848,CHEMBL1159902,,,,135451578,NC1=NC2=NC=C(COP(O)(O)=O)N=C2C(=O)N1,"InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)",AJXFJEHKGGCFNM-UHFFFAOYSA-N
DB03593,,7-methyl-5'-guanylic acid,experimental,,,,,,G7M,,ZINC000004096273,,,,17825,135398701,C[N+]1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,"InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1",AOKQNZVJJXPUQA-KQYNXXCUSA-O
DB03594,63598-71-0,"1,2,4-Triazole",experimental,,,,,,TRI,,ZINC000005943507,CHEMBL15571,,,46077,9257,N1C=NC=N1,"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",NSPMIYGKQJPBQR-UHFFFAOYSA-N
DB03595,,CRA_9785,experimental,,,,,,785,,ZINC000038377601,,14357,,,447514,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(OC(F)(F)F)=CC=C1[O-],"InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,23H,(H3,19,20)(H,21,22)",PJUALJXOBAXGBO-UHFFFAOYSA-N
DB03596,,N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide,experimental,,,,,,SBB,,ZINC000005493884,,,,,5496599,[H][C@@](CC)(CNC(=O)C1=CC=C(C=C1)S(N)(=O)=O)C1=CC2=C(NC=C2)C=C1,"InChI=1S/C19H21N3O3S/c1-2-13(15-5-8-18-16(11-15)9-10-21-18)12-22-19(23)14-3-6-17(7-4-14)26(20,24)25/h3-11,13,21H,2,12H2,1H3,(H,22,23)(H2,20,24,25)/t13-/m1/s1",FSRPBGBMEKDSIJ-CYBMUJFWSA-N
DB03597,,gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine,experimental,,,,,,IBG,,ZINC000014880825,,,,,447108,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1I)C(=O)N([H])CC(O)=O)C(O)=O,"InChI=1S/C17H22IN3O6S/c18-11-4-2-1-3-10(11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1",QFYJAEOZTBVJQM-STQMWFEESA-N
DB03598,,"Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]",experimental,,,,,,INL,,ZINC000012503776,CHEMBL433921,11391,,,4369171,COC1=CC=CC(=C1)N1C(CN2CCOCC2)=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,"InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23)",XSUAVPPTKHUTDX-UHFFFAOYSA-N
DB03600,334-48-5,Capric acid,experimental,,,,22380,,DKA,,ZINC000001529229,CHEMBL107498,50239187,,30813,135373094,CCCCCCCCCC(O)=O,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",GHVNFZFCNZKVNT-UHFFFAOYSA-N
DB03601,578-86-9,5-deoxyflavanone,experimental,,,,,,DFV,,ZINC000000985403,CHEMBL252642,50241408,,28777,114829,OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC=C(O)C=C2O1,"InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1",FURUXTVZLHCCNA-AWEZNQCLSA-N
DB03602,,S-benzylglutathione,experimental,,,,,,GSB,,ZINC000003874918,,,,,445707,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1)C(=O)N([H])CC(O)=O)C(O)=O,"InChI=1S/C17H23N3O6S/c18-12(17(25)26)6-7-14(21)20-13(16(24)19-8-15(22)23)10-27-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,18H2,(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t12-,13-/m0/s1",XYJWEQWNNKNSFU-STQMWFEESA-N
DB03603,87-73-0,Glucaric acid,experimental,,,,,,GKR,,ZINC000005783661,CHEMBL1794737,,,16002,33037,O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1",DSLZVSRJTYRBFB-LLEIAEIESA-N
DB03604,51-24-1,Tiratricol,investigational,,"['H03AA04', 'D11AX08']",,13982,,4HY,3611,ZINC000004217580,CHEMBL41632,18862,TRIIODOTHYROACETIC ACID,,5803,OC(=O)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1,"InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)",UOWZUVNAGUAEQC-UHFFFAOYSA-N
DB03605,,"(2s)-2-[(2,4-Dichloro-Benzoyl)-(3-Trifluoromethyl-Benzyl)-Amino]-3-Phenyl-Propionic Acid",experimental,,,,,,153,,ZINC000001554205,CHEMBL24547,50126661,,,447368,[H][C@@](CC1=CC=CC=C1)(N(CC1=CC(=CC=C1)C(F)(F)F)C(=O)C1=C(Cl)C=C(Cl)C=C1)C(O)=O,"InChI=1S/C24H18Cl2F3NO3/c25-18-9-10-19(20(26)13-18)22(31)30(14-16-7-4-8-17(11-16)24(27,28)29)21(23(32)33)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,32,33)/t21-/m0/s1",LAJJKGIZTCCOHY-NRFANRHFSA-N
DB03606,85416-73-5,(S)-Rolipram,experimental,,,,,PA153906323,,,ZINC000002000919,CHEMBL325795,50042056,,59540,158758,[H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1,"InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m1/s1",HJORMJIFDVBMOB-GFCCVEGCSA-N
DB03607,,[(1R)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron,experimental,,,,,,CLB,,ZINC000195800700,,,,,17753902,CC(=O)N[C@@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)OC[C@H](N)C(O)=O,"InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1",RJXOEUFRQATKAB-RYUDHWBXSA-N
DB03608,536-71-0,Diminazene,experimental,,,,,,BRN,,ZINC000003830706,CHEMBL35241,50000999,DIMINAZENE,81724,2354,NC(=N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=N)C=C1,"InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)",XNYZHCFCZNMTFY-UHFFFAOYSA-N
DB03609,3608-58-0,3'-deoxyguanosine,experimental,,,,,,3DG,,ZINC000006119279,CHEMBL73502,50144937,,39874,135440068,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)C[C@H]1O,"InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1",OROIAVZITJBGSM-OBXARNEKSA-N
DB03610,402-45-9,4-(trifluoromethyl)phenol,experimental,,,,,,FCR,,ZINC000001847459,CHEMBL539165,,,42578,67874,OC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H",BAYGVMXZJBFEMB-UHFFFAOYSA-N
DB03611,,L-2-amino-4-methoxy-cis-but-3-enoic acid,experimental,,,,,,AMB,,,CHEMBL295971,50070637,,40719,5287671,[H]\C(OC)=C(/[H])[C@]([H])(N)C(O)=O,"InChI=1S/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2-/t4-/m0/s1",HLOPMQJRUIOMJO-SWOZAWMQSA-N
DB03612,,3-Hydroxybutyryl-Coenzyme A,experimental,,,,,,3HC,,,,,,37050,644065,CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1",QHHKKMYHDBRONY-RMNRSTNRSA-N
DB03613,,4-hydroxyphenacyl coenzyme A,experimental,,,,,,4CO,,ZINC000195757457,,,,,446968,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)C4=CC=C(O)C=C4)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-20(39)31-9-10-58-12-18(38)16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-11-19-23(53-55(43,44)45)22(40)28(52-19)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,19,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,39)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t19-,22-,23-,24+,28-/m1/s1",ZQLMPRRTUJBILA-VXAHOBLNSA-N
DB03614,13422-55-4,Mecobalamin,"['approved', 'investigational']",,B03BA05,D03246,29421,,COB,,,,,,28115,,C1(CC[C@@]2([C@@H](CC(N)=O)[C@@]3([C@@]4([N+]5=C([C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C(C)=C4[N+]6=C(C=C7[N+]8=C([C@H](C7(C)C)CCC(N)=O)C(C)=C2N3[Co-3]568([N+]2=CN([C@H]3O[C@@H]([C@@H](OP(O[C@@H](CN1)C)([O-])=O)[C@H]3O)CO)C1=CC(C)=C(C=C21)C)C)[C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C)[H])C)=O,"InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",JEWJRMKHSMTXPP-WZHZPDAFSA-L
DB03615,25546-65-0,Ribostamycin,"['experimental', 'approved']","['28685903', '924894']",J01GB10,D08478,,,RIO,3526,ZINC000053255716,CHEMBL221572,,,45257,33042,[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1",NSKGQURZWSPSBC-VVPCINPTSA-N
DB03616,,Kabiramide C,experimental,,,,,,KAB,,ZINC000263621247,,,,,5288658,[H]\C(=C(\[H])[C@@]([H])(C)[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@]([H])(C[C@]([H])(C)C[C@]([H])(O)[C@]([H])(C)[C@@]([H])(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)O[C@]([H])(N)O)OC)N(C)CO,"InChI=1S/C48H75N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-25,27-33,38-41,44-45,48,54,56,58H,13,15-16,19-22,26,49H2,1-11H3/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+,48+/m0/s1",XYKNXOJYKRVXBX-ZAUPHERQSA-N
DB03617,,Modified Acarbose Hexasaccharide,experimental,,,,,,ABC,,ZINC000263621316,,,,,449600,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O[C@]3([H])C(CO)=C[C@]([H])(N[C@]4([H])[C@@]([H])(C)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(C)O[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C37H63NO26/c1-8-15(18(44)25(51)34(57-8)63-31-13(6-40)59-36(27(53)22(31)48)61-29-10(3)56-33(55)24(50)21(29)47)38-12-4-11(5-39)30(20(46)17(12)43)62-37-28(54)23(49)32(14(7-41)60-37)64-35-26(52)19(45)16(42)9(2)58-35/h4,8-10,12-55H,5-7H2,1-3H3/t8-,9-,10-,12+,13-,14-,15-,16-,17+,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m1/s1",YXELUDMUQSCWQW-HCVSURSQSA-N
DB03618,,2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose,experimental,,,,,,,,ZINC000013545957,CHEMBL1234750,,,44331,656944,[H]N([C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(C)=O,"InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1",KFEUJDWYNGMDBV-RCBHQUQDSA-N
DB03619,83-44-3,Deoxycholic acid,approved,"['25684122', '25724831']",D11AX24,,3194,,DXC,4988,ZINC000003914810,CHEMBL406393,50375599,DWJ-211,28834,222528,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1",KXGVEGMKQFWNSR-LLQZFEROSA-N
DB03621,,"L-709,587",experimental,,,,,,587,,ZINC000169290591,,,,,5496872,[H]\C(=C(\C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@]([H])(C[C@@]2([H])C)OC)[C@]([H])(C[C@@]([H])(C)[C@]([H])(O)\C(C)=C([H])\[C@@]([H])(CC)C(=O)C[C@]([H])(O)[C@@]1([H])C)OC)[C@]1([H])CC[C@@]([H])(OC2=CC=C3N(C)C=CC3=C2)[C@@]([H])(C1)OC,"InChI=1S/C52H76N2O13/c1-11-35-23-29(2)46(57)30(3)24-44(63-9)48-45(64-10)25-32(5)52(61,67-48)49(58)50(59)54-20-13-12-14-39(54)51(60)66-47(33(6)40(55)28-41(35)56)31(4)22-34-15-18-42(43(26-34)62-8)65-37-16-17-38-36(27-37)19-21-53(38)7/h16-17,19,21-23,27,30,32-35,39-40,42-48,55,57,61H,11-15,18,20,24-26,28H2,1-10H3/b29-23+,31-22+/t30-,32-,33-,34+,35-,39+,40+,42-,43-,44+,45+,46-,47-,48-,52-/m1/s1",APSPCHLQXFEUHG-CPBVNLROSA-N
DB03622,,"5-[4-(2-Hydroxyethyl)-1-piperidinyl]-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione",experimental,,,,,,BBT,,ZINC000003580974,CHEMBL1231240,50028939,,,446505,OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)C1=CC=CC=C1,"InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24)",IPBPOBHSNJFRFT-UHFFFAOYSA-N
DB03623,,"9-(4-Hydroxyphenyl)-2,7-Phenanthroline",experimental,,,,,,9HP,,ZINC000002047421,CHEMBL248643,16017,,40444,447874,OC1=CC=C(C=C1)C1=CC2=C(C=CC3=C2C=NC=C3)N=C1,"InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H",IUSSGTWHFMSCOY-UHFFFAOYSA-N
DB03624,,7-(Carboxyamino)-8-Amino-Nonanoic Acid,experimental,,,,,,DSD,,ZINC000002046976,,,,,444640,C[C@H](N)[C@@H](CCCCCC(O)=O)NC(O)=O,"InChI=1S/C10H20N2O4/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)/t7-,8+/m0/s1",OQNJZSIPDMTUAJ-JGVFFNPUSA-N
DB03626,,"5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione",experimental,,,,,,340,,ZINC000006469947,CHEMBL94277,,,,4469805,COC1=CC(=O)C2=C(C(COC3=CC=CC=C3)=C(C)N2C)C1=O,"InChI=1S/C18H17NO4/c1-11-13(10-23-12-7-5-4-6-8-12)16-17(19(11)2)14(20)9-15(22-3)18(16)21/h4-9H,10H2,1-3H3",JRPJCFILHCLEJI-UHFFFAOYSA-N
DB03627,,Adamantane,experimental,,,,,,ADM,,,,,,,,C1C2CC3CC1CC(C2)C3,"InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+",ORILYTVJVMAKLC-YNFQOJQRSA-N
DB03628,,ISO24,experimental,,,,,,IS2,,,CHEMBL284362,14687,,,447534,CCC1=CC=C(NC(=O)P(O)(O)=O)C=C1,"InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14)",KGNSYMGWPCEFDZ-UHFFFAOYSA-N
DB03629,,Pyridoxal-5'-Phosphate-N-Oxide,experimental,,,,,,NOP,,ZINC000033367564,,,,,3253681,CC1=C(O)C(C=O)=C(COP(O)(O)=O)C=[N+]1[O-],"InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)",BBWRYPTUKZTWFD-UHFFFAOYSA-N
DB03630,,2-Iodobenzylthio Group,experimental,,,,,,IBZ,,ZINC000012503791,,,,,444808,SCC1=CC=CC=C1I,"InChI=1S/C7H7IS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2",KVYARXTXGITUCU-UHFFFAOYSA-N
DB03631,,"3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine",experimental,,,,,,TYY,,,,,,,,[H]N=C1C=C(C[C@H](N)C(O)=O)C(=O)C=C1O,"InChI=1S/C9H10N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,10,13H,2,11H2,(H,14,15)/b10-5-/t6-/m0/s1",FKLZKBKFGLLJJV-HPWAZMHGSA-N
DB03632,243975-37-3,Argifin,experimental,,,,,,,,ZINC000024693182,CHEMBL197199,50173286,,,449124,CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](CC2=CC=CC=C2)N(C)C1=O)C(O)=O)C(O)=O,"InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1",UHBHXSDKGLPPGO-HTDHLNIYSA-N
DB03633,,Lpc-Ether,experimental,,,,,,LPE,,ZINC000008860508,,,,,446876,CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C,"InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1",XKBJVQHMEXMFDZ-AREMUKBSSA-O
DB03634,,"1,3-DI(N-Propyloxy-A-mannopyranosyl)-carbomyl 5-methyazido-benzene",experimental,,,,,,EJT,,ZINC000058649998,,,,,5288155,[H]N(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)C1=CC(=CC(CN=[N+]=[N-])=C1)C(=O)N([H])CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C27H41N5O14/c28-32-31-10-13-7-14(24(41)29-3-1-5-43-26-22(39)20(37)18(35)16(11-33)45-26)9-15(8-13)25(42)30-4-2-6-44-27-23(40)21(38)19(36)17(12-34)46-27/h7-9,16-23,26-27,33-40H,1-6,10-12H2,(H,29,41)(H,30,42)/t16-,17-,18-,19-,20+,21+,22+,23+,26+,27+/m1/s1",GKRIMQPDERYOML-LHMXEDMUSA-N
DB03635,594-45-6,Ethanesulfonic acid,experimental,,,,,,ESA,,ZINC000003861350,,,,42465,11668,CCS(O)(=O)=O,"InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)",CCIVGXIOQKPBKL-UHFFFAOYSA-N
DB03636,598-41-4,Glycinamide,experimental,,,,,,GM1,,ZINC000035874641,CHEMBL86954,,,42843,69020,NCC(N)=O,"InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)",BEBCJVAWIBVWNZ-UHFFFAOYSA-N
DB03637,,Guanidine-3-propanol,experimental,,,,,,PG3,,,,,,,448503,[H]N([H])C(N([H])[H])=[N+]([H])CCCO,"InChI=1S/C4H11N3O/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)/p+1",JDXXTKLHHZMVIO-UHFFFAOYSA-O
DB03638,,Cytidyl-2'-5'-phospho-guanosine,experimental,,,,,,CG2,,,,,,,135488898,[H]N([H])C1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N([H])C(=NC2=O)N([H])[H],"InChI=1S/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-13(11(30)6(3-28)37-17)39-40(34,35)36-4-7-10(29)12(31)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1",QZDUXDLOEVJGDG-VMIOUTBZSA-N
DB03639,,1-Guanidinium-7-Aminoheptane,experimental,,,,,,GC7,,ZINC000019331254,,,,,5288371,NCCCCCCCNC(N)N,"InChI=1S/C8H22N4/c9-6-4-2-1-3-5-7-12-8(10)11/h8,12H,1-7,9-11H2",SKGAVCHIFDRDTK-UHFFFAOYSA-N
DB03640,,Beta-Hydroxyaspartic Acid,experimental,,,,,,BH2,,ZINC000000901877,CHEMBL3317781,50055467,,17576,14463,N[C@@H]([C@@H](O)C(O)=O)C(O)=O,"InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1",YYLQUHNPNCGKJQ-NHYDCYSISA-N
DB03641,,"2'-deoxyuridine 5'-alpha,beta-imido-diphosphate",experimental,,,,,,DUN,,,,,,,449098,[H]N(P(O)(O)=O)P(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)N([H])C1=O,"InChI=1S/C9H15N3O10P2/c13-5-3-8(12-2-1-7(14)10-9(12)15)22-6(5)4-21-24(19,20)11-23(16,17)18/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H4,11,16,17,18,19,20)/t5-,6+,8+/m0/s1",COFNIXBQVWFHTR-SHYZEUOFSA-N
DB03642,,N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide,experimental,,,,,,2CA,,ZINC000003934226,CHEMBL286364,19769,,,5287468,CC(C)C[C@H](NC(=O)C1=CC2=C(O1)C=CC=C2)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)C1=CC=CC=N1,"InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1",VBPPNJCVXGAZDD-PMACEKPBSA-N
DB03643,,CRA_1144,experimental,,,,,,CR4,,ZINC000006040624,CHEMBL433501,50100897,,,1506,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC=C1[O-],"InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)",URJKRCBBKTXOHS-UHFFFAOYSA-N
DB03644,548-93-6,3-hydroxyanthranilic acid,experimental,,,,,,3HA,,ZINC000000388292,CHEMBL445304,,,15793,86,NC1=C(O)C=CC=C1C(O)=O,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",WJXSWCUQABXPFS-UHFFFAOYSA-N
DB03645,,Phosphonoacetohydroxamic Acid,experimental,,,,,,PAH,,ZINC000005828202,CHEMBL328944,204923,,44692,445375,ONC(=O)CP(O)(O)=O,"InChI=1S/C2H6NO5P/c4-2(3-5)1-9(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)",LDKRAXXVBWHMRH-UHFFFAOYSA-N
DB03646,,"2,3-di-O-phytanyl-sn-glycerol",experimental,,,,,,L2P,,ZINC000058638725,,,,34227,446373,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@@]([H])(C)CCOC[C@@]([H])(CO)OCC[C@]([H])(C)CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C,"InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1",ISDBCJSGCHUHFI-UMZPFTBHSA-N
DB03647,,3-[Isopropyl(4-Methylbenzoyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid,experimental,,,,,,IPC,,ZINC000003648491,CHEMBL168083,50139688,,43541,503535,CC(C)N(C(=O)C1=CC=C(C)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)",LRHXIDOGMBZJFN-UHFFFAOYSA-N
DB03648,,"(2S,2'S)-2,2'-(1,2-Hydrazinediylbis{methylene[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phenylhexanamide)",experimental,,,,,,BL5,,,,,,,448368,[H]N([H])CCCC[C@H](N([H])C(=O)[C@@H](CCCC)CN([H])N([H])C[C@@H](CCCC)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])C1=CC=CC=C1)C(=O)N([H])C1=CC=CC=C1,"InChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30+,33-,34-/m0/s1",YFMXWONORHSZEM-DDOVKQMLSA-N
DB03649,,"[{(5-Chloro-2-Pyridinyl)Amino} Methylene]-1,1-Bisphosphonate",experimental,,,,,,CBQ,,,CHEMBL54714,50115109,,,6313595,OP(O)(=O)C(NC1=CC=C(Cl)C=N1)P(O)(O)=O,"InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)",BNMYZGAZFGNKTH-UHFFFAOYSA-N
DB03650,,(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One,experimental,,,,,,LI7,,ZINC000018137759,,,,,135406167,OC1=CC=C(C=C1)\N=C1/C(=O)NC2=CC=CC=C12,"InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)",ZJASRZFZRYISET-UHFFFAOYSA-N
DB03651,88-89-1,Picric acid,experimental,,,,1320642,,TNF,4626,ZINC000001883067,CHEMBL108541,34612,,46149,6954,OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H",OXNIZHLAWKMVMX-UHFFFAOYSA-N
DB03652,18968-14-4,beta-D-Galactopyranuronic acid,experimental,,,,,,GTR,,ZINC000004097542,,,,47954,441476,O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1",AEMOLEFTQBMNLQ-DTEWXJGMSA-N
DB03653,,"5-{[Ethyl(Methyl)Amino]Methyl}-2-Methyl-5,6-Dihydropyrimidin-4-Amine",experimental,,,,,,YF4,,ZINC000005839322,,,,,448672,CCN(C)CC1=CN=C(C)N=C1N,"InChI=1S/C9H16N4/c1-4-13(3)6-8-5-11-7(2)12-9(8)10/h5H,4,6H2,1-3H3,(H2,10,11,12)",UMZINNCUCWRLDQ-UHFFFAOYSA-N
DB03654,,"S,S-Propylthiocysteine",experimental,,,,,,PR3,,ZINC000053684033,,,,,17754128,[H][C@](N)(CSSCCC)C=O,"InChI=1S/C6H13NOS2/c1-2-3-9-10-5-6(7)4-8/h4,6H,2-3,5,7H2,1H3/t6-/m1/s1",JOUZYBMKOXDVCY-ZCFIWIBFSA-N
DB03656,101200-48-0,Tribenuron Methyl,experimental,,,,,,1TB,,ZINC000000900618,CHEMBL1229780,50424586,,9678,153909,COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N(C)C1=NC(C)=NC(OC)=N1,"InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)",VLCQZHSMCYCDJL-UHFFFAOYSA-N
DB03657,188679-87-0,1-deoxy-1-methoxycarbamido-beta-D-glucopyranose,experimental,,,,,,CR1,,ZINC000004134468,CHEMBL134529,50363873,,,445722,COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1",IZZJOGWXTFEDLL-XUUWZHRGSA-N
DB03658,,"(2R,4S)-2-[(1R)-1-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",experimental,,,,,,AXL,,ZINC000033821208,,,,,5287717,[H]N([H])[C@@H](C(=O)N([H])[C@H](C=O)[C@@]1([H])SC(C)(C)[C@@H](N1[H])C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C16H21N3O5S/c1-16(2)12(15(23)24)19-14(25-16)10(7-20)18-13(22)11(17)8-3-5-9(21)6-4-8/h3-7,10-12,14,19,21H,17H2,1-2H3,(H,18,22)(H,23,24)/t10-,11-,12+,14-/m1/s1",SMLJDSWXGVMNTH-NRWUCQMLSA-N
DB03659,109-73-9,Butylamine,experimental,,,,,,LYT,,ZINC000001586365,CHEMBL13968,,,43799,8007,CCCCN,"InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3",HQABUPZFAYXKJW-UHFFFAOYSA-N
DB03660,24250-85-9,4-Iodo-L-phenylalanine,experimental,,,,,,PHI,,ZINC000000391104,,,,44964,134497,[H][C@](N)(CC1=CC=C(I)C=C1)C(O)=O,"InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1",PZNQZSRPDOEBMS-QMMMGPOBSA-N
DB03661,498-40-8,L-cysteic acid,experimental,,,,,,OCS,,ZINC000004228276,,,,17285,72886,N[C@@H](CS(O)(=O)=O)C(O)=O,"InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",XVOYSCVBGLVSOL-REOHCLBHSA-N
DB03662,,Vitamin B6 Complexed with 2-Amino-Pentanoic Acid,experimental,,,,,,PY5,,ZINC000002047162,,,,,444861,CCC[C@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O,"InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1",YYAMSLLSQINIQO-NSHDSACASA-N
DB03663,,"1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol",experimental,,,,,,MBP,,ZINC000003814457,CHEMBL272690,5482,,,445940,CC(C)C(=O)COC1=NC(N)=NC2=C1NC=N2,"InChI=1S/C10H13N5O2/c1-5(2)6(16)3-17-9-7-8(13-4-12-7)14-10(11)15-9/h4-5H,3H2,1-2H3,(H3,11,12,13,14,15)",BEXUQVHWMLPYKY-UHFFFAOYSA-N
DB03664,,P1-(adenosine-5'-P5-(uridine-5')pentaphosphate,experimental,,,,,,UP5,,ZINC000263620318,,,,,448894,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=CC(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C19H28N7O24P5/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(31)12(29)8(46-18)4-44-52(35,36)48-54(39,40)50-55(41,42)49-53(37,38)47-51(33,34)43-3-7-11(28)13(30)17(45-7)25-2-1-9(27)24-19(25)32/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,20,21,22)(H,24,27,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1",CPTLFMDLEWCNMJ-KPKSGTNCSA-N
DB03666,29706-85-2,Zidovudine monophosphate,experimental,,,,,,ATM,,ZINC000012503817,CHEMBL257695,50478975,,,65374,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1",OIFWQOKDSPDILA-XLPZGREQSA-N
DB03667,,Acetic Acid Salicyloyl-Amino-Ester,experimental,,,,,,SCL,,ZINC000002046853,,,,,445302,CC(=O)ONC(=O)C1=C(O)C=CC=C1,"InChI=1S/C9H9NO4/c1-6(11)14-10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,13)",PCFWLDHLJWUGSU-UHFFFAOYSA-N
DB03668,,6-oxouridine 5'-phosphate,experimental,,,,,,BMQ,,ZINC000001559604,CHEMBL1231399,,,41150,445132,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O,"InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1",AODYJUNLDJOADV-YXZULKJRSA-N
DB03669,,4-Fluorophenethyl Alcohol,experimental,,,,,,4FA,,ZINC000000388332,,,,,82068,OCCC1=CC=C(F)C=C1,"InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2",MWUVGXCUHWKQJE-UHFFFAOYSA-N
DB03670,,"2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid",experimental,,,,,,OTA,,ZINC000001551920,CHEMBL139393,50118792,,,444766,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CNCC2)S1,"InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)",ZIBMATWHOAGNTR-UHFFFAOYSA-N
DB03671,1672-46-4,Digoxigenin,experimental,,,,,,DOG,,ZINC000003982471,CHEMBL1153,225707,,42098,15478,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)C1=CC(=O)OC1,"InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1",SHIBSTMRCDJXLN-KCZCNTNESA-N
DB03672,,9-N-Phenylmethylamino-Tacrine,experimental,,,,,,760,,ZINC000003871299,CHEMBL215344,199182,,,1933,C(NC1=C2C=CC=CC2=NC2=C1CCCC2)C1=CC=CC=C1,"InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)",JYJAEHAURXXPSD-UHFFFAOYSA-N
DB03673,22951-96-8,beta-2-Thienyl-L-alanine,experimental,,,,,,TIH,,ZINC000004141711,CHEMBL1236302,,,,146719,N[C@@H](CC1=CC=CS1)C(O)=O,"InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1",WTOFYLAWDLQMBZ-LURJTMIESA-N
DB03675,,"2,3-Dihydroxy-Valerianic Acid",experimental,,,,,,DMV,,,,,,27512,448154,CC[C@@](C)(O)[C@@H](O)C(O)=O,"InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1",PDGXJDXVGMHUIR-UJURSFKZSA-N
DB03676,,Cystein-S-Yl Cacodylate,experimental,,,,,,CAF,,,,,,,17753879,[H][C@](N)(CS[As](C)(C)=O)C(O)=O,"InChI=1S/C5H12AsNO3S/c1-6(2,10)11-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1",HBKZDQYWGRUTJX-BYPYZUCNSA-N
DB03677,,N-Cyclohexyl-N'-Decylurea,experimental,,,,,,CDU,,ZINC000014880861,CHEMBL67158,50143925,,,4359,CCCCCCCCCCNC(=O)NC1CCCCC1,"InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-12-15-18-17(20)19-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H2,18,19,20)",LPXYBLIRYGCMPQ-UHFFFAOYSA-N
DB03678,,"(6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine",experimental,,,,,,UNN,,ZINC000012503826,CHEMBL42632,50078304,,,5496989,C[C@H](NC1=NC=NC2=C1C=C(F)C(F)=C2)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1",WVGZKPGUHOZIJQ-HNNXBMFYSA-N
DB03679,,2-Hydroxy-Tryptophan,experimental,,,,,,TRO,,ZINC000100020157,,,,74690,17754204,[H][C@](N)(CC1=C(O)NC2=CC=CC=C12)C(O)=O,"InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1",VAUYGGXCASQWHK-QMMMGPOBSA-N
DB03680,,Tartronate,experimental,,,,,,TTN,,,,,,17649,44,OC(C([O-])=O)C([O-])=O,"InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2",ROBFUDYVXSDBQM-UHFFFAOYSA-L
DB03682,,"Dibenzofuran-4,6-Dicarboxylic Acid",experimental,,,,,,DBF,,,,,,,3022,OC(=O)C1=CC=CC2=C1OC1=C2C=CC=C1C(O)=O,"InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18)",HBBGSNOHAGNQRQ-UHFFFAOYSA-N
DB03683,,2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid,experimental,,,,,,STN,,ZINC000006352198,,,,,5289415,[H][C@@](CC(C)C)(CN(O)C=O)C(O)=O,"InChI=1S/C8H15NO4/c1-6(2)3-7(8(11)12)4-9(13)5-10/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t7-/m1/s1",LFMOJNDZFCHHPV-SSDOTTSWSA-N
DB03685,58-97-9,Uridine monophosphate,experimental,,,,,,U,,ZINC000002123545,CHEMBL214393,50398699,,16695,6030,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",DJJCXFVJDGTHFX-XVFCMESISA-N
DB03686,6803-19-6,S-(4-nitrobenzyl)glutathione,experimental,,,,,,GTB,,ZINC000003874914,,,,87407,97538,N[C@@H](CCC(=O)N[C@@H](CSCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1",OAWORKDPTSAMBZ-STQMWFEESA-N
DB03687,263016-94-0,4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol,experimental,,,,,,CDM,,ZINC000008419042,CHEMBL1231708,,,16578,443199,C[C@](O)(CO)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,"InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1",YFAUKWZNPVBCFF-XHIBXCGHSA-N
DB03688,503-66-2,Hydracrylic acid,experimental,,,,,,3OH,,ZINC000000895452,CHEMBL1205969,,,33404,68152,OCCC(O)=O,"InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)",ALRHLSYJTWAHJZ-UHFFFAOYSA-N
DB03690,,"(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide",experimental,,,,,,PCW,,ZINC000085546471,,,,52360,448653,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1",SNKAWJBJQDLSFF-NVKMUCNASA-O
DB03691,,WRR-112,experimental,,,,,,RL2,,ZINC000012503756,,,,,5289294,[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C,"InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16-/m0/s1",KVZMXOVSHIMGNA-HOTGVXAUSA-N
DB03692,,1-Hexadecanosulfonyl-O-L-Serine,experimental,,,,,,S1H,,ZINC000014880865,,,,,17754154,[H][C@](N)(COS(=O)(=O)CCCCCCCCCCCCCCCC)C(O)=O,"InChI=1S/C19H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(23,24)25-17-18(20)19(21)22/h18H,2-17,20H2,1H3,(H,21,22)/t18-/m0/s1",NKAIXQDVYXAWPS-SFHVURJKSA-N
DB03693,,N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide,experimental,,,,,,CKI,,ZINC000006415144,CHEMBL489157,92674,,47322,129236,NCCNS(=O)(=O)C1=CC=C(Cl)C2=C1C=NC=C2,"InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2",OGKYMFFYOWUTKV-UHFFFAOYSA-N
DB03694,103-85-5,N-phenylthiourea,experimental,,,,,,URS,,ZINC000003875720,CHEMBL263376,50240041,,46261,676454,NC(=S)NC1=CC=CC=C1,"InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",FULZLIGZKMKICU-UHFFFAOYSA-N
DB03695,72732-56-0,Piritrexim,investigational,,,,,,MXA,,ZINC000000000640,CHEMBL7492,18224,PIRITREXIM,,54369,COC1=CC(CC2=C(C)C3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1,"InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)",VJXSSYDSOJBUAV-UHFFFAOYSA-N
DB03696,79-63-0,Lanosterol,experimental,,,,1442199,,LAN,,ZINC000003870056,CHEMBL225111,50459238,,16521,246983,[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",CAHGCLMLTWQZNJ-BQNIITSRSA-N
DB03697,,4-Sulfonamide-[1-(4-Aminobutane)]Benzamide,experimental,,,,,,SAB,,,CHEMBL331282,,,,1758,NCCCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)",ZDYFRIZTYRFPJC-UHFFFAOYSA-N
DB03698,,5-Mercaptoethanol-2-decenoyl-coenzyme A,experimental,,,,,,MDE,,ZINC000195849543,,,,,49867291,CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCN[C@H](O)C(=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)[N+]1=CNC2=C(N)N=CN=C12)SCC=O,"InChI=1S/C33H54N7O18P3S2/c1-4-5-6-8-21(62-16-14-41)9-7-10-24(43)63-15-13-35-23(42)11-12-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h7,10,14,19-22,26-27,31-32,36,44,46H,4-6,8-9,11-13,15-18H2,1-3H3,(H7,34,35,37,38,42,47,48,49,50,51,52,53)/p+1/b10-7+/t21-,22+,26+,27+,31+,32+/m0/s1",IJSMUHMCIYOVMM-UAQBTBCQSA-O
DB03699,604-98-8,Succinyl-Coenzyme A,experimental,,,,,,SCA,,ZINC000008551116,,,,15380,92133,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O,"InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1",VNOYUJKHFWYWIR-ITIYDSSPSA-N
DB03700,632-20-2,D-Threonine,experimental,,,,,,2TL,,ZINC000000895399,CHEMBL319354,,,58645,90624,C[C@@H](O)[C@@H](N)C(O)=O,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1",AYFVYJQAPQTCCC-PWNYCUMCSA-N
DB03701,67469-69-6,Vanoxerine,investigational,,,,,,,,ZINC000022034135,CHEMBL281594,22165,VANOXERINE,64089,3455,FC1=CC=C(C=C1)C(OCCN1CCN(CCCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1,"InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2",NAUWTFJOPJWYOT-UHFFFAOYSA-N
DB03702,,"N-{4-[(Carboxymethyl)carbamoyl]benzoyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide",experimental,,,,,,FR1,,ZINC000003951728,,,,,5288240,[H]N(CC(O)=O)C(=O)C1=CC=C(C=C1)C(=O)N([H])[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](C(C)C)C(=O)C(F)(F)F,"InChI=1S/C26H33F3N4O7/c1-13(2)19(21(36)26(27,28)29)31-24(39)17-6-5-11-33(17)25(40)20(14(3)4)32-23(38)16-9-7-15(8-10-16)22(37)30-12-18(34)35/h7-10,13-14,17,19-20H,5-6,11-12H2,1-4H3,(H,30,37)(H,31,39)(H,32,38)(H,34,35)/t17-,19-,20-/m0/s1",MRTSIBBMOWLRPY-IHPCNDPISA-N
DB03703,108-93-0,Cyclohexanol,experimental,,,,2099711,,CXL,,ZINC000001532765,CHEMBL32010,,,18099,7966,OC1CCCCC1,"InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",HPXRVTGHNJAIIH-UHFFFAOYSA-N
DB03704,505-95-3,12-Hydroxydodecanoic Acid,experimental,,,,,,12H,,ZINC000001531061,CHEMBL55068,50511009,,39567,79034,OCCCCCCCCCCCC(O)=O,"InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)",ZDHCZVWCTKTBRY-UHFFFAOYSA-N
DB03705,,6-Methylamino-5-Nitroisocytosine,experimental,,,,,,680,,ZINC000018086542,CHEMBL56190,18068,,,135509070,CNC1=C(C(=O)NC(N)=N1)[N+]([O-])=O,"InChI=1S/C5H7N5O3/c1-7-3-2(10(12)13)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)",NMCMUSAXKISTKW-UHFFFAOYSA-N
DB03706,,1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane,experimental,,,,,,EPY,,ZINC000012503844,,,,,17753973,N[C@@H](CCC(=O)N[C@@H](CS[C@@H](CO)COC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-13(8-24)9-33-12-3-1-11(2-4-12)23(31)32/h1-4,13-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1",YWXHXYSGHBAIBL-KKUMJFAQSA-N
DB03707,,S-Ethyl-N-Phenyl-Isothiourea,experimental,,,,,,PTU,,ZINC000006001367,CHEMBL451666,50058459,,,347590,CCS\C(N)=N\C1=CC=CC=C1,"InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)",LAXNJIWNBHHMDO-UHFFFAOYSA-N
DB03708,485-84-7,Adenosine 5'-phosphosulfate,"['experimental', 'investigational']",,,,,,ADX,,ZINC000004228246,CHEMBL572546,,,17709,10238,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1",IRLPACMLTUPBCL-KQYNXXCUSA-N
DB03709,150-25-4,Bicine,experimental,,,,,,BCN,,ZINC000001683490,,,,40957,8761,OCCN(CCO)CC(O)=O,"InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)",FSVCELGFZIQNCK-UHFFFAOYSA-N
DB03710,,[(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium,experimental,,,,,,VIO,,,,,,,131704256,CCC\C(N)=N/CCC[C@H]([NH3+])C(O)=O,"InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/p+1/t7-/m0/s1",KRILJVOCVSUPMA-ZETCQYMHSA-O
DB03711,,6-Hydroxy-6-Methyl-Heptan-3-One,experimental,,,,,,LTL,,,,,,,129891,CCC(=O)CCC(C)(C)O,"InChI=1S/C8H16O2/c1-4-7(9)5-6-8(2,3)10/h10H,4-6H2,1-3H3",FGPMBONEKHYAHO-UHFFFAOYSA-N
DB03712,,RU85053,experimental,,,,,,853,,ZINC000014880878,CHEMBL432359,14694,,,447524,CC(=O)N[C@@H](CC1=CC(C(O)=O)=C(CC(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,"InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1",CEKLBQMULVLLTD-VMPREFPWSA-N
DB03714,,4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid,experimental,,,,,,TPI,,ZINC000002047328,,,,,444695,[H][C@@](CCC(O)=O)(NC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O)C(N)=O,"InChI=1S/C17H17F2N2O7P/c18-17(19,29(26,27)28)12-4-3-9-7-11(2-1-10(9)8-12)16(25)21-13(15(20)24)5-6-14(22)23/h1-4,7-8,13H,5-6H2,(H2,20,24)(H,21,25)(H,22,23)(H2,26,27,28)/t13-/m0/s1",OWWCIKSGGKYNHT-ZDUSSCGKSA-N
DB03716,,5'-Fluoro-5'-Deoxyadenosine,experimental,,,,,,5FD,,ZINC000005941240,CHEMBL1212979,,,12060,448403,NC1=C2N=CN([C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1",QPVLKMICBYRPSX-KQYNXXCUSA-N
DB03717,284045-95-0,"3-Hydroxy-4-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-piperidin-2-one",experimental,,,,,,XIL,,ZINC000005847806,,,,,446394,[H]N1CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C1=O,"InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5-,6+,7+,8-,10+/m1/s1",BHZMHPRIYUPDCT-BQWZOORQSA-N
DB03718,2018-19-1,6-aza uridine 5'-monophosphate,experimental,,,,,,UP6,,ZINC000012503861,CHEMBL463480,21340,,46319,150959,[H][C@@]1(O)[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1N=CC(=O)NC1=O,"InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1",LRVZOSYMNMNQFR-SHUUEZRQSA-N
DB03719,,N-Ethyl-5'-Carboxamido Adenosine,experimental,,,,,,NEC,,ZINC000005585583,CHEMBL1513348,,,,6604901,CCNC(=O)[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7-,8-,12-/m1/s1",JADDQZYHOWSFJD-BMYQGPEFSA-N
DB03720,71018-10-5,"alpha,beta-Dehydroaminobutyric acid",experimental,,,,,,DBU,,,,,,18820,6449989,C\C=C(/N)C(O)=O,"InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-",PAWSVPVNIXFKOS-IHWYPQMZSA-N
DB03721,21646-00-4,N-acetyl-alpha-neuraminic acid,experimental,,,,,,SIA,,ZINC000004081651,CHEMBL1234621,,,49026,444885,[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1",SQVRNKJHWKZAKO-YRMXFSIDSA-N
DB03722,,"3,4-Dihydro-5-Methyl-Isoquinolinone",experimental,,,,,,DHQ,,ZINC000003803136,CHEMBL125200,27682,,41928,148140,CC1=CC=CC2=C1CCNC2=O,"InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)",RLLZPXDJYADIEU-UHFFFAOYSA-N
DB03723,2147-59-3,2'-Deoxy-thymidine-beta-L-rhamnose,experimental,,,,,,TRH,,ZINC000008218444,,,,15774,121966,C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15+/m0/s1",ZOSQFDVXNQFKBY-CGAXJHMRSA-N
DB03724,,"(1s,2s)-1-Amino-1-(1,3-Thiazol-2-Yl)Propan-2-Ol",experimental,,,,,,XAA,,ZINC000031976670,,,,,445279,[H][C@](C)(O)[C@]([H])(N)C1=NC=CS1,"InChI=1S/C6H10N2OS/c1-4(9)5(7)6-8-2-3-10-6/h2-5,9H,7H2,1H3/t4-,5+/m1/s1",QWDNYLFSFTUIKH-UHNVWZDZSA-N
DB03725,13912-93-1,5'-Guanylylmethylenebisphosphonate,experimental,,,,,,GCP,,ZINC000008220535,,,,1963,135398731,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1",PHBDHXOBFUBCJD-KQYNXXCUSA-N
DB03726,,Purine Riboside-5'-Monophosphate,experimental,,,,,,P5P,,ZINC000015614364,CHEMBL96862,50004699,,45262,444450,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1",MCWDCZIDTUQRHK-FDDDBJFASA-N
DB03727,,Coproporphyrin I,experimental,,,,,,1CP,,,,,,28421,,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3C,"InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-",VORBHEGMEBOMMB-JRHDEHKPSA-N
DB03728,74-11-3,p-Chlorobenzoic acid,experimental,,,,,,174,,ZINC000000156865,CHEMBL618,50405318,,30747,6318,OC(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",XRHGYUZYPHTUJZ-UHFFFAOYSA-N
DB03729,51276-85-8,2-Amino-1H-benzimidazol-5-ol,experimental,,,,,,172,,ZINC000005117282,CHEMBL126589,50092659,,,162636,NC1=NC2=C(N1)C=C(O)C=C2,"InChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H3,8,9,10)",FNSYWIPPPFVBAV-UHFFFAOYSA-N
DB03730,,"3,9-Dimethyladenine",experimental,,,,,,39A,,,,,,,447936,CN1C=NC2=C1[N+](C)=CN=C2N,"InChI=1S/C7H9N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3-4,8H,1-2H3/p+1",YXTNRNJPEDJTNF-UHFFFAOYSA-O
DB03731,,S-2-(Boronoethyl)-L-Cysteine,experimental,,,,,,S2C,,ZINC000195757320,,,,,446122,[H][C@](N)(CSCC[B-](O)(O)O)C(O)=O,"InChI=1S/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10,11)12/h4,10-12H,1-3,7H2,(H,8,9)/q-1/t4-/m0/s1",XLVRIIJULVQAMP-BYPYZUCNSA-N
DB03732,,Etheno-Nadp,experimental,,,,,,ENP,,ZINC000024631640,,,,,49866945,[H][C@@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C3N=CN3C=CN=C43)[C@]([H])(OP(O)(O)=O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C17H24N5O17P3/c23-10-7(37-17(26)12(10)25)3-34-41(30,31)39-42(32,33)35-4-8-11(24)13(38-40(27,28)29)16(36-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-26H,3-4H2,(H,30,31)(H,32,33)(H2,27,28,29)/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1",KWEQFQACRLGUSH-QJWJOKBXSA-N
DB03733,107-06-2,Ethylene Dichloride,experimental,,,,,,DCE,,ZINC000008220695,CHEMBL16370,,,27789,11,ClCCCl,InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2,WSLDOOZREJYCGB-UHFFFAOYSA-N
DB03734,,Xylarohydroxamate,experimental,,,,,,XYH,,,,,,,5289593,ONC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,"InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/p-1/t1-,2-,3+/m0/s1",DMGBHBFPSRKPBV-XZIMBLGRSA-M
DB03735,,9-(2-Deoxy-Beta-D-Ribofuranosyl)-6-Methylpurine,experimental,,,,,,MDR,,ZINC000006069212,CHEMBL1234254,,,,97184,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=NC2=C(C)N=CN=C12,"InChI=1S/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9+/m0/s1",SJXRKKYXNZWKDB-DJLDLDEBSA-N
DB03736,,2-Cyclopropylmethylenepropanal,experimental,,,,,,,,,,,,,5287974,[H][C@](C)(CC1CC1)C=O,"InChI=1S/C7H12O/c1-6(5-8)4-7-2-3-7/h5-7H,2-4H2,1H3/t6-/m0/s1",NOQCSSAEKDLHCI-LURJTMIESA-N
DB03737,,"4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-[1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One",experimental,,,,,,FMD,,ZINC000014947116,CHEMBL354634,10109,,,5288222,[H][C@](C)(O)[C@]([H])(N)[C@]([H])(O)C#CC1=C(F)C=CC2=C1\C(=C\C1=C(OC)C=CN1)C(=O)N2,"InChI=1S/C20H20FN3O4/c1-10(25)19(22)16(26)6-3-11-13(21)4-5-14-18(11)12(20(27)24-14)9-15-17(28-2)7-8-23-15/h4-5,7-10,16,19,23,25-26H,22H2,1-2H3,(H,24,27)/b12-9-/t10-,16-,19+/m1/s1",RAKYKJWUUUKCCW-MPLBGYFPSA-N
DB03738,,Pantothenoylaminoethenethiol,experimental,,,,,,PCO,,ZINC000103552970,,,,,447227,[H]N(CCC(=O)N([H])\C=C/S)C(=O)[C@H](O)C(C)(C)CO,"InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5-/t9-/m0/s1",GVPONLWGQFZYSV-UDIARPCQSA-N
DB03739,,3-Hydroxyimino Quinic Acid,experimental,,,,,,FA6,,,CHEMBL363381,,,,9584748,[H][C@@]1(O)C[C@@](O)(C\C(=N/O)[C@@]1([H])O)C(O)=O,"InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3+/t4-,5-,7+/m1/s1",WASIBXJFRXJWAR-GKQOBJDDSA-N
DB03740,10036-64-3,N-acetyl-alpha-D-glucosamine,experimental,,,,2280292,,NDG,,ZINC000003860151,CHEMBL1234669,,,44278,82313,CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1",OVRNDRQMDRJTHS-PVFLNQBWSA-N
DB03741,,2-Methylbutanoic Acid,experimental,,,,2281310,,SMB,,ZINC000000391202,CHEMBL1162483,50412188,,45525,6950479,CC[C@@H](C)C(O)=O,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1",WLAMNBDJUVNPJU-SCSAIBSYSA-N
DB03742,,Compound 4-D,experimental,,,,,,E4D,,ZINC000003949855,CHEMBL304552,50144849,,,448577,[H][C@]1(OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)C1=CC=C(OCCN2CCCCC2)C=C1,"InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1",TWZNCTCQAGRUGQ-RRPNLBNLSA-N
DB03744,,"Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate",experimental,,,,,,700,,ZINC000002046793,CHEMBL335954,50136446,,,445459,[H][C@@](CC1=CC=CC=C1)(NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2)C(=O)N1CC(C1)C(O)=O,"InChI=1S/C22H20ClN3O4/c23-16-6-7-17-14(9-16)10-18(24-17)20(27)25-19(8-13-4-2-1-3-5-13)21(28)26-11-15(12-26)22(29)30/h1-7,9-10,15,19,24H,8,11-12H2,(H,25,27)(H,29,30)/t19-/m0/s1",RONLONYAIBUEKT-IBGZPJMESA-N
DB03745,,Arabinose-5-phosphate,experimental,,,,,,A5P,,ZINC000003871578,,,,,5287584,[H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,"InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1",VJDOAZKNBQCAGE-WDCZJNDASA-N
DB03746,,"3-Amino-4,5-Dihydroxy-Cyclohex-1-Enecarboxylate",experimental,,,,,,DHS,,,,,,,17753950,N[C@H]1C=C(C[C@@H](O)[C@@H]1O)C([O-])=O,"InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/p-1/t4-,5+,6+/m0/s1",WPZSUTUAATWRPU-KVQBGUIXSA-M
DB03747,179030-22-9,N-Acetyl-glucosamine thiazoline,experimental,,,,,,NGT,,ZINC000016051892,CHEMBL257158,50327038,,,5289024,[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(C)S2,"InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1",DRHXTSWSUAJOJZ-FMDGEEDCSA-N
DB03748,,Methyl-[4-(4-Piperidine-1-Ylmethyl-Phenyl)-Cyclohexyl]-Carbaminic Acid-(4-Chlorophenyl)-Ester,experimental,,,,,,R23,,,CHEMBL66412,50128066,,,,CN([C@H]1CC[C@@H](CC1)C1=CC=C(CN2CCCCC2)C=C1)C(=O)OC1=CC=C(Cl)C=C1,"InChI=1S/C26H33ClN2O2/c1-28(26(30)31-25-15-11-23(27)12-16-25)24-13-9-22(10-14-24)21-7-5-20(6-8-21)19-29-17-3-2-4-18-29/h5-8,11-12,15-16,22,24H,2-4,9-10,13-14,17-19H2,1H3/t22-,24-",AMKFOVYTEUFMCU-HCGLCNNCSA-N
DB03749,,"4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole",experimental,,,,,,43P,,ZINC000016051694,CHEMBL360563,50161651,,,656975,CCC1=C(O)C=C(O)C(=C1)C1=NNC=C1C1=CNC=N1,"InChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18)",ATORUNMAUREKMH-UHFFFAOYSA-N
DB03750,503-74-2,Isovaleric Acid,experimental,,,,,,IVA,,ZINC000000388188,CHEMBL568737,,,28484,10430,CC(C)CC(O)=O,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",GWYFCOCPABKNJV-UHFFFAOYSA-N
DB03751,,2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose,experimental,,,,,,DAU,,,CHEMBL412989,,,15700,443210,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O,"InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1",YSYKRGRSMLTJNL-URARBOGNSA-N
DB03752,,P-(2'-Iodo-5'-Thenoyl)Hydrotropic Acid,experimental,,,,,,ISF,,ZINC000002047443,,,,,447834,[H][C@@](C)(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=C(I)S1,"InChI=1S/C14H11IO3S/c1-8(14(17)18)9-2-4-10(5-3-9)13(16)11-6-7-12(15)19-11/h2-8H,1H3,(H,17,18)/t8-/m0/s1",UIZPHGUBGPJBAR-QMMMGPOBSA-N
DB03753,,Flurbiprofen Methyl Ester,experimental,,,,,,FL2,,ZINC000003581273,,,,,446134,COC(=O)[C@@H](C)C1=CC=C(C(F)=C1)C1=CC=CC=C1,"InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m0/s1",CPJBKHZROFMSQM-NSHDSACASA-N
DB03754,77-86-1,Tromethamine,approved,,"['B05BB03', 'B05XX02']",D00396,10865,,TRS,2771,ZINC000000896695,CHEMBL1200391,,TROMETAMOL,9754,6503,NC(CO)(CO)CO,"InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2",LENZDBCJOHFCAS-UHFFFAOYSA-N
DB03755,,"Adenosine-5'-[Beta, Gamma-Methylene]Tetraphosphate",experimental,,,,,,ACQ,,ZINC000048015934,,,,,446443,[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H19N5O15P4/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(29-11)1-28-35(26,27)31-33(21,22)4-32(19,20)30-34(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1",ARRGHMSEJJFDME-IOSLPCCCSA-N
DB03756,6217-54-5,Doconexent,"['approved', 'investigational']","['16899822', '16424216', '22254027', '26511533', '22912397', '16841856', '17234605', '20478353', '17488715', '19158225', '24228198', '11483627', '20422316']",,,1006469,,HXA,4289,ZINC000004474564,CHEMBL367149,50210259,DOCOSAHEXAENOIC ACID,28125,445580,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",MBMBGCFOFBJSGT-KUBAVDMBSA-N
DB03757,41036-24-2,N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alaninamide,experimental,,,,,,BAA,,,,,,,5497045,[H]N([H])C(=O)[C@H](C)N([H])C(=O)[C@H](C)N([H])C(=O)OC(C)(C)C,"InChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7-/m0/s1",OAXZAMSRJZWMEV-BQBZGAKWSA-N
DB03758,12772-57-5,Radicicol,experimental,,,,,,RDC,,ZINC000013521629,CHEMBL414883,227589,,556075,6323491,C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1,"InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1",WYZWZEOGROVVHK-GTMNPGAYSA-N
DB03759,2379-57-9,FG-9041,experimental,,,,,,DNQ,,ZINC000018118278,CHEMBL155265,,,93492,3899541,[O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O,"InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)",RWVIMCIPOAXUDG-UHFFFAOYSA-N
DB03760,462-20-4,Dihydrolipoic Acid,experimental,,,,,,RED,,ZINC000003869601,CHEMBL1235647,,,45230,9834298,[H][C@](S)(CCS)CCCCC(O)=O,"InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1",IZFHEQBZOYJLPK-SSDOTTSWSA-N
DB03761,134-46-3,5-fluoro-2'-deoxyuridine-5'-monophosphate,experimental,,,,,,UFP,,ZINC000003875881,CHEMBL886,50022238,,2129,8642,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(=O)NC1=O,"InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1",HFEKDTCAMMOLQP-RRKCRQDMSA-N
DB03763,65358-15-8,5-methyl-2'-deoxypseudouridine,experimental,,,,,,5MD,,,,,,,445537,CN1C=C([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1",AMDJRICBYOAHBZ-XLPZGREQSA-N
DB03764,,4-Hydroperoxy-2-Methoxy-Phenol,experimental,,,,,,4HM,,ZINC000014880918,,,,,446140,COC1=CC(OO)=CC=C1O,"InChI=1S/C7H8O4/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4,8-9H,1H3",DNBCLSZROQUYQN-UHFFFAOYSA-N
DB03765,85-94-9,2'-cytidylic acid,experimental,,,,,,C2P,,ZINC000004096023,CHEMBL582887,50298711,,28507,101544,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",YQUAKORMLHPSLZ-XVFCMESISA-N
DB03766,79-09-4,Propanoic acid,"['vet_approved', 'approved']","['15265042', '10469915']",S01AX10,D02310,34658,,PPI,,ZINC000006050663,CHEMBL14021,50082199,PROPIONIC ACID,30768,1032,CCC(O)=O,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",XBDQKXXYIPTUBI-UHFFFAOYSA-N
DB03767,,Morpholine-4-Carboxylic Acid [1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl]Amide,experimental,,,,,,BLN,,ZINC000006616189,CHEMBL153813,50121548,,,5287799,[H][C@@](COCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(=O)N1CCOCC1)C#N,"InChI=1S/C21H30N4O4/c1-16(2)12-19(24-21(27)25-8-10-28-11-9-25)20(26)23-18(13-22)15-29-14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1",LXEDKIMJQBOMSU-MOPGFXCFSA-N
DB03768,,"N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3",experimental,,,,,,HBB,,ZINC000014880920,CHEMBL288010,13929,,,466960,CC(C)CCN(C[C@@H](O)[C@@H]1CC2=CC=C(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)C=C2)S(=O)(=O)C1=CC=CC=C1,"InChI=1S/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/m0/s1",WRUVOSYKHXGAQN-GKRYNVPLSA-N
DB03769,23918-98-1,D-Eritadenine,experimental,,,,,,DEA,,ZINC000002047002,CHEMBL1095280,50316222,,,159961,[H][C@@](O)(CN1C=NC2=C(N)N=CN=C12)[C@@]([H])(O)C(O)=O,"InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1",LIEMBEWXEZJEEZ-INEUFUBQSA-N
DB03770,13115-21-4,N-hydroxyguanidine,experimental,,,,,,HGU,,ZINC000014880922,CHEMBL309499,,,43089,80668,NC(=N)NO,"InChI=1S/CH5N3O/c2-1(3)4-5/h5H,(H4,2,3,4)",WFBHRSAKANVBKH-UHFFFAOYSA-N
DB03771,,Allyl-{4-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-but-2-Enyl}-Methyl-Amine,experimental,,,,,,R17,,ZINC000002047553,CHEMBL65553,50128056,,,447559,CN(CC=C)C\C=C\COC1=CC2=C(C=C1)C(=CO2)C1=CC=C(Br)C=C1,"InChI=1S/C22H22BrNO2/c1-3-12-24(2)13-4-5-14-25-19-10-11-20-21(16-26-22(20)15-19)17-6-8-18(23)9-7-17/h3-11,15-16H,1,12-14H2,2H3/b5-4+",KCNKJCHARANTIP-SNAWJCMRSA-N
DB03772,,"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,5-Diol",experimental,,,,,,DLG,,ZINC000005973054,,,,,448294,[H][C@@]1(O)C[C@@]([H])(O)[C@]([H])(OCCCCCC)O[C@]1([H])CO,"InChI=1S/C12H24O5/c1-2-3-4-5-6-16-12-10(15)7-9(14)11(8-13)17-12/h9-15H,2-8H2,1H3/t9-,10-,11-,12-/m1/s1",TXGXIVBQPNUSRY-DDHJBXDOSA-N
DB03773,7658-08-4,alpha-D-quinovopyranose,experimental,,,,,,G6D,,ZINC000002042980,,,,42606,441480,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1",SHZGCJCMOBCMKK-DVKNGEFBSA-N
DB03774,,Glutamyl Group,experimental,,,,,,,,,,,,,5288620,[NH3+][C@@H](CCC=O)C(O)=O,"InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/p+1/t4-/m0/s1",KABXUUFDPUOJMW-BYPYZUCNSA-O
DB03775,533-48-2,Dethiobiotin,experimental,,,,,,DTB,,ZINC000094437777,CHEMBL1232381,66184,,42280,445027,C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O,"InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1",AUTOLBMXDDTRRT-JGVFFNPUSA-N
DB03776,598-35-6,Lactaldehyde,experimental,,,,,,,,ZINC000000895226,,,,18041,439231,[H]C(=O)[C@H](C)O,"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1",BSABBBMNWQWLLU-VKHMYHEASA-N
DB03777,133052-90-1,Bisindolylmaleimide I,experimental,,,,,,BI1,,ZINC000000585151,CHEMBL7463,2683,,,2396,CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)",QMGUOJYZJKLOLH-UHFFFAOYSA-N
DB03779,,Glucosaminyl-(Alpha-6)-D-Myo-Inositol,experimental,,,,,,MYG,,ZINC000100069882,,,,44230,,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1",HEPUIGACZYVUCD-YZRQSVRMSA-N
DB03780,,2-Aminoquinazolin-4(3h)-One,experimental,,,,,,AQO,,ZINC000013514509,CHEMBL6993,50240341,,85558,135403814,NC1=NC2=CC=CC=C2C(=O)N1,"InChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)",SDTFBAXSPXZDKC-UHFFFAOYSA-N
DB03781,,"2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid",experimental,,,,,,D1L,,ZINC000005211621,,,,145403,448978,[H][C@](C)(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(O)=O,"InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1",OOLBCHYXZDXLDS-SECBINFHSA-N
DB03782,,N-(1-adamantyl)-N'-(4-guanidinobenzyl)urea,experimental,,,,,,AGB,,ZINC000003874320,,16176,,,4286,NC(N)=NC1=CC=C(CNC(=O)NC23CC4CC(CC(C4)C2)C3)C=C1,"InChI=1S/C19H27N5O/c20-17(21)23-16-3-1-12(2-4-16)11-22-18(25)24-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11H2,(H4,20,21,23)(H2,22,24,25)",YQPLKJCBEOVDBS-UHFFFAOYSA-N
DB03783,62-44-2,Phenacetin,withdrawn,"['14180501', '12512867', '6036245', '1984193']","['N02BE53', 'N02BE73', 'N02BE03']",D00569,8113,PA450897,N4E,2115,ZINC000000000602,CHEMBL16073,50420191,,8050,4754,CCOC1=CC=C(NC(C)=O)C=C1,"InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",CPJSUEIXXCENMM-UHFFFAOYSA-N
DB03784,4303-70-2,Elaidamide,experimental,,,,,,ELD,,ZINC000014880924,CHEMBL86554,,,165592,5353370,CCCCCCCC\C=C\CCCCCCCC(N)=O,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+",FATBGEAMYMYZAF-MDZDMXLPSA-N
DB03785,75225-51-3,Mevinolinic acid,experimental,,,,,,LVA,,ZINC000004134473,CHEMBL1201373,50406681,,82985,64727,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,"InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1",QLJODMDSTUBWDW-BXMDZJJMSA-N
DB03787,,"(5-Hydroxy-6-methyl-4-{[(E)-(3-oxo-1,2-oxazolidin-4-ylidene)amino]methyl}-3-pyridinyl)methyl dihydrogen phosphate",experimental,,,,,,LCS,,ZINC000103548283,,,,,,CC1=NC=C(COP(O)(O)=O)C(C\N=C2/CONC2=O)=C1O,"InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+",KFCQHWOGBVCKHR-UKTHLTGXSA-N
DB03788,,GC-24,experimental,,,,,,G24,,,,,,,448011,CC1=CC(OCC(O)=O)=CC(C)=C1CC1=CC=C(O)C(CC2=CC=CC=C2)=C1,"InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27)",JYHIGYLGYNCMGI-UHFFFAOYSA-N
DB03789,,"2,3-Dimethylimidazolium Ion",experimental,,,,,,DMI,,,,,,,444800,CN1C=C[NH+]=C1C,"InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3/p+1",GIWQSPITLQVMSG-UHFFFAOYSA-O
DB03790,7314-32-1,L-methionine sulfone,experimental,,,,,,OMT,,ZINC000001691392,CHEMBL442720,,,21363,445282,CS(=O)(=O)CC[C@H](N)C(O)=O,"InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",UCUNFLYVYCGDHP-BYPYZUCNSA-N
DB03791,405911-09-3,GW-3965,experimental,,,,,,965,,ZINC000003966253,CHEMBL59030,19992,,79995,447905,OC(=O)CC1=CC=CC(OCCCN(CC(C2=CC=CC=C2)C2=CC=CC=C2)CC2=CC=CC(=C2Cl)C(F)(F)F)=C1,"InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)",NAXSRXHZFIBFMI-UHFFFAOYSA-N
DB03792,932-52-5,5-Aminouracil,experimental,,,,,,WBU,,ZINC000001236370,CHEMBL1236704,,,,13611,NC1=CNC(=O)NC1=O,"InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)",BISHACNKZIBDFM-UHFFFAOYSA-N
DB03793,65-85-0,Benzoic acid,"['approved', 'investigational']",,"['V04CG30', 'A16AX11']",D00038,18989,PA448578,BEZ,4664,ZINC000000001011,CHEMBL541,197302,BENZOIC ACID,30746,20144841,OC(=O)C1=CC=CC=C1,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",WPYMKLBDIGXBTP-UHFFFAOYSA-N
DB03794,,Trifluoroalanine,experimental,,,,,,FLA,,ZINC000002047325,,,,,87123,[H][C@](N)(C(O)=O)C(F)(F)F,"InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1",HMJQKIDUCWWIBW-SFOWXEAESA-N
DB03795,,2-Dehydropantoate,experimental,,,,,,KPL,,ZINC000001532800,,,,17094,38,CC(C)(CO)C(=O)C(O)=O,"InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)",PKVVTUWHANFMQC-UHFFFAOYSA-N
DB03796,57-10-3,Palmitic Acid,approved,,,D05341,1370621,,PLM,,ZINC000006072466,CHEMBL82293,50152850,PALMITIC ACID,15756,135369651,CCCCCCCCCCCCCCCC(O)=O,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",IPCSVZSSVZVIGE-UHFFFAOYSA-N
DB03797,,3-Aminomethyl-Pyridinium-Adenine-Dinucleotide,experimental,,,,,,NDA,,,,,,,131704258,[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(CN)=C3)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C21H29N7O13P2/c22-4-10-2-1-3-27(5-10)20-16(31)14(29)11(39-20)6-37-42(33,34)41-43(35,36)38-7-12-15(30)17(32)21(40-12)28-9-26-13-18(23)24-8-25-19(13)28/h1-3,5,8-9,11-12,14-17,20-21,29-32H,4,6-7,22H2,(H3-,23,24,25,33,34,35,36)/t11-,12-,14-,15-,16-,17-,20-,21-/m1/s1",HMCRLFVYYFBZEZ-PLEFRAQWSA-N
DB03798,1032-65-1,2'-Deoxycytidine-5'-Monophosphate,experimental,,,,,,DC,,ZINC000003861759,CHEMBL374699,,,15918,13945,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",NCMVOABPESMRCP-SHYZEUOFSA-N
DB03799,,Trifluoromethionine,experimental,,,,,,MF3,,ZINC000001698833,,,,43978,36690559,N[C@@H](CCSC(F)(F)F)C(O)=O,"InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1",YLJLTSVBCXYTQK-VKHMYHEASA-N
DB03800,964-26-1,Deoxyuridine monophosphate,experimental,,,,,,UMP,,ZINC000004228260,CHEMBL211312,50186267,,17622,65063,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",JSRLJPSBLDHEIO-SHYZEUOFSA-N
DB03801,,Lysine Nz-Carboxylic Acid,experimental,,,,,,KCX,,ZINC000006753301,,,,43575,17754054,N[C@@H](CCCCNC(O)=O)C(O)=O,"InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1",PWIKLEYMFKCERQ-YFKPBYRVSA-N
DB03802,,"1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol",experimental,,,,,,AEJ,,ZINC000013607707,,,,,5287617,[H][C@@]12CCCCN1CCN(C2)C1=CC=C(C=C1)[C@@]1([H])N(CCC2=CC(O)=CC=C12)C1=CC=CC=C1,"InChI=1S/C29H33N3O/c33-27-13-14-28-23(20-27)15-17-32(25-6-2-1-3-7-25)29(28)22-9-11-24(12-10-22)31-19-18-30-16-5-4-8-26(30)21-31/h1-3,6-7,9-14,20,26,29,33H,4-5,8,15-19,21H2/t26-,29+/m0/s1",ZGHFWBDHZZKWSI-LITSAYRRSA-N
DB03803,,"N,N-[2,5-O-dibenzyl-glucaryl]-DI-[valinyl-aminomethanyl-pyridine]",experimental,,,,,,MS3,,ZINC000096210382,,12222,,,445309,CC(C)[C@H](NC(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC1=NC=CC=C1)C(=O)NCC1=CC=CC=N1,"InChI=1S/C42H52N6O8/c1-27(2)33(39(51)45-23-31-19-11-13-21-43-31)47-41(53)37(55-25-29-15-7-5-8-16-29)35(49)36(50)38(56-26-30-17-9-6-10-18-30)42(54)48-34(28(3)4)40(52)46-24-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1",SVFLQOLSPWURCD-CXPJILFNSA-N
DB03804,,5-Bromothienyldeoxyuridine,experimental,,,,,,BTD,,ZINC000003802687,CHEMBL1231486,,,,446725,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=C(C2=CC=C(Br)S2)C(=O)NC1=O,"InChI=1S/C13H13BrN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)/t7-,8+,11+/m0/s1",IGUZFFOBAZCVRK-VAOFZXAKSA-N
DB03807,,"1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",experimental,,,,,,6DE,,ZINC000012503927,CHEMBL519827,14797,,,656968,CCOC(=O)C1=C(C)N(N=C1C)C1=C(Cl)C=CC=C1,"InChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3",XQCKNCFQOJFQFK-UHFFFAOYSA-N
DB03808,3811-75-4,Hexamidine,"['experimental', 'approved']",,"['S03AA05', 'S01AX08', 'R01AX07', 'R02AA18', 'D08AC04']",,26849,,DID,3275,ZINC000001705403,CHEMBL25105,50015234,HEXAMIDINE,87184,65130,NC(=N)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1,"InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)",OQLKNTOKMBVBKV-UHFFFAOYSA-N
DB03809,,9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine,experimental,,,,,,PU5,,ZINC000012503928,CHEMBL109612,15376,,,5289228,CCCCN1C(CC2=CC=CC(OC)=C2)=NC2=C(N)N=CN=C12,"InChI=1S/C17H21N5O/c1-3-4-8-22-14(10-12-6-5-7-13(9-12)23-2)21-15-16(18)19-11-20-17(15)22/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20)",BWLWUGBHOXIUBP-UHFFFAOYSA-N
DB03810,6070-75-3,3-Methylglutamic acid,experimental,,,,,,LME,,ZINC000001672629,CHEMBL290744,,,,11412540,[H][C@@](C)(CC(O)=O)[C@]([H])(N)C(O)=O,"InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5+/m1/s1",FHJNAFIJPFGZRI-WUJLRWPWSA-N
DB03811,,Histidinol,experimental,,,,,,HSO,,,,,,57699,6950298,[H][C@@]([NH3+])(CO)CC1=CN=CN1,"InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1",ZQISRDCJNBUVMM-YFKPBYRVSA-O
DB03812,,"3-{2,6,8-trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-Yl}propyl dihydrogen phosphate",experimental,,,,,,T2P,,ZINC000012501846,,,,,657024,OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)N(CCCOP(O)(O)=O)C2=C1NC(=O)NC2=O,"InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9+/m0/s1",KPHFGOGGKPGLTM-LKEWCRSYSA-N
DB03813,,2-Decenoyl N-Acetyl Cysteamine,experimental,,,,,,DAC,,ZINC000015682444,,,,,5288022,CCCCCCC\C=C/C(=O)SCCNC(C)=O,"InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9-",HYDKTIAWESXLEF-KTKRTIGZSA-N
DB03814,4432-31-9,2-(N-morpholino)ethanesulfonic acid,experimental,,,,,,MES,,ZINC000001583444,CHEMBL1234276,,,39005,78165,OS(=O)(=O)CCN1CCOCC1,"InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)",SXGZJKUKBWWHRA-UHFFFAOYSA-N
DB03815,13074-06-1,Fucitol,experimental,,,,,,FOC,,ZINC000002575033,,,,42600,445724,[H][C@@](C)(O)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)CO,"InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1",SKCKOFZKJLZSFA-KCDKBNATSA-N
DB03816,,Difluoromethionine,experimental,,,,,,2FM,,,,,,,447827,N[C@@H](CCSC(F)F)C(O)=O,"InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1",YHBNXKYHZMAFED-VKHMYHEASA-N
DB03817,1758-80-1,"L-2,4-diaminobutyric acid",experimental,,,,,,DAB,,ZINC000052986906,CHEMBL321357,92987,,48950,134490,NCC[C@H](N)C(O)=O,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1",OGNSCSPNOLGXSM-VKHMYHEASA-N
DB03818,,N-[Tosyl-D-Prolinyl]Amino-Ethanethiol,experimental,,,,,,TP2,,ZINC000005889105,,,,,445503,[H][C@@]1(CCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(=O)NCCS,"InChI=1S/C14H20N2O3S2/c1-11-4-6-12(7-5-11)21(18,19)16-9-2-3-13(16)14(17)15-8-10-20/h4-7,13,20H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1",NWUYDTGYTUQMDG-CYBMUJFWSA-N
DB03819,89-73-6,Salicylhydroxamic Acid,experimental,,,,,,SHA,,ZINC000018169763,CHEMBL309339,50015089,,45615,66644,ONC(=O)C1=CC=CC=C1O,"InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)",HBROZNQEVUILML-UHFFFAOYSA-N
DB03820,,"(2S,5R,6R)-6-({(6S)-6-[(Ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",experimental,,,,,,HEL,,,,,,,5288535,[H]N([C@@H](CCCCC(=O)N([H])[C@@H]1C(=O)N2[C@@H](C([O-])=O)C(C)(C)S[C@]12[H])C([O-])=O)C(=O)C[N+]([H])([H])[H],"InChI=1S/C17H26N4O7S/c1-17(2)12(16(27)28)21-13(24)11(14(21)29-17)20-9(22)6-4-3-5-8(15(25)26)19-10(23)7-18/h8,11-12,14H,3-7,18H2,1-2H3,(H,19,23)(H,20,22)(H,25,26)(H,27,28)/p-1/t8-,11+,12-,14+/m0/s1",LDJWRKFRKCXUDO-RBQWDTSBSA-M
DB03821,,2-Amino-3-Hydroxy-3-Phosphonooxy-Propionic Acid,experimental,,,,,,FGP,,ZINC000012503936,,,,,17753979,[H][C@@](N)(C(O)=O)[C@@]([H])(O)OP(O)(O)=O,"InChI=1S/C3H8NO7P/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H2,8,9,10)/t1-,3+/m1/s1",JVLKWZAWYDOHCD-GPKNORDASA-N
DB03822,1623-14-9,Ethyl dihydrogen phosphate,experimental,,,,,,EFS,,ZINC000005575803,,,,42383,74190,CCOP(O)(O)=O,"InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)",ZJXZSIYSNXKHEA-UHFFFAOYSA-N
DB03823,970-74-1,Epigallocatechin,"['experimental', 'investigational']",,,,,,EGT,,ZINC000003870336,CHEMBL47386,50187665,,42255,72277,O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",XMOCLSLCDHWDHP-IUODEOHRSA-N
DB03824,,"7-Iodo-1,2,3,4-Tetrahydro-Isoquinoline",experimental,,,,,,IDI,,ZINC000012503940,CHEMBL26828,14060,,,5288606,IC1=CC2=C(CCNC2)C=C1,"InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2",FFCFXJXBXUOFIU-UHFFFAOYSA-N
DB03825,989-38-8,Rhodamine 6G,experimental,,,,,,RHQ,,,,,,52672,,[Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C,"InChI=1S/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1",XFKVYXCRNATCOO-UHFFFAOYSA-M
DB03826,,"5,6-Diaminouracil",experimental,,,,,,URN,,ZINC000001666585,CHEMBL34076,,,46252,76726,NC1=C(N)C(=O)NC(=O)N1,"InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)",BBTNLADSUVOPPN-UHFFFAOYSA-N
DB03827,,"(3s)-3,4-Di-N-Hexanoyloxybutyl-1-Phosphocholine",experimental,,,,,,3PC,,,,,,,5287503,[H][C@](CCP([O-])(=O)OCC[N+](C)(C)C)(COC(=O)CCCCC)OC(=O)CCCCC,"InChI=1S/C21H42NO7P/c1-6-8-10-12-20(23)27-18-19(29-21(24)13-11-9-7-2)14-17-30(25,26)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3/t19-/m0/s1",BRTDPJPTKQNAET-IBGZPJMESA-N
DB03828,,RU78299,experimental,,,,,,299,,ZINC000012503945,CHEMBL421138,14681,,,5287465,CC1=CC(C=O)=C(OP(O)(O)=O)C(C=O)=C1,"InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)",NAYNUXXSJZLKPW-UHFFFAOYSA-N
DB03829,,Pseudouridine-5'-Monophosphate,experimental,,,,,,PSU,,ZINC000004095566,,,,18116,439424,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",MOBMOJGXNHLLIR-GBNDHIKLSA-N
DB03830,,Phosphorylated Dihydropteroate,experimental,,,,,,PD8,,ZINC000012503950,,,,,135509142,NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)OP(O)(O)=O)N=C2C(=O)N1,"InChI=1S/C14H13N6O6P/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)26-27(23,24)25/h1-4,6,16H,5H2,(H2,23,24,25)(H3,15,17,19,20,21)",DNKVHXNVVYQUDC-UHFFFAOYSA-N
DB03831,,"[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate",experimental,,,,,,MPG,,ZINC000064436846,,,,,17754086,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCOC(=O)[C@]([H])(O)CO,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1",JPJYKWFFJCWMPK-GDCKJWNLSA-N
DB03832,,"3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium",experimental,,,,,,OCB,,ZINC000002572325,CHEMBL1234930,,,,449186,[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)CCCCCCC,"InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1",CXTATJFJDMJMIY-CYBMUJFWSA-O
DB03833,,"2-Prolyl-5-Tert-Butyl-[1,3,4]Oxadiazole",experimental,,,,,,PTB,,ZINC000005950679,CHEMBL403772,50374363,,,449137,[H][C@]1(CCCN1)C(=O)C1=NN=C(O1)C(C)(C)C,"InChI=1S/C11H17N3O2/c1-11(2,3)10-14-13-9(16-10)8(15)7-5-4-6-12-7/h7,12H,4-6H2,1-3H3/t7-/m0/s1",YUKGJYBQODPVBL-ZETCQYMHSA-N
DB03834,,"(3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine",experimental,,,,,,TBE,,,,,,,6419228,CC(CN1C=CN=N1)([C@@H](N\C=C/C=O)C(O)=O)S([O-])=O,"InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11H,7H2,1H3,(H,16,17)(H,18,19)/p-1/b3-2-/t8-,10-/m0/s1",YGFMROFTTCPCKY-AARLMMRRSA-M
DB03835,,"N-[(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide",experimental,,,,,,GL9,,ZINC000003833806,CHEMBL593335,,,,5288395,CC(=O)NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,"InChI=1S/C10H15N3O8/c1-3(15)12-13-8(19)10(11-9(13)20)7(18)6(17)5(16)4(2-14)21-10/h4-7,14,16-18H,2H2,1H3,(H,11,20)(H,12,15)/t4-,5-,6+,7-,10+/m1/s1",MAHIOGAAEAWGLR-UTAYWCBXSA-N
DB03836,108-70-3,"1,3,5-trichlorobenzene",experimental,,,,,,TCZ,,ZINC000000391973,CHEMBL44228,,,49916,7950,ClC1=CC(Cl)=CC(Cl)=C1,InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H,XKEFYDZQGKAQCN-UHFFFAOYSA-N
DB03837,,Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide,experimental,,,,,,C1P,,ZINC000012503958,CHEMBL222649,50271690,,,23648296,C(C)(C)C[C@H](C(=O)N[C@H](CCC1=CC=CC=C1)\C=C\S(=O)(=O)C1=CC=CC=C1)NC(=O)N1CCOCC1,"InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m1/s1",YUMYYTORLYHUFW-ZUDLOMHPSA-N
DB03839,556-02-5,D-Tyrosine,experimental,15292242,,,,,DTY,,ZINC000000002234,CHEMBL1076637,50463198,,28479,71098,N[C@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1",OUYCCCASQSFEME-MRVPVSSYSA-N
DB03840,,Tetra(Imidazole)Diaquacopper (Ii),experimental,,,,,,IME,,,,,,,,O.O.[Cu+4].[N-]1C=CN=C1.[N-]1C=CN=C1.[N-]1C=CN=C1.[N-]1C=CN=C1,InChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;+4;;,QHMVDLPUUJNKGZ-UHFFFAOYSA-N
DB03841,206884-98-2,Niraxostat,experimental,,,,,,YSH,,ZINC000000007343,CHEMBL169526,50098068,,,449035,CC(C)(C)COC1=C(C=C(C=C1)N1C=C(C=N1)C(O)=O)C#N,"InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)",AETHRPHBGJAIBT-UHFFFAOYSA-N
DB03842,,2-Chloro-6-Methyl-Aniline,experimental,,,,,,2CM,,ZINC000012503961,,,,,17753774,CC1=CC=CC(=C)[C@H]1N,"InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5,8H,1,9H2,2H3/t8-/m1/s1",RFDXLWZZNPOBLL-MRVPVSSYSA-N
DB03843,50-00-0,Formaldehyde,"['vet_approved', 'approved']",,,D00017,314636,PA449703,FOR,3244,,CHEMBL1255,,FORMALIN,16842,712,[H]C([H])=O,InChI=1S/CH2O/c1-2/h1H2,WSFSSNUMVMOOMR-UHFFFAOYSA-N
DB03844,,"N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide",experimental,,,,,,F6B,,ZINC000003591119,,12019,,,4288,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=CC=C1F,"InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)",ZFNCKGXGCCDDFN-UHFFFAOYSA-N
DB03845,,P1-(5'-Adenosyl)P5-(5'-(3'azido-3'-Deoxythymidyl))Pentaphosphate,experimental,,,,,,Z5A,,,,,,,5289614,[H][C@@]1(C[C@]([H])(N=[N+]=[N-])[C@@]([H])(COP([O-])(=O)OP([O-])(=O)OP(O)(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O1)N1C=C(C)C([O-])=NC1=O,"InChI=1S/C20H29N10O22P5/c1-8-3-29(20(34)26-18(8)33)12-2-9(27-28-22)10(47-12)4-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-5-11-14(31)15(32)19(48-11)30-7-25-13-16(21)23-6-24-17(13)30/h3,6-7,9-12,14-15,19,31-32H,2,4-5H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,24)(H,26,33,34)/p-5/t9-,10+,11+,12+,14+,15+,19+/m0/s1",QNIWSXQXLJIUJW-SLFMBYJQSA-I
DB03846,,2'-deoxy-5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate),experimental,,,,,,5HU,,ZINC000013538464,CHEMBL1160818,,,,447206,[H]N1C(=O)N(C=C(CO)C1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1",WEBVWKFGRVLCNS-XLPZGREQSA-N
DB03847,53861-57-7,gamma-carboxy-L-glutamic acid,experimental,,,,,,CGU,,ZINC000002004603,CHEMBL38397,50076390,,41450,104625,N[C@@H](CC(C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1",UHBYWPGGCSDKFX-VKHMYHEASA-N
DB03848,618-41-7,Benzenesulfinic acid,experimental,,,,,,BNS,,ZINC000019735108,,,,32404,12057,O[S@@](=O)C1=CC=CC=C1,"InChI=1S/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)",JEHKKBHWRAXMCH-UHFFFAOYSA-N
DB03849,153259-65-5,Cilomilast,investigational,"['14684329', '10373396']",,D01704,,,CIO,,ZINC000100042108,CHEMBL511115,50346088,ARIFLO,,,COC1=C(OC2CCCC2)C=C(C=C1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N,"InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-",CFBUZOUXXHZCFB-OYOVHJISSA-N
DB03850,,Jaspisamide A,experimental,,,,,,JAS,,ZINC000263621129,,,,,5288653,[H]\C(C[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@@]([H])(O)C[C@]([H])(O)CC(=O)[C@]([H])(C)[C@]([H])(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\CC[C@@]1([H])C)OC)=C(\[H])N(C)CO,"InChI=1S/C44H64N4O13/c1-26-12-9-10-14-40-45-33(23-58-40)43-47-34(24-60-43)44-46-32(22-59-44)42(57-8)29(4)36(53)19-30(50)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-48(5)25-49/h10-11,14,17,22-24,26-31,37-39,42,49-51H,9,12-13,15-16,18-21,25H2,1-8H3/b14-10+,17-11+/t26-,27+,28+,29+,30+,31+,37-,38+,39+,42+/m1/s1",VMTDLKOWOZYTPX-RZKNNNBGSA-N
DB03851,,Carbazole Butanoic Acid,experimental,,,,,,CRZ,,,CHEMBL185595,50152851,,,448769,OC(=O)CCCN1C2=CC=CC=C2C2=C1C=CC=C2,"InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)",HQAKVYGASUTQHH-UHFFFAOYSA-N
DB03852,470-82-6,Eucalyptol,"['experimental', 'nutraceutical']",20722639,R05CA13,D04115,21116,PA449555,CNL,4259,,CHEMBL1231862,,,27961,,C[C@@]12CC[C@@H](CC1)C(C)(C)O2,"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+",WEEGYLXZBRQIMU-WAAGHKOSSA-N
DB03853,,Reactive Red 6 hapten,experimental,10684599,,,,,RR6,,,,,,45558,,OC1=C(C=C(C=C1)S(O)(=O)=O)\N=N\C1=C(C=C2C(C=CC(NC3=NC(NC4=C(C5=CC(=C(\N=N\C6=C(O)C=CC(=C6)S(O)(=O)=O)C(O)=C5C=C4)S(O)(=O)=O)S(O)(=O)=O)=NC=N3)=C2S(O)(=O)=O)=C1O)S(O)(=O)=O,"InChI=1S/C35H25N9O22S6/c45-24-7-1-14(67(49,50)51)9-22(24)41-43-28-26(69(55,56)57)11-18-16(30(28)47)3-5-20(32(18)71(61,62)63)38-34-36-13-37-35(40-34)39-21-6-4-17-19(33(21)72(64,65)66)12-27(70(58,59)60)29(31(17)48)44-42-23-10-15(68(52,53)54)2-8-25(23)46/h1-13,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,36,37,38,39,40)/b43-41+,44-42+",PJONDRDKCIFXDA-CHQNLTHESA-N
DB03854,462-94-2,Cadaverine,experimental,,,,,,N2P,,ZINC000001529253,CHEMBL119296,50323741,,18127,273,NCCCCCN,InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2,VHRGRCVQAFMJIZ-UHFFFAOYSA-N
DB03855,,L-Threonohydroxamate 4-Phosphate,experimental,,,,,,TX4,,ZINC000005829810,,,,,49867766,[H][C@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)NO,"InChI=1S/C4H12NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-9H,1H2,(H2,10,11,12)/t2-,3+,4-/m0/s1",CSVKNYIFCYRDJM-NUNKFHFFSA-N
DB03856,66640-93-5,L-Eflornithine,"['experimental', 'investigational']",,,,,,DMO,,ZINC000052971887,CHEMBL222838,50487426,,,6992039,NCCC[C@@](N)(C(F)F)C(O)=O,"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)/t6-/m1/s1",VLCYCQAOQCDTCN-ZCFIWIBFSA-N
DB03857,,"1,4-dithio-beta-D-glucopyranose",experimental,,,,,,SSG,,ZINC000005830031,,,,,445999,OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1S,"InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1",MUOMBPNNVXJUGT-UKFBFLRUSA-N
DB03858,,S-Acetonylcysteine,experimental,,,,,,CSA,,ZINC000006761318,,,,,17753922,CC(=O)CSC[C@H](N)C(O)=O,"InChI=1S/C6H11NO3S/c1-4(8)2-11-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1",BYMSHHJFWDLNBG-YFKPBYRVSA-N
DB03859,7534-35-2,1-thio-beta-D-glucopyranose,experimental,,,,,,GS1,,ZINC000003815614,CHEMBL132376,50473916,,42896,444809,OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1",JUSMHIGDXPKSID-DVKNGEFBSA-N
DB03860,98007-99-9,ICI-164384,experimental,,,,,,AOE,,ZINC000003917379,CHEMBL1222035,50471252,,40710,104772,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]21[H],"InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1",BVVFOLSZMQVDKV-KXQIQQEYSA-N
DB03861,176246-06-3,"(2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine",experimental,,,,,,IFG,,,,,,,446429,[H]N([C@H]1N([H])C[C@H](CO)[C@H](O)[C@@H]1O)C(C)=O,"InChI=1S/C8H16N2O4/c1-4(12)10-8-7(14)6(13)5(3-11)2-9-8/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m1/s1",IWVRQJNSUOIUFV-VGRMVHKJSA-N
DB03862,,Tetrahydrooxazine,experimental,,,,,,OXZ,,,CHEMBL1213467,36387,,,449101,OC[C@H]1ONC[C@@H](O)[C@@H]1O,"InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1",KHVCOYGKHDJPBZ-WDCZJNDASA-N
DB03863,108266-96-2,2-O-Methyl-beta-L-fucopyranose,experimental,,,,,,MXY,,,,,,,446103,CO[C@@H]1[C@@H](O)O[C@@H](C)[C@@H](O)[C@H]1O,"InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1",YLAMTMNJXPWCQN-XUVCUMPTSA-N
DB03864,,Monothioglycerol,experimental,,,,1363062,,SGM,,ZINC000003860581,,,,45619,447638,OC[C@@H](O)CS,"InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1",PJUIMOJAAPLTRJ-GSVOUGTGSA-N
DB03865,,6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine,experimental,,,,,,132,,,,14152,,,445843,NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC(=C2O)C2=CC=CC=C2)C=C1Cl,"InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1",FEKRWNWZMOSVBX-UHFFFAOYSA-O
DB03866,,Prostaglandin G2,experimental,,,,,,PGX,,ZINC000008220097,,,,27647,5280883,[H][C@@](CCCCC)(OO)\C=C\[C@@]1([H])[C@@]2([H])C[C@]([H])(OO2)[C@]1([H])C\C=C/CCCC(O)=O,"InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",SGUKUZOVHSFKPH-YNNPMVKQSA-N
DB03867,621-44-3,3-nitro-L-tyrosine,experimental,,,,,,NIY,,ZINC000034800261,CHEMBL1234745,,,44454,65124,N[C@@H](CC1=CC(=C(O)C=C1)[N+]([O-])=O)C(O)=O,"InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1",FBTSQILOGYXGMD-LURJTMIESA-N
DB03868,,3-Dehydroquinic Acid,experimental,,,,,,DQA,,ZINC000004095505,,,,17947,439351,O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C(O)=O,"InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1",WVMWZWGZRAXUBK-SYTVJDICSA-N
DB03869,,5'-O-(L-Serylsulfamoyl)adenosine,experimental,,,,,,SSA,,ZINC000013542770,CHEMBL1163070,50339906,,,445736,[H]N([H])[C@@H](CO)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],"InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1",HQXFJGONGJPTLZ-YTMOPEAISA-N
DB03870,,"Ara-Alpha(1,3)-Xyl",experimental,,,,,,KHO,,ZINC000005851434,,,,,448208,[H][C@@]1(CO)O[C@@]([H])(O[C@@]2([H])[C@]([H])(O)CO[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C10H18O9/c11-1-4-5(13)6(14)10(18-4)19-8-3(12)2-17-9(16)7(8)15/h3-16H,1-2H2/t3-,4+,5+,6-,7-,8+,9-,10+/m1/s1",XAQWBYJKZNCZPL-DBMHWZGKSA-N
DB03871,,"lambda-bis(2,2'-bipyridine)imidazole ruthenium (II)",experimental,,,,,,LRU,,,,,,,46936282,[Ru+3].[N-]1C=CN=C1.C1=CC=C(N=C1)C1=CC=CC=N1.C1=CC=C(N=C1)C1=CC=CC=N1,InChI=1S/2C10H8N2.C3H3N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H;/q;;-1;+3,ZSRBWSVKDUMHBO-UHFFFAOYSA-N
DB03872,,"2,3-Dideoxyfucose",experimental,,,,,,CDR,,,,,,,5287900,[H][C@]1(O)CC[C@]([H])(O)[C@@]([H])(C)O1,"InChI=1S/C6H12O3/c1-4-5(7)2-3-6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1",ZCYMCBOUZXAAJG-NGJCXOISSA-N
DB03874,,"(4e,8e,12z,16z)-N,N,4,8,13,17,21-Heptamethyldocosa-4,8,12,16,20-Pentaen-1-Amine",experimental,,,,,,SQA,,ZINC000005158550,,,,,448904,CN(C)CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C29H51N/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7)8/h15-17,21-22H,9-14,18-20,23-24H2,1-8H3/b26-16+,27-17+,28-21+,29-22+",OBYAAZRQFIVRJS-GUUMBNHASA-N
DB03876,,"Thieno[2,3-B]Pyridine-2-Carboxamidine",experimental,,,,,,ESP,,,,14171,,,5438,NC(=[NH2+])C1=CC2=C(S1)N=CC=C2,"InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1",GZEJMYFXZMUAEC-UHFFFAOYSA-O
DB03877,138890-59-2,AL-4623,experimental,,,,,,AL4,,ZINC000003870424,,11934,,,4369102,CCN[C@H]1CN(CCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1",XACIEZJJSXJZMD-VIFPVBQESA-N
DB03878,,N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide,experimental,,,,,,PRC,,ZINC000008656718,,,,,4327,CC1=CC=C(NC(=O)C2=CC=CN=C2)C=C1NC1=NC=CC(=N1)C1=CC=CN=C1,"InChI=1S/C22H18N6O/c1-15-6-7-18(26-21(29)17-5-3-10-24-14-17)12-20(15)28-22-25-11-8-19(27-22)16-4-2-9-23-13-16/h2-14H,1H3,(H,26,29)(H,25,27,28)",YWQVBESSYLICRX-UHFFFAOYSA-N
DB03879,14687-15-1,alpha-L-methyl-fucose,experimental,,,,,,MFU,,ZINC000002509839,CHEMBL1234282,50505617,,,446578,CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1",OHWCAVRRXKJCRB-CXNFULCWSA-N
DB03880,130370-60-4,Batimastat,experimental,,,D03061,,,BAT,,ZINC000003789788,CHEMBL279786,50063918,,195398,5362422,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC,"InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1",XFILPEOLDIKJHX-QYZOEREBSA-N
DB03881,,"(2S,3R,4S,5S)-3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium",experimental,,,,,,MTI,,,,,,,135509130,[H]N1C=C([C@H]2[C@H](O)[C@H](O)[C@@H](CSC)[N+]2([H])[H])C2=C1C(=O)N=CN2[H],"InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/p+1/t6-,8+,10-,11+/m1/s1",CEGIKIXYDFDYDN-RXDXJJGDSA-O
DB03882,571-20-0,"5-Alpha-Androstane-3-Beta,17beta-Diol",experimental,,,,,,AOM,,ZINC000003814412,CHEMBL316048,50474606,,18329,242332,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB-YSZCXEEOSA-N
DB03883,29161-67-9,Carboxyethyllumazine,experimental,,,,,,CRM,,ZINC000012504250,,,,,185679,[H]N1C(=O)N([H])C2=C(N=C(CCC(O)=O)C(=O)N2C[C@H](O)[C@H](O)[C@H](O)CO)C1=O,"InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1",PTYCEIBBGGLADD-PJKMHFRUSA-N
DB03884,156-06-9,Phenylpyruvic acid,experimental,,,,,,PPY,,ZINC000000901485,CHEMBL1162488,,,30851,997,OC(=O)C(=O)CC1=CC=CC=C1,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)",BTNMPGBKDVTSJY-UHFFFAOYSA-N
DB03885,,L-gamma-glutamyl-S-(naphthalen-1-ylmethyl)-L-cysteinylglycine,experimental,,,,,,GGC,,ZINC000012504001,,,,,449471,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC2=CC=CC=C12)C(=O)N([H])CC(O)=O)C(O)=O,"InChI=1S/C21H25N3O6S/c22-16(21(29)30)8-9-18(25)24-17(20(28)23-10-19(26)27)12-31-11-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,16-17H,8-12,22H2,(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t16-,17-/m0/s1",IHZCIRSQSFPOLH-IRXDYDNUSA-N
DB03886,,Biopterin,experimental,,,,,,BIO,,ZINC000017129255,,,,41183,135449517,C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1",LHQIJBMDNUYRAM-AWFVSMACSA-N
DB03887,,Alpha-Adenosine Monophosphate,experimental,,,,,,AAM,,ZINC000013543135,,,,,446488,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=NC=NC(N)=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)14-3-15(5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1",NVOIXARBSSLBAS-CRKDRTNXSA-N
DB03888,,N-Allyl-6-{[3-(4-bromophenyl)-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-1-hexanamine,experimental,,,,,,R03,,ZINC000012504009,CHEMBL66424,50128058,,,445989,CN(CCCCCCOC1=CC2=C(C=C1)C(=NN2C)C1=CC=C(Br)C=C1)CC=C,"InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3",FNZKIJOTNKEJBF-UHFFFAOYSA-N
DB03889,,S-(N-hydroxy-N-bromophenylcarbamoyl)glutathione,experimental,,,,,,GBP,,ZINC000058660391,,,,,17753992,N[C@@H](CCC(=O)N[C@@H](CS[C@H](O)N(O)C1=CC=C(Br)C=C1)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C17H23BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17-/m0/s1",OGZMPQOWGQBWAV-PRXAMGSTSA-N
DB03890,,N-[2-(1-Formyl-2-Methyl-Propyl)-1-(4-Piperidin-1-Yl-but-2-Enoyl)-Pyrrolidin-3-Yl]-Methanesulfonamide,experimental,,,,,,616,,ZINC000037867735,,,,,6323197,O=C[C@@]([H])(C(C)C)[C@]1([H])N(CC[C@@]1([H])NS(=O)(=O)C)C(=O)\C=C\CN1CCCCC1,"InChI=1S/C19H33N3O4S/c1-15(2)16(14-23)19-17(20-27(3,25)26)9-13-22(19)18(24)8-7-12-21-10-5-4-6-11-21/h7-8,14-17,19-20H,4-6,9-13H2,1-3H3/b8-7+/t16-,17+,19-/m0/s1",BSBJWRKWANAVRQ-POTLKAILSA-N
DB03891,,"Dibenzyl (carbonylbis{2,1-hydrazinediyl[(2S)-4-methyl-1-oxo-1,2-pentanediyl]})biscarbamate",experimental,,,,,,INA,,ZINC000014880956,CHEMBL115357,50408519,,,5288634,[H]N(N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1)C(=O)N([H])N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1,"InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1",HGDUWJVGIGLVOH-ZEQRLZLVSA-N
DB03892,,5-N-Allyl-arginine,experimental,,,,,,ARV,,,,,,,136908160,N[C@@H](CCC\[NH+]=C(/N)NCC=C)C(O)=O,"InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1",ZPQWZDPOLXVMOU-ZETCQYMHSA-O
DB03893,,Thionicotinamide-Adenine-Dinucleotide,experimental,,,,,,SND,,,,,,,131704262,[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(40-21)6-38-43(35,36)41-42(33,34)37-5-10-13(29)15(31)20(39-10)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",UQYPZLRUJKCREN-NNYOXOHSSA-N
DB03894,,N-Propargyl-1(S)-Aminoindan,experimental,,,,,,RSA,,ZINC000019875505,CHEMBL1235738,11000,,,5289310,[H][C@@]1(CCC2=C1C=CC=C2)NCC#C,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1",RUOKEQAAGRXIBM-LBPRGKRZSA-N
DB03895,10309-95-2,Malachite Green,experimental,,,,1547770,,MGR,,ZINC000003953819,CHEMBL1181633,214729,,44107,11295,CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](C)C,"InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1",VFCNQNZNPKRXIT-UHFFFAOYSA-N
DB03896,10380-08-2,Triphosphoric acid,experimental,,,,1364529,,3PO,,ZINC000006827739,CHEMBL1230191,,,39949,983,OP(O)(=O)OP(O)(=O)OP(O)(O)=O,"InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)",UNXRWKVEANCORM-UHFFFAOYSA-N
DB03897,501-97-3,Phloretic acid,experimental,,,,,,HPP,,ZINC000008383206,CHEMBL1172560,231636,,32980,10394,OC(=O)CCC1=CC=C(O)C=C1,"InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)",NMHMNPHRMNGLLB-UHFFFAOYSA-N
DB03898,,3-Chloro-4-Hydroxyphenylglycine,experimental,,,,,,CHP,,ZINC000008377546,,,,,11401421,N[C@H](C(O)=O)C1=CC(Cl)=C(O)C=C1,"InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1",FLZDFFKRJPLFGS-ZETCQYMHSA-N
DB03899,,9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine,experimental,,,,,,PU4,,,CHEMBL112834,15375,,,5289227,CCCCN1C(CC2=CC=C(OC)C=C2)=NC2=C(N)N=CN=C12,"InChI=1S/C17H21N5O/c1-3-4-9-22-14(10-12-5-7-13(23-2)8-6-12)21-15-16(18)19-11-20-17(15)22/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20)",NVYATAJRTRFKSW-UHFFFAOYSA-N
DB03900,75-65-0,tert-butanol,experimental,,,,1363061,,TBU,,ZINC000001680021,CHEMBL16502,,,45895,6386,CC(C)(C)O,"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3",DKGAVHZHDRPRBM-UHFFFAOYSA-N
DB03901,96914-00-0,5-Oxoprolinal,experimental,,,,,,CGN,,ZINC000005133419,,,,,130336,O=C[C@@H]1CCC(=O)N1,"InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1",XBGYMVTXOUKXLG-BYPYZUCNSA-N
DB03902,144-62-7,Oxalic Acid,experimental,,,,1427058,,OXD,,ZINC000006021239,CHEMBL146755,14674,,16995,3819775,OC(=O)C(O)=O,"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",MUBZPKHOEPUJKR-UHFFFAOYSA-N
DB03903,,Tmr,experimental,,,,,,RHO,,,,,,,5289288,CN(C)C1=CCC2=C(C3=CC=C(C=C3OC2=C1)N(C)C)C1=CC=C(C=C1C(O)=O)N1C(=O)C=CC1=O,"InChI=1S/C28H25N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)19-8-7-18(13-22(19)28(34)35)31-25(32)11-12-26(31)33/h5-9,11-15H,10H2,1-4H3,(H,34,35)",KGFLZYXDJDOIEE-UHFFFAOYSA-N
DB03904,57-13-6,Urea,"['approved', 'investigational']",,"['B05BC02', 'D02AE51', 'D02AE01']",D00023,11002,PA451831,URE,4264,ZINC000008214514,CHEMBL985,24961,UREA C-13,48376,1176,NC(N)=O,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",XSQUKJJJFZCRTK-UHFFFAOYSA-N
DB03905,,Succinamide-CoA,experimental,,,,,,SCO,,ZINC000195757410,,,,,446720,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCN([H])C(=O)CCC(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C25H41N8O19P3/c1-25(2,20(39)23(40)29-6-5-15(35)28-8-7-27-14(34)3-4-16(36)37)10-49-55(46,47)52-54(44,45)48-9-13-19(51-53(41,42)43)18(38)24(50-13)33-12-32-17-21(26)30-11-31-22(17)33/h11-13,18-20,24,38-39H,3-10H2,1-2H3,(H,27,34)(H,28,35)(H,29,40)(H,36,37)(H,44,45)(H,46,47)(H2,26,30,31)(H2,41,42,43)/t13-,18-,19-,20+,24-/m1/s1",WZEXTLJNSXEEHK-ITIYDSSPSA-N
DB03906,,2-Phenylheme,experimental,,,,,,2FH,,,,,,,,CC1=C(C=C)C2=CC3=[N+]4C(=CC5=C(C)C(CCC(O)=O)=C6N5[Fe]44N2C1=CC1=[N+]4C(C(CCC(O)=O)=C1C)=C6C1=CC=CC=C1)C(C=C)=C3C,"InChI=1S/C40H38N4O4.Fe/c1-7-26-21(3)30-18-32-23(5)28(14-16-36(45)46)39(43-32)38(25-12-10-9-11-13-25)40-29(15-17-37(47)48)24(6)33(44-40)20-35-27(8-2)22(4)31(42-35)19-34(26)41-30;/h7-13,18-20H,1-2,14-17H2,3-6H3,(H4,41,42,43,44,45,46,47,48);/q;+4/p-2/b30-18-,31-19-,32-18-,33-20-,34-19-,35-20-,39-38-,40-38-;",RHCCVTLDOSIQDM-NULOGZTHSA-L
DB03907,,"N-[(E)-3-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitrobenzamide",experimental,,,,,,CL4,,ZINC000034828673,,84475,,,4369234,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](\C=C\CN([H])C(=O)C4=C(O)C(O)=CC(=C4)[N+]([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C19H19N7O8/c20-16-12-17(23-6-22-16)25(7-24-12)19-15(30)14(29)11(34-19)2-1-3-21-18(31)9-4-8(26(32)33)5-10(27)13(9)28/h1-2,4-7,11,14-15,19,27-30H,3H2,(H,21,31)(H2,20,22,23)/b2-1+/t11-,14-,15-,19-/m1/s1",UHHBFOLQOQSPLU-WGRQDFERSA-N
DB03908,,"N,N-[2,5-O-[Dibenzyl]-glucaryl]-DI-[isoleucyl-amido-methane]",experimental,,,,,,BEI,,ZINC000024495494,,,,,445303,[H]N(C)C(=O)[C@@H](N([H])C(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N([H])[C@@H]([C@@H](C)CC)C(=O)N([H])C)[C@@H](C)CC,"InChI=1S/C34H50N4O8/c1-7-21(3)25(31(41)35-5)37-33(43)29(45-19-23-15-11-9-12-16-23)27(39)28(40)30(46-20-24-17-13-10-14-18-24)34(44)38-26(22(4)8-2)32(42)36-6/h9-18,21-22,25-30,39-40H,7-8,19-20H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t21-,22-,25-,26-,27+,28+,29+,30+/m0/s1",GLKONBHDVMFJNJ-XAOMMOPXSA-N
DB03909,,"Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate",experimental,,,,,,ACP,,ZINC000008295124,CHEMBL133463,50370142,,40532,91532,[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1",UFZTZBNSLXELAL-IOSLPCCCSA-N
DB03910,,"S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea",experimental,,,,,,3BT,,ZINC000003806239,CHEMBL107201,50240717,,,1331,NC(=N)SCCC1=CC(CCSC(N)=N)=CC=C1,"InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)",YEUSLPIIQGZHQB-UHFFFAOYSA-N
DB03911,,L-Xylopyranose,experimental,,,,,,LXC,,,CHEMBL1374069,,,59275,439509,O[C@H]1COC(O)[C@@H](O)[C@@H]1O,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m0/s1",SRBFZHDQGSBBOR-CZBDKTQLSA-N
DB03912,2226-71-3,D-pantetheine 4'-phosphate,experimental,,,,,,PNS,,,,,,4222,115254,CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1",JDMUPRLRUUMCTL-VIFPVBQESA-N
DB03913,64885-97-8,Coenzyme F420,experimental,,,,,,F42,,ZINC000198210272,,,,16848,,C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C2=CC(O)=CC=C2C=C2C(=O)NC(=O)N=C12)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,35-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1",GEHSZWRGPHDXJO-NALJQGANSA-N
DB03914,,"[2-(1-amino-2-hydroxy-propyl)-4-(1H-indol-3-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetaldehyde",experimental,,,,,,CRF,,ZINC000058649799,,,,,,[H]\C(C1=CNC2=CC=CC=C12)=C1\N=C(N(CC(O)=O)C1=O)[C@@]([H])(N)[C@@]([H])(C)O,"InChI=1S/C17H18N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-7,9,15,19,22H,8,18H2,1H3,(H,23,24)/b13-6-/t9-,15+/m1/s1",COQNVMWLDCUFMG-HNGJRXCUSA-N
DB03915,,2-Amino-3-Ketobutyric Acid,experimental,,,,,,AKB,,ZINC000000901672,,,,40673,86289686,CC(=O)[C@H](N)C(O)=O,"InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1",SAUCHDKDCUROAO-VKHMYHEASA-N
DB03916,,4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine,experimental,,,,,,WAI,,ZINC000022921405,CHEMBL1161626,,,,656967,CC1=C(Cl)C=C(NC2=NC(=CC=N2)C2=CC(=NC=C2)N2CCN(CCN)CC2)C=C1,"InChI=1S/C22H26ClN7/c1-16-2-3-18(15-19(16)23)27-22-26-8-5-20(28-22)17-4-7-25-21(14-17)30-12-10-29(9-6-24)11-13-30/h2-5,7-8,14-15H,6,9-13,24H2,1H3,(H,26,27,28)",RHOOHUMOHVIXEF-UHFFFAOYSA-N
DB03917,33631-41-3,N-Ethylretinamide,experimental,,,,,,ETR,,ZINC000012504028,CHEMBL418471,50092057,,,5288173,CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+",WKYDOCGICAMTKE-NBIQJRODSA-N
DB03918,,"6S-5,6,7,8-Tetrahydrobiopterin",experimental,,,,,,BHS,,ZINC000013815072,,,,,135509079,[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@H](O)[C@@H](C)O,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4-,6-/m1/s1",FNKQXYHWGSIFBK-ZMIZWQJLSA-N
DB03919,,Ethyl-Carbamic Acid Methyl Ester,experimental,,,,,,MEC,,ZINC000002560077,,,,,448166,CCNC(=O)OC,"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)",AEARPZNULDFPNQ-UHFFFAOYSA-N
DB03920,,N-Methyl-Alpha-Beta-Dehydroalanine,experimental,,,,,,DAM,,,,,,,134856,CNC(=C)C(O)=O,"InChI=1S/C4H7NO2/c1-3(5-2)4(6)7/h5H,1H2,2H3,(H,6,7)",FLEYLGCAQDCGHN-UHFFFAOYSA-N
DB03921,,4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline,experimental,,,,,,PY1,,ZINC000015894680,CHEMBL261454,21492,,91198,447966,N1C=C(C(=N1)C1=NC=CC=C1)C1=C2C=CC=CC2=NC=C1,"InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)",IBCXZJCWDGCXQT-UHFFFAOYSA-N
DB03923,,Feruloyl Coenzyme A,experimental,,,,,,FRE,,ZINC000169621243,,,,,44229079,COC1=CC(\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)=CC(O)=C1O,"InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,24-,25-,26+,30-/m1/s1",ILSPFIPSQSFPCN-VYBUCKLUSA-N
DB03924,,"5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone",experimental,,,,,,MNY,,ZINC000004734942,CHEMBL572879,11315,,,85466,NC1=CC=C(N)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2",QVEMRPAUHFWHRV-UHFFFAOYSA-N
DB03925,208848-19-5,Freselestat,"['experimental', 'investigational']",,,,,,681,,ZINC000003874559,,,,,46936829,CC(C)[C@@H](NC(=O)CN1C(=O)C(N)=CN=C1C1=CC=CC=C1)[C@@H](O)C1=NN=C(O1)C(C)(C)C,"InChI=1S/C23H30N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17-18,31H,12,24H2,1-5H3,(H,26,30)/t17-,18-/m1/s1",HMPQTEPEMQZWQH-QZTJIDSGSA-N
DB03926,5856-11-1,"5alpha-androstane-3beta,17alpha-diol",experimental,,,,,,AON,,ZINC000006500050,,,,40836,446934,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1",CBMYJHIOYJEBSB-MFXFBURESA-N
DB03927,,Glycyl-L-alpha-amino-epsilon-pimelyl-D-alanine,experimental,,,,,,REY,,ZINC000003581164,,,,,446307,[H]N([H])CC(=O)N([H])[C@@H](CCCCC(=O)N([H])[C@H](C)C(O)=O)C(O)=O,"InChI=1S/C12H21N3O6/c1-7(11(18)19)14-9(16)5-3-2-4-8(12(20)21)15-10(17)6-13/h7-8H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t7-,8+/m1/s1",ZMQJQOKNTYQVHO-SFYZADRCSA-N
DB03928,,"Carboxymethylthio-3-(3-Chlorophenyl)-1,2,4-Oxadiazol",experimental,,,,,,CCO,,ZINC000003581238,,,,,446195,OC(=O)CSC1=NC(=NO1)C1=CC=CC(Cl)=C1,"InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-6(4-7)9-12-10(16-13-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)",BGDMJXZYDKFEGJ-UHFFFAOYSA-N
DB03929,312-84-5,D-Serine,"['experimental', 'approved']",11846403,,,1742747,,DSN,,ZINC000000895342,CHEMBL285123,23167,CTP-692,16523,71077,N[C@H](CO)C(O)=O,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",MTCFGRXMJLQNBG-UWTATZPHSA-N
DB03930,,4-Methyl-Pyrroline-5-Carboxylic Acid,experimental,,,,,,BGX,,ZINC000012504035,,,,41149,5287781,[H][C@@]1(C)C=CN[C@@]1([H])C(O)=O,"InChI=1S/C6H9NO2/c1-4-2-3-7-5(4)6(8)9/h2-5,7H,1H3,(H,8,9)/t4-,5-/m1/s1",ZVJPMCWYCLEWPG-RFZPGFLSSA-N
DB03931,,Diguanosine-5'-Triphosphate,experimental,,,,,,GP3,,ZINC000085426282,,,,,135450902,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O,"InChI=1S/C20H27N10O18P3/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(45-17)1-43-49(37,38)47-51(41,42)48-50(39,40)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",AAXYAFFKOSNMEB-MHARETSRSA-N
DB03932,,LFA703,experimental,,,,,,AAY,,ZINC000003993474,,,,,449169,[H][C@](C)(CC)C(=O)O[C@@]1([H])C[C@@]([H])(C)C=C2C=C[C@]([H])(C)[C@]([H])(CC[C@@]3([H])C[C@@]([H])(O)CC(=O)N3CC3=CC4=C(C=C3)C(CO)=C(OC)C=C4)[C@@]12[H],"InChI=1S/C37H49NO6/c1-6-23(3)37(42)44-34-16-22(2)15-27-9-7-24(4)30(36(27)34)13-11-28-18-29(40)19-35(41)38(28)20-25-8-12-31-26(17-25)10-14-33(43-5)32(31)21-39/h7-10,12,14-15,17,22-24,28-30,34,36,39-40H,6,11,13,16,18-21H2,1-5H3/t22-,23-,24-,28-,29+,30-,34-,36-/m0/s1",WPVRNXUYVXQXPY-YFAYRSKXSA-N
DB03933,,C-1027 Aromatized chromophore,experimental,,,,,,ROM,,,,,,,5289301,[H]N1C(=O)C(=C)OC2=CC(OC)=CC(C(=O)O[C@H]3COC(=O)C[C@@H](C4=CC(O)=C(O[C@]5([H])C6=C(C=C3C=C6)C3=CC=C[C@]53O[C@@H]3OC(C)(C)[C@H]([C@@H](O)[C@H]3O)N(C)C)C(Cl)=C4)[N+]([H])([H])[H])=C12,"InChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/p+1/t28-,31-,34-,35+,37-,38+,41-,43+/m0/s1",SAWXMTQYIIZWNU-RGEBLUSTSA-O
DB03934,,Zinc protoporphyrin,experimental,,,,,,ZNH,,,,,,28783,,[Zn++].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C=C)C(C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C)=C4C=C)/C(C)=C3CCC(O)=O,"InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",FUTVBRXUIKZACV-RGGAHWMASA-L
DB03935,,"1,4-Dideoxy-O2-Sulfo-Glucuronic Acid",experimental,,,,,,IDU,,ZINC000034920355,,,,,49867144,[H][C@]1(O)O[C@@]([H])(C(O)=O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O,"InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4-,6+/m1/s1",COJBCAMFZDFGFK-TVSWGBMESA-N
DB03936,,1-Deoxy-Ribofuranose-5'-Phosphate,experimental,,,,,,,,ZINC000012504040,,,,,5289299,[H][C@]1(O)CO[C@]([H])(COP(O)(O)=O)[C@]1([H])O,"InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1",CYZZKTRFOOKUMT-VPENINKCSA-N
DB03937,585-18-2,D-erythrose 4-phosphate,experimental,,,,,,E4P,,ZINC000032786787,CHEMBL1232448,,,48153,122357,[H]C(=O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1",NGHMDNPXVRFFGS-IUYQGCFVSA-N
DB03938,26924-74-3,Deacetoxycephalosporin C,experimental,,,,,,P1C,,,,,,18229,160139,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O,"InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1",NNQIJOYQWYKBOW-JWKOBGCHSA-N
DB03939,,"(4S)-4-hydroxy-3,4-dihydro-2(1H)-pyrimidinone",experimental,,,,,,HPY,,ZINC000005835317,,,,,446637,[H]N1C=C[C@H](O)N([H])C1=O,"InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1",DEAAWXYGBWCVJW-VKHMYHEASA-N
DB03940,471-47-6,Oxamic Acid,experimental,,,,,,OXM,,ZINC000004658565,CHEMBL15976,23222,,18058,974,NC(=O)C(O)=O,"InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)",SOWBFZRMHSNYGE-UHFFFAOYSA-N
DB03941,1987-50-4,p-Heptylphenol,experimental,,,,,,EPT,,ZINC000002012798,CHEMBL149752,,,34438,16143,CCCCCCCC1=CC=C(O)C=C1,"InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3",KNDDEFBFJLKPFE-UHFFFAOYSA-N
DB03942,,Carboxylic PRPP,experimental,,,,,,PCP,,ZINC000012504044,,,,,444189,[H][C@]1(O)[C@@]([H])(O)[C@]([H])(C[C@]1([H])COP(O)(O)=O)OP(O)(=O)OP(O)(O)=O,"InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1",OICBXEWBKALHHB-MOJAZDJTSA-N
DB03943,2058-58-4,D-Asparagine,experimental,,,,,,DSG,,ZINC000001529313,CHEMBL1232369,,,28159,439600,N[C@H](CC(N)=O)C(O)=O,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1",DCXYFEDJOCDNAF-UWTATZPHSA-N
DB03944,,"5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One",experimental,,,,,,EMD,,,,,,,446286,[H][C@]1(C)SC(=O)NN=C1C1=CC2=C(C=C1)N(CCC2)C(=O)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m1/s1",IZLRMTJLQCLMKF-CYBMUJFWSA-N
DB03945,3616-04-4,"N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium",experimental,,,,,,PC,,ZINC000001532692,CHEMBL1235161,,,18132,1014,C[N+](C)(C)CCOP(O)(O)=O,"InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1",YHHSONZFOIEMCP-UHFFFAOYSA-O
DB03946,99-50-3,"3,4-Dihydroxybenzoic Acid",experimental,,,,,,DHB,,ZINC000000013246,CHEMBL37537,50100861,,36062,72,OC(=O)C1=CC=C(O)C(O)=C1,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",YQUVCSBJEUQKSH-UHFFFAOYSA-N
DB03947,551-84-8,D-Xylulose,experimental,,,,,,QDK,,ZINC000000902219,,,,16880,644111,OC[C@H](O)[C@H](O)C(=O)CO,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1",ZAQJHHRNXZUBTE-UCORVYFPSA-N
DB03948,,"6-Chloropurine Riboside, 5'-Monophosphate",experimental,,,,,,CPR,,,,,,,17753915,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(Cl)[NH+]=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1",ALOBOMYIOYNCBS-KQYNXXCUSA-O
DB03949,,N-[(2S)-3-Phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-tyrosine,experimental,,,,,,TI2,,ZINC000012504054,CHEMBL277238,50050160,,,5289470,[H]N([C@@H](CC1=CC=CC=C1)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(=O)[C@@H](S)CC1=CC=CC=C1,"InChI=1S/C27H28N2O5S/c30-21-13-11-20(12-14-21)16-23(27(33)34)29-25(31)22(15-18-7-3-1-4-8-18)28-26(32)24(35)17-19-9-5-2-6-10-19/h1-14,22-24,30,35H,15-17H2,(H,28,32)(H,29,31)(H,33,34)/t22-,23-,24-/m0/s1",GIVBBFGMRNXKPE-HJOGWXRNSA-N
DB03950,,(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide,experimental,,,,,,SBS,,ZINC000003581175,,,,,446277,[H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@H](C)CN1C=CC2=CC=CC=C12,"InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m0/s1",ZFWHOUCRVSOZJE-AWEZNQCLSA-N
DB03951,,N-acetyl-D-glucosamine-6-phosphate,experimental,,,,,,16G,,,,,,15784,440996,CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,"InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1",BRGMHAYQAZFZDJ-RTRLPJTCSA-N
DB03952,,9-(6-deoxy-beta-D-allofuranosyl)-6-methylpurine,experimental,,,,,,DBM,,ZINC000006521062,,,,,447724,[H][C@](C)(O)[C@@]1([H])O[C@@]([H])(N2C=NC3=C(C)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8+,9-,10-,12-/m1/s1",XJZDIUOABWMPLZ-FHQKJXBVSA-N
DB03953,156719-37-8,Thiocitrulline,experimental,,,,,,SCI,,ZINC000003873047,CHEMBL93247,50095201,,,6992122,[H]N([H])[C@@H](CCCN([H])C(=S)N([H])[H])C(O)=O,"InChI=1S/C6H13N3O2S/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",BKGWACHYAMTLAF-BYPYZUCNSA-N
DB03955,84444-90-6,1-deoxymannojirimycin,experimental,,,,,,DMJ,,ZINC000003995890,CHEMBL84844,50065259,,,72258,[H][C@@]1(O)CN[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1",LXBIFEVIBLOUGU-KVTDHHQDSA-N
DB03956,91840-07-2,"Inositol 2,4,5-trisphosphate",experimental,,,,,,I2P,,ZINC000013541740,,,,,122195,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4-,5+,6+/m0/s1",MMWCIQZXVOZEGG-LKPKBOIGSA-N
DB03957,,SP2456,experimental,,,,,,FRB,,ZINC000014880973,CHEMBL106187,50148008,,,447945,[H]N([H])C(=N[C@H](C1CCCCC1)C(=O)N([H])CC(=O)N1CCC(CC1)C1=CC(=NN1[H])C1=C(Cl)C(Cl)=CC=C1)N([H])[H],"InChI=1S/C25H33Cl2N7O2/c26-18-8-4-7-17(22(18)27)20-13-19(32-33-20)15-9-11-34(12-10-15)21(35)14-30-24(36)23(31-25(28)29)16-5-2-1-3-6-16/h4,7-8,13,15-16,23H,1-3,5-6,9-12,14H2,(H,30,36)(H,32,33)(H4,28,29,31)/t23-/m1/s1",SSSXBBASYYVGCI-HSZRJFAPSA-N
DB03958,,7-methyl-guanosine-5'-triphosphate-5'-guanosine,experimental,,,,,,GTG,,ZINC000085547903,,,,191209,135442196,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN(C)C3=C2N([H])C(=NC3=O)N([H])[H])[C@@H](O)[C@H]1O,"InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1",FHHZHGZBHYYWTG-INFSMZHSSA-O
DB03959,,"N,O6-Disulfo-Glucosamine",experimental,,,,,,SGN,,,,,,,444389,[H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O,"InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1",DQTRACMFIGDHSN-UKFBFLRUSA-N
DB03960,,Cp-Coeleneterazine,experimental,,,,,,CZP,,ZINC000103537804,,,,,98454432,[H][C@@]1(CC2CCCC2)NC(=CN2C(=O)[C@](CC3=CC=C(O)C=C3)(OO)N=C12)C1=CC=C(O)C=C1,"InChI=1S/C25H27N3O5/c29-19-9-5-17(6-10-19)14-25(33-32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21-,25-/m0/s1",XOSFCMOTHZJUQK-OFVILXPXSA-N
DB03961,,"2c-Methyl-D-Erythritol 2,4-Cyclodiphosphate",experimental,,,,,,CDI,,ZINC000008419115,,,,18425,126747,[H][C@@]1(O)COP(O)(=O)OP(O)(=O)O[C@@]1(C)CO,"InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1",SFRQRNJMIIUYDI-UHNVWZDZSA-N
DB03962,,Nicotinamide 8-bromo-adenine dinucleotide phosphate,experimental,,,,,,NBP,,,,,,,5288989,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C(Br)=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,"InChI=1S/C21H27BrN7O17P3/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(45-47(34,35)36)13(31)10(44-20)6-42-49(39,40)46-48(37,38)41-5-9-12(30)14(32)19(43-9)28-3-1-2-8(4-28)17(24)33/h1-4,7,9-10,12-15,19-20,30-32H,5-6H2,(H7-,23,24,25,26,33,34,35,36,37,38,39,40)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1",MDKMTCCUJSRQGW-NAJQWHGHSA-N
DB03963,,S-(Dimethylarsenic)Cysteine,experimental,,,,,,CAS,,,,,,,17753880,[H][C@](N)(CS[As](C)C)C(O)=O,"InChI=1S/C5H12AsNO2S/c1-6(2)10-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1",UKLXSOVDMSQHMM-BYPYZUCNSA-N
DB03964,,4-Hydroxy-Aconitate Ion,experimental,,,,,,ATH,,,,,,,5287714,[H]\C(C([O-])=O)=C(/C([O-])=O)[C@@]([H])(O)C([O-])=O,"InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h1,4,9H,(H,7,8)(H,10,11)(H,12,13)/p-3/b2-1+/t4-/m1/s1",WUUVSJBKHXDKBS-ROFOPDMZSA-K
DB03966,39868-96-7,Clorobiocin,experimental,"['9144789', '7050623']",,,,,CBN,,ZINC000004102306,CHEMBL303984,50330317,,,54706138,CO[C@@H]1[C@@H](OC(=O)C2=CC=C(C)N2)[C@@H](O)[C@H](OC2=C(Cl)C3=C(C=C2)C(O)=C(NC(=O)C2=CC(CC=C(C)C)=C(O)C=C2)C(=O)O3)OC1(C)C,"InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1",FJAQNRBDVKIIKK-LFLQOBSNSA-N
DB03967,151-41-7,Dodecyl sulfate,experimental,,,,1362927,,SDS,,ZINC000001532179,CHEMBL1204779,,,45599,8778,CCCCCCCCCCCCOS(O)(=O)=O,"InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)",MOTZDAYCYVMXPC-UHFFFAOYSA-N
DB03968,,"1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine",experimental,,,,,,,,,,,,43533,444570,CN1C(=O)CCC1(C)C,"InChI=1S/C7H13NO/c1-7(2)5-4-6(9)8(7)3/h4-5H2,1-3H3",YARDEGUIPATLSG-UHFFFAOYSA-N
DB03970,,"(7R)-7-(6,7-Dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid",experimental,,,,,,WY2,,ZINC000031976933,,,,,447998,[H][C@]1(SCC(=NC=C1C(O)=O)C(O)=O)C1=CN2C(SC3=C2CCC3)=N1,"InChI=1S/C15H13N3O4S2/c19-13(20)7-4-16-9(14(21)22)6-23-12(7)8-5-18-10-2-1-3-11(10)24-15(18)17-8/h4-5,12H,1-3,6H2,(H,19,20)(H,21,22)/t12-/m1/s1",CHNMLWCTGYMVFH-GFCCVEGCSA-N
DB03971,,Acarbose Derived Hexasaccharide,experimental,,,,,,6SA,,ZINC000263620734,,,,,449167,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C37H63NO28/c1-8-15(19(46)26(53)35(59-8)65-31-12(5-41)62-34(28(55)23(31)50)58-7-14-18(45)20(47)25(52)33(57)60-14)38-10-2-9(3-39)30(22(49)16(10)43)64-37-29(56)24(51)32(13(6-42)63-37)66-36-27(54)21(48)17(44)11(4-40)61-36/h2,8,10-57H,3-7H2,1H3/t8-,10+,11-,12-,13-,14-,15-,16+,17-,18-,19+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-/m1/s1",MBNITLCAVXHYER-DHAMQIFDSA-N
DB03972,,"2-Amino-4h-1,3-Benzoxathiin-4-Ol",experimental,,,,,,STH,,ZINC000012504068,,,,,49867689,[H][C@]1(N)OC2=CC=CC=C2[C@]([H])(O)S1,"InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1",DVFUKUONLVBBEH-SFYZADRCSA-N
DB03973,,"3-[2,6,8-Trioxo-9-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]propyl dihydrogen phosphate",experimental,,,,,,T4P,,ZINC000032304140,,,,,657026,[H]N1C2=C(N(CCCOP(O)(O)=O)C(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)CO)C(=O)N([H])C1=O,"InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7-,9-/m1/s1",KPHFGOGGKPGLTM-ZXFLCMHBSA-N
DB03974,156-86-5,L-homoarginine,experimental,,,,,,HRG,,ZINC000001529320,CHEMBL589752,50309588,,27747,9085,N[C@@H](CCCCNC(N)=N)C(O)=O,"InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1",QUOGESRFPZDMMT-YFKPBYRVSA-N
DB03975,,Mercuribenzoic Acid,experimental,,,,,,MBO,,,,,,28886,8747,OC(=O)C1=CC=C([Hg])C=C1,"InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h2-5H,(H,8,9);",FVFZSVRSDNUCGG-UHFFFAOYSA-N
DB03976,,Phosphorylisopropane,experimental,,,,,,ISP,,ZINC000001673625,CHEMBL144888,,,44052,15391,CC(C)OP(O)(O)=O,"InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)",QPPQHRDVPBTVEV-UHFFFAOYSA-N
DB03977,19253-88-4,Trimethyllysine,experimental,,,,,,M3L,,ZINC000001529747,CHEMBL1234168,,,58100,440121,C[N+](C)(C)CCCC[C@H](N)C(O)=O,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",MXNRLFUSFKVQSK-QMMMGPOBSA-O
DB03978,,Tyrosinal,experimental,,,,,,TYB,,ZINC000002043207,,,,46209,445993,[H][C@](N)(CC1=CC=C(O)C=C1)C=O,"InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/t8-/m0/s1",DXGAIOIQACHYRK-QMMMGPOBSA-N
DB03979,,1-[Glycerolylphosphonyl]-2-[8-(2-Hexyl-Cyclopropyl)-Octanal-1-Yl]-3-[Hexadecanal-1-Yl]-Glycerol,experimental,,,,,,DGG,,,,,,,131704264,[H]C(O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC[C@@]1([H])C[C@@]1([H])CCCCCC,"InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36?,37-/m1/s1",JWIOKCJPLNKYBQ-JIZALCTLSA-N
DB03980,,4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole,experimental,,,,,,SB5,,,CHEMBL590753,15238,,,5172,NC1=NC(=CC=N1)C1=C(N=CN1CC1CC1)C1=CC=C(F)C=C1,"InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)",DFEYXQGDDCDXJK-UHFFFAOYSA-N
DB03981,,"1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid",experimental,,,,,,UAP,,ZINC000005834516,,,,,444552,[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O)C(O)=O,"InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4+,6+/m0/s1",VJIMUKBSNUBECH-YKKSOZKNSA-N
DB03982,,"Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid",experimental,,,,,,794,,ZINC000002047608,CHEMBL64934,13952,,,447411,OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=C1C=CC=C2,"InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)",WQWCUHJIERBOSM-UHFFFAOYSA-N
DB03983,,"{[2-Amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)sulfanylmolybdenum",experimental,,,,,,MTQ,,,,,,,,NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@@H](COP(O)(O)=O)C2=C3S[Mo](S)(=O)(=O)S2)C(=O)N1,"InChI=1S/C10H14N5O6PS2.Mo.2O.H2S/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;;1H2/q;+3;;;/p-3/t2-,3-,9+;;;;/m0..../s1",SQVSRPVEMXBYTQ-ZLGQENBPSA-K
DB03984,,Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide,experimental,,,,,,C4P,,ZINC000012504073,,,,,5287870,[H][C@@](CSCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)N1CCOCC1)C=O,"InChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1",MWTQNXVXPLTHJB-YADHBBJMSA-N
DB03985,,R-azabisabolene,experimental,,,,,,RAZ,,,,,,,5289266,C[N@@H+](CCC=C(C)C)[C@H]1CCC(C)=CC1,"InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1",GGPFTSMJRHEOJG-CQSZACIVSA-O
DB03986,,6-methyl-formycin A,experimental,,,,,,FM2,,ZINC000004617929,,,,,446658,[H][C@]1(O[C@H](CO)[C@@H](O)[C@H]1O)C1=C2N=C[N+](C)=C(N)C2=NN1,"InChI=1S/C11H15N5O4/c1-16-3-13-5-6(14-15-7(5)11(16)12)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,14,15)/p+1/t4-,8-,9-,10+/m1/s1",UHYKIYIKTWEXSX-LFAOKBQASA-O
DB03987,,"2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine",experimental,,,,,,COQ,,ZINC000002047758,CHEMBL36245,50051923,,,447022,COC1=CC(OC)=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=C1,"InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)",XWCCXDBXMCTZPW-UHFFFAOYSA-N
DB03988,,"2,6-Diamino-Hexanoic Acid Amide",experimental,,,,,,LYN,,,,,,,17754068,N[C@@H](CCCC[NH3+])C(N)=O,"InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/p+1/t5-/m0/s1",HKXLAGBDJVHRQG-YFKPBYRVSA-O
DB03989,2595-97-3,D-Allopyranose,experimental,,,,,,ALL,,,CHEMBL1222152,,,4093,439507,OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1",WQZGKKKJIJFFOK-IVMDWMLBSA-N
DB03990,,4'-nitrophenyl-3i-thiolaminaritrioside,experimental,,,,,,LAM,,,,,,,131704265,[H][C@]1(CO)O[C@@]([H])(S[C@@]2([H])[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC3([H])C([H])(O)C([H])(CO)OC([H])(OC4=CC=C(C=C4)N(=O)=O)C3([H])O)[C@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C24H35NO17S/c26-5-10-13(29)16(32)17(33)24(41-10)43-21-15(31)12(7-28)40-23(19(21)35)42-20-14(30)11(6-27)39-22(18(20)34)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11?,12-,13-,14?,15-,16+,17-,18?,19-,20?,21+,22?,23+,24+/m1/s1",VWNONHZCCMYIGR-VGNFVTAUSA-N
DB03991,24967-27-9,"2-deoxy-2,3-dehydro-N-acetylneuraminic acid",experimental,,,,,,DAN,,ZINC000004096465,CHEMBL96712,4706,,28062,65309,[H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1",JINJZWSZQKHCIP-UFGQHTETSA-N
DB03992,,3-(Benzoylamino)-L-Alanine,experimental,,,,,,DBZ,,,,,,,14233317,N[C@@H](CNC(=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C10H12N2O3/c11-8(10(14)15)6-12-9(13)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)(H,14,15)/t8-/m0/s1",BMHTVISVLHMFTC-QMMMGPOBSA-N
DB03993,646-07-1,Isocaproic acid,experimental,,,,,,4MV,,ZINC000000391113,CHEMBL1230308,,,74903,12587,CC(C)CCC(O)=O,"InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",FGKJLKRYENPLQH-UHFFFAOYSA-N
DB03994,141-43-5,Ethanolamine,experimental,,,D05074,24457,,ETA,,ZINC000008214617,CHEMBL104943,7973,OLAMINE,16000,700,NCCO,"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2",HZAXFHJVJLSVMW-UHFFFAOYSA-N
DB03995,7585-39-9,Betadex,experimental,,,,1362685,,,2971,,CHEMBL415690,11,BETADEX,495055,444041,[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O,"InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1",WHGYBXFWUBPSRW-FOUAGVGXSA-N
DB03996,,"3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol",experimental,,,,,,L47,,ZINC000012504084,,,,,5288685,[H][C@]1(CC(=NN1C(C)=O)C1=C(Cl)C=CC=C1)C1=CC=CC(O)=C1,"InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3/t17-/m0/s1",QBZAPFWYAPXRGQ-KRWDZBQOSA-N
DB03997,25679-93-0,L-histidinol phosphate,experimental,,,,,,HSA,,ZINC000002042976,,,,16996,439398,N[C@H](COP(O)(O)=O)CC1=CNC=N1,"InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1",CWNDERHTHMWBSI-YFKPBYRVSA-N
DB03998,,"[2-(Methyleneamine)-4-(4-Hydroxy-Benzylidine)-5-Oxo-4,5-Dihydro-Imidazol-1-Yl]-Acetaldehyde",experimental,,,,,,CR2,,ZINC000058632170,,,,,49866821,[H]\C(=C1\N=C(CN)N(CC(O)=O)C1=O)C1=CC=C(O)C=C1,"InChI=1S/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5-",IZZXWFHPOZIXIE-YHYXMXQVSA-N
DB03999,,Butylphosphonate,experimental,,,,,,CCP,,ZINC000029786428,,,,41384,76839,CCCCP(O)(O)=O,"InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)",UOKRBSXOBUKDGE-UHFFFAOYSA-N
DB04000,,Bromo-Willardiine,experimental,,,,,,BWD,,,CHEMBL333964,50060636,,,167842,N[C@@H](CN1C=C(Br)C(=O)NC1=O)C(O)=O,"InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1",AEKIJKSVXKWGRJ-BYPYZUCNSA-N
DB04001,,6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid,experimental,,,,,,OAI,,,CHEMBL342478,50118796,,,444763,OC(=O)C(=O)NC1=CC2=C(C=CN2)C=C1C(O)=O,"InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)",AHWMERGBWWROMM-UHFFFAOYSA-N
DB04002,,4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide,experimental,,,,,,STB,,ZINC000003871035,CHEMBL119084,,,,1759,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCCNCS,"InChI=1S/C12H19N3O3S2/c13-20(17,18)11-5-3-10(4-6-11)12(16)15-8-2-1-7-14-9-19/h3-6,14,19H,1-2,7-9H2,(H,15,16)(H2,13,17,18)",XLYYIFIRODREFK-UHFFFAOYSA-N
DB04003,,{4-[(2S)-2-Acetamido-3-({(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid,experimental,,,,,,CC0,,ZINC000014880990,,,,,446300,[H]N([H])C(=O)C1=C(OCC2CCCCC2)C=CC(=C1)[C@H](C)N([H])C(=O)[C@H](CC1=CC(=C(OCC(O)=O)C=C1)P(O)(O)=O)N([H])C(C)=O,"InChI=1S/C29H38N3O10P/c1-17(21-9-11-24(22(14-21)28(30)36)41-15-19-6-4-3-5-7-19)31-29(37)23(32-18(2)33)12-20-8-10-25(42-16-27(34)35)26(13-20)43(38,39)40/h8-11,13-14,17,19,23H,3-7,12,15-16H2,1-2H3,(H2,30,36)(H,31,37)(H,32,33)(H,34,35)(H2,38,39,40)/t17-,23-/m0/s1",FXUGQWABROMTDA-SBUREZEXSA-N
DB04004,,"2,6-Diamino-8-(2-Dimethylaminoethylsulfanylmethyl)-3h-Quinazolin-4-One",experimental,,,,,,BHB,,ZINC000005848665,,,,,135445363,CN(C)CCSCC1=C2N=C(N)NC(=O)C2=CC(N)=C1,"InChI=1S/C13H19N5OS/c1-18(2)3-4-20-7-8-5-9(14)6-10-11(8)16-13(15)17-12(10)19/h5-6H,3-4,7,14H2,1-2H3,(H3,15,16,17,19)",FDIXHXDLCOSDFY-UHFFFAOYSA-N
DB04005,63-39-8,Uridine 5'-triphosphate,"['experimental', 'investigational']",,,,,,UTP,3639,ZINC000003861755,CHEMBL336296,50118213,URIDINE TRIPHOSPHATE,15713,6133,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,"InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",PGAVKCOVUIYSFO-XVFCMESISA-N
DB04006,,"[2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone",experimental,,,,,,PM1,,,CHEMBL189607,6676,,,5289179,NC1=C(N2C=C(C=CC2=N1)C(=O)C1=C(F)C=CC=C1F)C(=O)C1=CC=CC=C1,"InChI=1S/C21H13F2N3O2/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2",WUGJIPFLBOATGL-UHFFFAOYSA-N
DB04007,,Bromo-WR99210,experimental,,,,,,WRB,,ZINC000002046960,CHEMBL126726,,,,2429,CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC=C(Br)C=C1,"InChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19)",MPXYCOHVHSXSDC-UHFFFAOYSA-N
DB04008,,Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium,experimental,,,,,,BAZ,,,,,,,,[Zn++].NC(=[NH2+])C1=CC2=C([N-]C(CC3=NC4=C([N-]3)C=CC(=C4)C(N)=[NH2+])=N2)C=C1,"InChI=1S/C17H14N8.Zn/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15;/h1-6H,7H2,(H6-2,18,19,20,21,22,23,24,25);/q-2;+2/p+2",MXICWYSXOKPLOW-UHFFFAOYSA-P
DB04009,,Dimethyl Propionate Ester Heme,experimental,,,,,,HDM,,,,,,,,COC(=O)CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5N6C(=CC7=C(C)C(CCC(=O)OC)=C8C=C1N2[Fe@@]6(N78)N34)C(C)=C5C=C,"InChI=1S/C36H36N4O4.Fe/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-4;+4/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-;",BKKVXUGDBLTOLY-YPFLCKFZSA-N
DB04010,,2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide,experimental,,,,,,BZC,,ZINC000011565446,CHEMBL134022,50093373,,,1511,COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O,"InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)",NVVWVYYHTKCIAE-UHFFFAOYSA-N
DB04011,,"2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole",experimental,,,,,,BBZ,,ZINC000002047210,,,,,448202,CN(C)C1=CC=C(C=C1)C1=NC2=C(N1)C=CC(=C2)C1=NC2=C(N1)C=C(C=C2)N1CCN(C)CC1,"InChI=1S/C27H29N7/c1-32(2)20-7-4-18(5-8-20)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-9-21(17-25(23)31-27)34-14-12-33(3)13-15-34/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)(H,29,31)",VMCOQLKKSNQANE-UHFFFAOYSA-N
DB04012,,"(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine",experimental,,,,,,TST,,ZINC000006522612,,,,,446411,[H][C@@](CC(C)C)(NC(=O)[C@]1([H])CSCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,"InChI=1S/C18H26N2O5S2/c1-12(2)10-15(18(22)23)19-17(21)16-11-26-9-8-20(16)27(24,25)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1",GFEHACHKMVZGNQ-HOTGVXAUSA-N
DB04013,,1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide,experimental,,,,,,CRA,,ZINC000004134471,CHEMBL133097,50057731,,,444456,[H]N([H])C(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([H])C(=O)OC,"InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m1/s1",ZQTAMPRAONLFQI-FMTWGGRWSA-N
DB04014,,Alsterpaullone,experimental,,,,,,ATU,,ZINC000000023894,CHEMBL50894,7262,,138488,5005498,[O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1,"InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)",OLUKILHGKRVDCT-UHFFFAOYSA-N
DB04015,,Methionine Phosphinate,experimental,,,,,,MPJ,,ZINC000029326788,,,,,5288837,CSCC[C@H](N)P(O)=O,"InChI=1S/C4H12NO2PS/c1-9-3-2-4(5)8(6)7/h4,8H,2-3,5H2,1H3,(H,6,7)/t4-/m1/s1",CZRBNMUARBZMHQ-SCSAIBSYSA-N
DB04016,,2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid,experimental,,,,,,OHH,,ZINC000024666930,,,,,656932,CN(C1CCN(CC1)C(=O)C1=CC2=CC=CC=C2C=C1)C(=O)C1=CC2=CC=CC=C2C=C1C(=O)[C@@H](C1=CC=CC2=CC=CC=C12)P(O)(O)=O,"InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)/t38-/m1/s1",XUJQPDQURBZEGJ-KXQOOQHDSA-N
DB04017,17780-72-2,Clorgiline,experimental,,,D03248,,,MLG,,ZINC000022200090,CHEMBL8706,15581,,3763,4380,CN(CCCOC1=CC=C(Cl)C=C1Cl)CC#C,"InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3",BTFHLQRNAMSNLC-UHFFFAOYSA-N
DB04018,,S-Isopropyl-Isothiourea,experimental,,,,,,IPU,,ZINC000003806248,CHEMBL483091,50271827,,,445319,CC(C)SC(N)=N,"InChI=1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)",XSSNABKEYXKKMK-UHFFFAOYSA-N
DB04020,,"4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol",experimental,,,,,,MON,,ZINC000001553578,CHEMBL346455,50121626,,,9957008,OC1=CC=C(CCNC2=NC(SCCCC3=CC=C(Cl)C=C3)=NC(=N2)N2CCNCC2)C=C1,"InChI=1S/C24H29ClN6OS/c25-20-7-3-18(4-8-20)2-1-17-33-24-29-22(27-12-11-19-5-9-21(32)10-6-19)28-23(30-24)31-15-13-26-14-16-31/h3-10,26,32H,1-2,11-17H2,(H,27,28,29,30)",AIBKIFHSQQYXLG-UHFFFAOYSA-N
DB04021,,MF268,experimental,,,,,,MF2,,ZINC000012504100,,,,,5288799,[H][C@]1(C)CN(CCCCCCCCNC=O)C[C@@]([H])(C)O1,"InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+",UXVBAZRPAJEAHR-GASCZTMLSA-N
DB04022,33503-72-9,Guanosine tetraphosphate,experimental,,,,,,G4P,,ZINC000008217069,,,,17633,439450,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H]2O)C(=O)N1,"InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",BUFLLCUFNHESEH-UUOKFMHZSA-N
DB04023,,GDP-alpha-D-mannuronic acid,experimental,,,,,,GDX,,ZINC000008216635,,,,85507,135398576,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)C(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/t3-,5-,6+,7+,8-,9+,10+,13-,15-/m1/s1",DNBSDUDYNPJVCN-ZXTXFPBHSA-N
DB04024,,Serine-3'-aminoadenosine,experimental,,,,,,A3S,,ZINC000016051527,,,,,448726,[H]N([H])[C@@H](CO)C(=O)N([H])[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],"InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,7+,9+,13+/m0/s1",ITDKSTILAWHDJI-AYEBZEFBSA-N
DB04026,135-97-7,Pseudotropine,experimental,,,,,,PTO,,ZINC000100019971,CHEMBL1235490,,,15742,,[H][C@]12CC[C@]([H])(C[C@@]([H])(O)C1)N2C,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-",CYHOMWAPJJPNMW-RNLVFQAGSA-N
DB04027,157-06-2,D-arginine,experimental,,,,1742746,,DAR,,ZINC000001532749,CHEMBL212301,,,15816,71070,N[C@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1",ODKSFYDXXFIFQN-SCSAIBSYSA-N
DB04028,5658-12-8,Tyvelose,experimental,,,,,,TYV,,ZINC000006488820,,,,59988,448819,[H][C@]1(O)C[C@]([H])(O)[C@@]([H])(O)O[C@]1([H])C,"InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1",KYPWIZMAJMNPMJ-VANKVMQKSA-N
DB04029,5241-58-7,Phenylalanylamide,experimental,,,,,,NFA,,ZINC000016051972,CHEMBL350320,50308386,,21371,445694,N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1",OBSIQMZKFXFYLV-QMMMGPOBSA-N
DB04030,,"1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole",experimental,,,,,,826,,ZINC000006393401,CHEMBL72232,8767,,,4470577,OC1=CC=C(CN2C3=C(CCN(C3)C(=O)C3=CC=C(O)C=C3)C3=CC=CC=C23)C=C1,"InChI=1S/C25H22N2O3/c28-19-9-5-17(6-10-19)15-27-23-4-2-1-3-21(23)22-13-14-26(16-24(22)27)25(30)18-7-11-20(29)12-8-18/h1-12,28-29H,13-16H2",ADXYEWMDAGIULV-UHFFFAOYSA-N
DB04031,,Serine vanadate,experimental,,,,,,SVA,,,,,,,,N[C@@H](CO[V](O)([O-])([O-])[O-])C(O)=O,"InChI=1S/C3H6NO3.H2O.3O.V/c4-2(1-5)3(6)7;;;;;/h2H,1,4H2,(H,6,7);1H2;;;;/q-1;;3*-1;+2/p-1/t2-;;;;;/m0...../s1",SYKYEBJDHHGBFL-PUAMRSTPSA-M
DB04032,,Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Butyl-Amide,experimental,,,,,,DBR,,,,,,,,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCNC(=O)C12CC3CC(CC(C3)C1)C2,"InChI=1S/C27H37N3O3S/c1-30(2)24-9-5-8-23-22(24)7-6-10-25(23)34(32,33)29-12-4-3-11-28-26(31)27-16-19-13-20(17-27)15-21(14-19)18-27/h5-10,19-21,29H,3-4,11-18H2,1-2H3,(H,28,31)/t19-,20+,21-,27-",RCSLIFYNVZXHOC-PHWDIDRRSA-N
DB04033,,Z-Ala Prolinal,experimental,,,,,,ZAH,,ZINC000001575977,,,,,5388928,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O,"InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1",RSSOZTMMMIWOJB-AAEUAGOBSA-N
DB04034,,Ribulose-5-Phosphate,experimental,,,,,,5SP,,ZINC000030320708,,,,16332,439190,OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1",FNZLKVNUWIIPSJ-RFZPGFLSSA-N
DB04035,,Ceftazidime BATSI,experimental,,,,,,CB4,,ZINC000169748484,CHEMBL1231661,50370963,,,5849540,CC(C)(O\N=C(/C(=O)NCB(O)O)C1=CSC(N)=N1)C(O)=O,"InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/b15-6-",ZECCQELUYUPTSB-UUASQNMZSA-N
DB04036,81918-99-2,Coenzyme A persulfide,experimental,,,,,,COS,,ZINC000085432299,,,,,174251,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSS)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1",REVPHPVBPSIEKM-IBOSZNHHSA-N
DB04037,,"N,N-Bis(4-Chlorobenzyl)-1h-1,2,3,4-Tetraazol-5-Amine",experimental,,,,,,CBT,,ZINC000006535578,CHEMBL186174,50154215,,,447980,ClC1=CC=C(CN(CC2=CC=C(Cl)C=C2)C2=NNN=N2)C=C1,"InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-22(15-18-20-21-19-15)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H,18,19,20,21)",UOUXILZUBDIWQU-UHFFFAOYSA-N
DB04038,57-87-4,Ergosterol,"['experimental', 'approved']",,,,,,ERG,,ZINC000004084618,CHEMBL1232562,50378884,,16933,444679,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1",DNVPQKQSNYMLRS-APGDWVJJSA-N
DB04039,,3-Oxo-Pentadecanoic Acid,experimental,,,,,,LIM,,ZINC000014881012,,,,,4476947,CCCCCCCCCCCCC(=O)CC(O)=O,"InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h2-13H2,1H3,(H,17,18)",CJTNJZWHYGHVCD-UHFFFAOYSA-N
DB04040,,"N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(α-D-galactopyranosyloxy)-5-nitrobenzamide",experimental,,,,,,1DM,,ZINC000058632978,,,,,5287447,[H]N(C(CN1CCOCC1)CN1CCOCC1)C(=O)C1=CC(=CC(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C1)[N+]([O-])=O,"InChI=1S/C24H36N4O11/c29-14-19-20(30)21(31)22(32)24(39-19)38-18-10-15(9-17(11-18)28(34)35)23(33)25-16(12-26-1-5-36-6-2-26)13-27-3-7-37-8-4-27/h9-11,16,19-22,24,29-32H,1-8,12-14H2,(H,25,33)/t19-,20+,21+,22-,24+/m1/s1",MCMWCTMAKPQTPI-WGNYYXNJSA-N
DB04041,,Nitrocefin Acyl-Serine,experimental,,,,,,NC1,,,,,,,131704267,[H]\C(=C(\[H])C1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C1=C(N[C@]([H])(SC1)[C@]([H])(N=C([O-])CC1=CC=CS1)C(=O)OC[C@]([H])(N)C([O-])=O)C(O)=O,"InChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1",GPHOELDACAWWAE-DEKCOHRESA-L
DB04042,,"2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol",experimental,,,,,,AHF,,ZINC000058626840,,,,,17753826,[H][C@](O)(OC)C1=CC=C(CN2[C@]([H])(COC3=CC=CC=C3)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(COC3=CC=CC=C3)N(CC3=CC=C(CO)C=C3)S2(=O)=O)C=C1,"InChI=1S/C35H40N2O9S/c1-44-35(41)28-18-16-26(17-19-28)21-37-32(24-46-30-10-6-3-7-11-30)34(40)33(39)31(23-45-29-8-4-2-5-9-29)36(47(37,42)43)20-25-12-14-27(22-38)15-13-25/h2-19,31-35,38-41H,20-24H2,1H3/t31-,32-,33+,34+,35+/m1/s1",XLJNZONSWKENRP-VABIIVNOSA-N
DB04043,,Carboxymycobactin T,experimental,,,,,,CM2,,,,,,,,OC(=O)CCCCCC\C=C/[C@@H]1O[Fe@]23ON1CCCC[C@@H](NC(=O)[C@@H]1CO[C@H](N1)C1=CC=CC=C1O2)C(=O)OCCC(=O)N[C@@H]1CCCCN(O3)C1=O,"InChI=1S/C35H50N5O12.Fe/c41-28-16-8-7-13-24(28)33-38-27(23-52-33)32(46)37-26(35(48)51-22-19-29(42)36-25-14-9-12-21-40(50)34(25)47)15-10-11-20-39(49)30(43)17-5-3-1-2-4-6-18-31(44)45;/h5,7-8,13,16-17,25-27,30,33,38,41H,1-4,6,9-12,14-15,18-23H2,(H,36,42)(H,37,46)(H,44,45);/q-3;+4/p-1/b17-5-;/t25-,26-,27+,30+,33+;/m1./s1",GJJULHJRORAZCG-QMDLAEJKSA-M
DB04044,,4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid,experimental,,,,,,194,,ZINC000012504111,CHEMBL326611,50149303,,,657140,OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=CC=C2)C=C1)C(O)=O,"InChI=1S/C21H14N2O8/c24-19(12-4-3-5-13(10-12)23(29)30)22-17-6-1-2-7-18(17)31-14-8-9-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)",NAQUAVBNIYTIIS-UHFFFAOYSA-N
DB04045,,(R)-methylmalonyl-CoA,experimental,,,,,,MCA,,ZINC000008551337,,,,15465,449534,C[C@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1",MZFOKIKEPGUZEN-AGCMQPJKSA-N
DB04046,,Methyl beta-galactoside,experimental,,,,,,MBG,,ZINC000004096161,CHEMBL442951,50243888,,17540,94214,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1",HOVAGTYPODGVJG-VOQCIKJUSA-N
DB04047,6863-06-5,6-hydroxymethylpterin diphosphate,experimental,,,,,,HH2,,ZINC000012504112,,,,,135440058,[H]N([H])C1=NC(=O)C2=NC(COP(O)(=O)OP(O)(O)=O)=CN=C2N1[H],"InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)",AMDUVUKDRBIVAH-UHFFFAOYSA-N
DB04048,,N-Carbamoyl-Alanine,experimental,,,,,,NCB,,ZINC000082071078,,,,,1535935,C[C@@H](NC(N)=O)C(O)=O,"InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1",LUSWEUMSEVLFEQ-UWTATZPHSA-N
DB04049,,Coelenteramide,experimental,,,,,,CEI,,ZINC000006580946,,,,41487,448487,OC1=CC=C(CC(=O)NC2=NC=C(N=C2CC2=CC=CC=C2)C2=CC=C(O)C=C2)C=C1,"InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)",CJIIERPDFZUYPI-UHFFFAOYSA-N
DB04050,,N-Propyl Isocyanide,experimental,,,,,,NPN,,,,,,,79084,CCC[N+]#[C-],"InChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3",FFDKYFGBIQQMSR-UHFFFAOYSA-N
DB04051,2270-20-4,5-phenylpentanoic acid,experimental,,,,,,5PV,,ZINC000001692494,CHEMBL443064,,,40131,16757,OC(=O)CCCCC1=CC=CC=C1,"InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)",BYHDDXPKOZIZRV-UHFFFAOYSA-N
DB04052,95-65-8,"3,4-Xylenol",experimental,,,,,,2MP,,ZINC000001576886,CHEMBL192008,238309,,39839,7249,CC1=CC=C(O)C=C1C,"InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",YCOXTKKNXUZSKD-UHFFFAOYSA-N
DB04053,15460-68-1,Hypophosphite,experimental,,,,,,PO2,,,,,,44951,183145,[O-]P=O,"InChI=1S/HO2P/c1-3-2/h(H,1,2)/p-1",GQZXNSPRSGFJLY-UHFFFAOYSA-M
DB04054,,"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine",experimental,,,,,,PU0,,ZINC000006380071,CHEMBL326651,15383,,,448974,CCCCN1C(CC2=C(OC)C=CC(OC)=C2)=NC2=C(N)N=C(F)N=C12,"InChI=1S/C18H22FN5O2/c1-4-5-8-24-14(21-15-16(20)22-18(19)23-17(15)24)10-11-9-12(25-2)6-7-13(11)26-3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,20,22,23)",PASRTKOWXJDFFV-UHFFFAOYSA-N
DB04055,,"2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium",experimental,,,,,,BIN,,ZINC000003870716,,,,,1478,CC[N+]1=C(C)C(C(=O)OC(C)C)=C(C2=CC=CC=C2Cl)C(C(O)=O)=C1C(O)=O,"InChI=1S/C20H20ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10H,5H2,1-4H3,(H-,23,24,25,26)/p+1",HMSIYRVIPQHZBI-UHFFFAOYSA-O
DB04057,,"N-[4-([(2-Amino-4-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]-2-propenoyl}amino)benzoyl]-L-glutamic acid",experimental,,,,,,MS1,,ZINC000098209190,,,,,135451908,[H]N([H])C(=O)C1=C(\C=C\C(=O)N(CC2=NC3=C(C=C2)N([H])C(=NC3=O)N([H])[H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C32H34N9O15P/c33-27(47)24-19(41(13-35-24)30-26(46)25(45)20(56-30)12-55-57(52,53)54)8-9-21(42)40(11-15-3-6-17-23(36-15)29(49)39-32(34)38-17)16-4-1-14(2-5-16)28(48)37-18(31(50)51)7-10-22(43)44/h1-6,8-9,13,18,20,25-26,30,45-46H,7,10-12H2,(H2,33,47)(H,37,48)(H,43,44)(H,50,51)(H2,52,53,54)(H3,34,38,39,49)/b9-8+/t18-,20+,25+,26+,30+/m0/s1",XRZABKCMPVBQFX-UGTLBTQMSA-N
DB04058,949-45-1,N-Carbamoylphenylalanine,experimental,,,,,,ING,,ZINC000003581319,,,,,446054,NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1",IPWQOZCSQLTKOI-QMMMGPOBSA-N
DB04059,,8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide,experimental,,,,,,UI2,,ZINC000005933825,CHEMBL103043,50147086,,46311,448610,NC(=N)C1=CC2=C(C=CC=C2NC2=NC=CC=N2)C=C1,"InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)",GRQLDCHTDNYVQI-UHFFFAOYSA-N
DB04060,,"(5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate",experimental,,,,,,MTR,,ZINC000012504117,,,,,17754095,CC1=CC(=CNC1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9+,10+/m0/s1",MUWYCJQCZPFLFI-IVZWLZJFSA-N
DB04061,,Alpha-Amino-2-Indanacetic Acid,experimental,,,,,,IGL,,ZINC000006117201,CHEMBL434785,50220455,,,12192007,[H][C@@](N)(C1CC2=CC=CC=C2C1)C(O)=O,"InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1",GUDHMDVRURNAHL-SNVBAGLBSA-N
DB04062,28161-52-6,beta-D-fucose,experimental,,,,,,FCB,,ZINC000001532816,,,,27442,439650,C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1",SHZGCJCMOBCMKK-FPRJBGLDSA-N
DB04063,105743-53-1,alpha-Methylleucine,experimental,,,,,,2ML,,ZINC000000403039,,,,,6951130,CC(C)C[C@](C)(N)C(O)=O,"InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1",ARSWQPLPYROOBG-ZETCQYMHSA-N
DB04064,,Nogalaviketone,experimental,,,,,,NGV,,ZINC000012504118,,,,,5289026,COC(=O)C1=C(C)CC(=O)C2=C(O)C3=C(C=C12)C(=O)C1=CC=CC(O)=C1C3=O,"InChI=1S/C21H14O7/c1-8-6-13(23)16-10(14(8)21(27)28-2)7-11-17(20(16)26)19(25)15-9(18(11)24)4-3-5-12(15)22/h3-5,7,22,26H,6H2,1-2H3",QHNJNOBWURJIEK-UHFFFAOYSA-N
DB04065,,N-Cyclopentyl-N-Cyclobutylformamide,experimental,,,,,,CCB,,,CHEMBL45844,50064286,,191227,5287890,O=CN(C1CCC1)C1CCCC1,"InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2",DWGVYBRKKSJLNS-UHFFFAOYSA-N
DB04066,501-98-4,p-Coumaric acid,experimental,,,,1485787,,HC4,,ZINC000000039811,CHEMBL66879,4374,,32374,637542,OC(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",NGSWKAQJJWESNS-ZZXKWVIFSA-N
DB04067,,4-hydroxybenzyl coenzyme A,experimental,,,,,,4CA,,ZINC000195757461,,,,,446969,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC4=CC=C(O)C=C4)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C28H42N7O17P3S/c1-28(2,23(39)26(40)31-8-7-19(37)30-9-10-56-12-16-3-5-17(36)6-4-16)13-49-55(46,47)52-54(44,45)48-11-18-22(51-53(41,42)43)21(38)27(50-18)35-15-34-20-24(29)32-14-33-25(20)35/h3-6,14-15,18,21-23,27,36,38-39H,7-13H2,1-2H3,(H,30,37)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t18-,21-,22-,23+,27-/m1/s1",FZQUTWRNQJPTSH-SXQYHYLKSA-N
DB04068,,"2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate",experimental,,,,,,FUP,,ZINC000012504122,,,,,444503,[H]N1C(=O)C=CN([C@H]2C[C@]([H])(F)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C1=O,"InChI=1S/C9H13FN2O10P2/c10-5-3-8(12-2-1-7(13)11-9(12)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,11,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",WLQBZMZTRNPUDL-SHYZEUOFSA-N
DB04069,,"5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine",experimental,,,,,,86Q,,,,,,,5288116,NC1=NN=C2C(CCC3=CC=CC=C23)=C1,"InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14)",QKVREUJWFZJEJK-UHFFFAOYSA-N
DB04070,,6-Deoxyerythronolide B,experimental,,,,,,DEB,,ZINC000004096057,,,,16089,121904,[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C1=O,"InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1",HQZOLNNEQAKEHT-IBBGRPSASA-N
DB04071,,Cpad,experimental,,,,,,PAD,,ZINC000049771447,CHEMBL1235132,50368955,,172790,5289104,NC(=O)C1=NC(=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1",LFERELMXERXKKQ-KMXXXSRASA-N
DB04072,,Alpha-Methylisocitric Acid,experimental,,,,,,MIC,,ZINC000000902108,,,,15607,5459784,C[C@@](O)([C@H](CC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1",HHKPKXCSHMJWCF-WVBDSBKLSA-N
DB04073,,N-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide,experimental,,,,,,15B,,ZINC000058631849,,,,,447976,[H]N([H])CCCN1CCN(CCCN([H])C(=O)C2=CC(=CC(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)[N+]([O-])=O)CC1,"InChI=1S/C23H37N5O9/c24-3-1-5-26-7-9-27(10-8-26)6-2-4-25-22(33)15-11-16(28(34)35)13-17(12-15)36-23-21(32)20(31)19(30)18(14-29)37-23/h11-13,18-21,23,29-32H,1-10,14,24H2,(H,25,33)/t18-,19+,20+,21-,23-/m1/s1",UEIGEWJJVQHIAX-DLBZZEGUSA-N
DB04074,759-05-7,alpha-Ketoisovalerate,experimental,,,,,,KIV,,ZINC000001532553,CHEMBL146554,50390989,,16530,49,CC(C)C(=O)C(O)=O,"InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)",QHKABHOOEWYVLI-UHFFFAOYSA-N
DB04075,1188-37-0,N-Acetyl-L-Glutamate,experimental,,,,,,NLG,,ZINC000001532704,CHEMBL1234751,50151383,,17533,70914,CC(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1",RFMMMVDNIPUKGG-YFKPBYRVSA-N
DB04076,68-94-0,Hypoxanthine,experimental,,,,,,HPA,,ZINC000018153302,CHEMBL1427,,,17368,135398638,O=C1N=CNC2=C1NC=N2,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT-UHFFFAOYSA-N
DB04079,,"Heptane-1,2,3-Triol",experimental,,,,,,HTO,,ZINC000002043148,,,,43208,444397,[H][C@@](O)(CO)[C@]([H])(O)CCCC,"InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7-/m1/s1",HXYCHJFUBNTKQR-RNFRBKRXSA-N
DB04080,,RU78191,experimental,,,,,,791,,ZINC000008465797,CHEMBL78794,14676,,,75791,OC(=O)C(C(O)=O)C1=CC=CC=C1,"InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)",WWYDYZMNFQIYPT-UHFFFAOYSA-N
DB04081,,"(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide",experimental,,,,,,MTS,,ZINC000003870400,CHEMBL273822,50041041,,,5288859,[H][C@]1(C)C[C@]([H])(NC)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,"InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7-/m0/s1",PYXFWOIZPYXNRU-FSPLSTOPSA-N
DB04082,,Decyloxy-Methanol,experimental,,,,,,DEM,,ZINC000014881035,,,,,4629337,CCCCCCCCCCOCO,"InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h12H,2-11H2,1H3",CDMVCFBAVCCGIE-UHFFFAOYSA-N
DB04083,2440-59-7,N(6)-(pyridoxal phosphate)-L-lysine,experimental,,,,,,LLP,,ZINC000034150380,,,,134066,,CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O,"InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1",YQSOQJORMNSDJL-QFULYMJESA-N
DB04084,62182-14-3,2-deoxy-2-fluoro-α-D-mannose,experimental,,,,,,MBF,,ZINC000004255901,,,,49148,2758978,OC[C@H]1O[C@H](O)[C@@H](F)[C@@H](O)[C@@H]1O,"InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6+/m1/s1",ZCXUVYAZINUVJD-RXRWUWDJSA-N
DB04085,15209-14-0,Bis(N-maleimidomethyl)ether,experimental,,,,,,OPP,,ZINC000002384689,,,,,84836,O=C1C=CC(=O)N1COCN1C(=O)C=CC1=O,"InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2",UTRLJOWPWILGSB-UHFFFAOYSA-N
DB04086,,"2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside",experimental,,,,,,DCB,,ZINC000024985847,,,,,445981,[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OC3=C(C=C(C=C3)N(=O)=O)N(=O)=O)[C@]([H])(F)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1",WFVCNOHOODVBQK-IUBYCILNSA-N
DB04087,,Open Form of 2'-Deoxy-Ribofuranose-5'-Phosphate,experimental,,,,,,HPD,,,,,,,5288577,[H][C@](O)(CCO)[C@]([H])(O)COP(O)(O)=O,"InChI=1S/C5H13O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+/m0/s1",YCHBTVQJICBXEI-CRCLSJGQSA-N
DB04088,,2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid,experimental,,,,,,418,,ZINC000027090034,CHEMBL325029,50131545,,,10305301,[H]N(CCCCOC1=CC=CC(O)=C1C(=O)OC)C(=O)[C@H](CC1=CC=C(C=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O)N([H])C(=O)OCC=C,"InChI=1S/C34H35N3O12/c1-3-18-49-34(46)36-24(29(39)35-17-6-7-19-48-27-12-8-11-26(38)28(27)33(45)47-2)20-21-13-15-22(16-14-21)37(30(40)32(43)44)25-10-5-4-9-23(25)31(41)42/h3-5,8-16,24,38H,1,6-7,17-20H2,2H3,(H,35,39)(H,36,46)(H,41,42)(H,43,44)/t24-/m0/s1",JTJBRKLISQICDU-DEOSSOPVSA-N
DB04089,,AL5300,experimental,,,,,,AL3,,ZINC000003870875,,,,,4369103,[H][C@]1(O)CN(CC2=CC=CS2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,"InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)/t9-/m0/s1",HHPUQNGRNUOYCD-VIFPVBQESA-N
DB04090,221635-42-3,RH-1,"['experimental', 'investigational']",15746574,,,,,RH1,,,CHEMBL1235676,,,,394347,CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O,"InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3",JKDLOGLNPDVUCX-UHFFFAOYSA-N
DB04092,160470-73-5,Apstatin,experimental,,,,,,,,,CHEMBL311875,50078401,,,447280,C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(N)=O,"InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1",YVUUZAPYLPWFHE-HXFGRODQSA-N
DB04093,112-44-7,Undecanal,experimental,,,,,,UNA,,ZINC000001595727,CHEMBL1236576,,,46202,8186,[H]C(=O)CCCCCCCCCC,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3",KMPQYAYAQWNLME-UHFFFAOYSA-N
DB04094,590-90-9,4-hydroxybutan-2-one,experimental,,,,,,BUQ,,ZINC000001672523,,,,41268,111509,CC(=O)CCO,"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3",LVSQXDHWDCMMRJ-UHFFFAOYSA-N
DB04095,,9-Deazahypoxanthine,experimental,,,,,,9HX,,ZINC000012504135,CHEMBL1230671,,,,135488881,O=C1NC=NC2=C1NC=C2,"InChI=1S/C6H5N3O/c10-6-5-4(1-2-7-5)8-3-9-6/h1-3,7H,(H,8,9,10)",UWMXUDUWVFWJPX-UHFFFAOYSA-N
DB04096,,"(2R,3R,4R,5R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-oxo-3-piperidinyl beta-D-glucopyranoside",experimental,,,,,,ABL,,ZINC000015787448,,,,,447325,[H]N1[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)C1=O,"InChI=1S/C12H21NO10/c14-1-3-10(7(18)8(19)11(21)13-3)23-12-9(20)6(17)5(16)4(2-15)22-12/h3-10,12,14-20H,1-2H2,(H,13,21)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1",WXSNJJDPPISYEF-ZNLUKOTNSA-N
DB04097,,Uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-D-galactose,experimental,,,,,,UFG,,ZINC000016051558,CHEMBL593125,50304034,,,448872,[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@]([H])(F)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C1=O,"InChI=1S/C15H23FN2O16P2/c16-8-5(3-19)32-14(12(24)10(8)22)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1",OAPPZHVTNHJVAL-JZMIEXBBSA-N
DB04098,,Balanol,experimental,,,,,,BA1,,,CHEMBL307747,50285232,,,44308490,OC(=O)C1=CC=CC(O)=C1C(=O)C1=C(O)C=C(C=C1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)C1=CC=C(O)C=C1,"InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22+/m0/s1",XYUFCXJZFZPEJD-PGRDOPGGSA-N
DB04099,,Deamido-Nad+,experimental,,,,,,DND,,ZINC000008216447,,,,18304,165491,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1",SENPVEZBRZQVST-HISDBWNOSA-O
DB04100,,"Tricarbonyl(1,10-phenanthroline)rhenium(1+)",experimental,,,,,,REP,,,,,,49851,,[O]#C[Re+]1(C#[O])(C#[O])[N]2=CC=CC3=C2C2=C(C=CC=[N]12)C=C3,InChI=1S/C12H8N2.3CO.Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-2;/h1-8H;;;;/q;;;;+1,XCPVAMYUZCTTHM-UHFFFAOYSA-N
DB04101,,"N'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide",experimental,,,,,,CK3,,ZINC000017860071,CHEMBL1231801,,,,9547884,CC1=NC(C)=C(S1)C1=NC(\N=C\NO)=NC=C1,"InChI=1S/C10H11N5OS/c1-6-9(17-7(2)14-6)8-3-4-11-10(15-8)12-5-13-16/h3-5,16H,1-2H3,(H,11,12,13,15)",OVKZTPFHUYGZBI-UHFFFAOYSA-N
DB04102,,2-Amino-Adenosine,experimental,,,,,,2AD,,ZINC000053204366,CHEMBL133809,50106536,,,447594,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(N)[C@]1([H])O,"InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1",CQKMBZHLOYVGHW-QYYRPYCUSA-N
DB04103,,3-Methylcytosine,experimental,,,,,,3MC,,ZINC000100033918,,,,,4469987,C[N+]1=C(N)C=CNC1=O,"InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H2,6,7,9)/p+1",UPHQQDZIRIHPHU-UHFFFAOYSA-O
DB04104,5142-23-4,3-Methyladenine,experimental,,,,,,ADK,,ZINC000100003619,CHEMBL292268,50488841,,38635,,CN1C=NC(N)=C2N=CN=C12,"InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3",FSASIHFSFGAIJM-UHFFFAOYSA-N
DB04105,,N-Heptylformamide,experimental,,,,,,HPL,,ZINC000001598919,CHEMBL43719,50064266,,,347402,CCCCCCCNC=O,"InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)",YAUHDTOEJHVKJO-UHFFFAOYSA-N
DB04106,92118-27-9,Fotemustine,investigational,,L01AD05,,,,,1249,ZINC000005859934,,,,131854,46936889,CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O,"InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1",YAKWPXVTIGTRJH-QMMMGPOBSA-N
DB04107,,[(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester,experimental,,,,,,T87,,ZINC000006409740,,17295,,,9600423,CCOC(=O)CO\N=C(\C1=CC=CC=N1)C1(CC1)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C(N)=N)=NC2=C1,"InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-",RNOYCNIZOAIUSV-LSWMGQQCSA-N
DB04108,,"(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide",experimental,,,,,,AO1,,ZINC000012504146,,,,,5287684,[H][C@](N)(CCSCC)[C@]([H])(O)C(=O)N[C@@]([H])(C)C1=C2C=CC=CC2=CC=C1,"InChI=1S/C19H26N2O2S/c1-3-24-12-11-17(20)18(22)19(23)21-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,17-18,22H,3,11-12,20H2,1-2H3,(H,21,23)/t13-,17-,18-/m0/s1",AIIOXZPEXXZCML-KKXDTOCCSA-N
DB04109,,"[4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine",experimental,,,,,,SBZ,,,,,,,5289339,NC(=[NH2+])C1=CC=C(COB2OCCO2)C=C1,"InChI=1S/C10H13BN2O3/c12-10(13)9-3-1-8(2-4-9)7-16-11-14-5-6-15-11/h1-4H,5-7H2,(H3,12,13)/p+1",XCLFQXCQQHVLJQ-UHFFFAOYSA-O
DB04110,119-33-5,2-Nitro-4-cresol,experimental,,,,,,NCR,,ZINC000020230664,CHEMBL1234658,,,,8391,CC1=CC=C(O)C(=C1)[N+]([O-])=O,"InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3",SYDNSSSQVSOXTN-UHFFFAOYSA-N
DB04111,140932-79-2,Balhimycin,experimental,,,,,,,,,,,,,16131414,CNC(CC(C)C)C(=O)NC1C(O)C2=CC=C(OC3=C(OC4OC(CO)C(O)C(O)C4O)C4=CC(=C3)C(NC(=O)C(CC(N)=O)NC1=O)C(=O)NC1C3=CC=C(O)C(=C3)C3=C(C=C(O)C=C3O)C(NC(=O)C(NC1=O)C(OC1CC(C)(N)C(=O)C(C)O1)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2,"InChI=1S/C66H73Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,65,71,78-81,83-86H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)",WKNFBFHAYANQHF-UHFFFAOYSA-N
DB04112,,(2R)-2-Acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen phosphate,experimental,,,,,,INB,,ZINC000014881051,,,,,5288635,[H]N([C@H](COCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCSC)C(C)=O,"InChI=1S/C26H54NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-23-26(27-25(2)28)24-33-34(29,30)32-21-22-35-3/h26H,4-24H2,1-3H3,(H,27,28)(H,29,30)/t26-/m1/s1",ZULTVWFLRZJENJ-AREMUKBSSA-N
DB04113,2591-86-8,N-Formylpiperidine,experimental,,,,,,FPI,,ZINC000000388699,CHEMBL1232817,,,193610,17429,[H]C(=O)N1CCCCC1,"InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2",FEWLNYSYJNLUOO-UHFFFAOYSA-N
DB04114,,"3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine",experimental,,,,,,HUX,,ZINC000001663056,CHEMBL483716,,,,5288588,[H][C@]12CC3=C(C(N)=C4C=CC(Cl)=CC4=N3)[C@]([H])(CC(CC)=C1)C2,"InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11-,12+/m0/s1",QTPHSDHUHXUYFE-NWDGAFQWSA-N
DB04115,2086-83-1,Berberine,"['approved', 'investigational']",,,D00092,1437,PA165860812,BER,,ZINC000003779067,CHEMBL295124,50203126,BERBERINE SULFATE,16118,2353,COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE-UHFFFAOYSA-N
DB04116,645-03-4,Allolactose,experimental,,,,,,,,,CHEMBL4876675,,,36229,6454902,OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12-/m1/s1",DLRVVLDZNNYCBX-VDGMBKLFSA-N
DB04117,,"4-(N,N-Dimethylamino)cinnamoyl-CoA",experimental,,,,,,DAK,,ZINC000195757170,,,,,445461,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)\C=C\C4=CC=C(C=C4)N(C)C)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C32H47N8O17P3S/c1-32(2,27(44)30(45)35-12-11-22(41)34-13-14-61-23(42)10-7-19-5-8-20(9-6-19)39(3)4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)40-18-38-24-28(33)36-17-37-29(24)40/h5-10,17-18,21,25-27,31,43-44H,11-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b10-7+/t21-,25-,26-,27+,31-/m1/s1",WWUPGKDRUIPTRA-XITLLWRLSA-N
DB04118,,N-Coeleneterazine,experimental,,,,,,CZN,,ZINC000103537782,,,,,49866868,[H][C@@]1(CC2=CC=CC=C2)NC(=CN2C(=O)[C@](CC3=CC4=CC=CC=C4C=C3)(OO)N=C12)C1=CC=C(O)C=C1,"InChI=1S/C30H25N3O4/c34-25-14-12-23(13-15-25)27-19-33-28(26(31-27)17-20-6-2-1-3-7-20)32-30(37-36,29(33)35)18-21-10-11-22-8-4-5-9-24(22)16-21/h1-16,19,26,31,34,36H,17-18H2/t26-,30-/m0/s1",OMOBIXPIGAIKCC-YZNIXAGQSA-N
DB04119,,Hexatantalum Dodecabromide,experimental,,,,,,TBR,,,,,,,,Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+],InChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1,YWYIQTPPCOBSGN-UHFFFAOYSA-M
DB04120,452-86-8,"4-Methyl-1,2-Benzenediol",experimental,,,,,,MCT,,ZINC000013512210,CHEMBL158766,,,17254,9958,CC1=CC=C(O)C(O)=C1,"InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3",ZBCATMYQYDCTIZ-UHFFFAOYSA-N
DB04121,,Guanosine-3'-monophosphate-5'-diphosphate,experimental,,,,,,G3D,,ZINC000016051736,,,,,135415794,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(28-30(18,19)20)3(27-9)1-26-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1",HEYSFDAMRDTCJM-UUOKFMHZSA-N
DB04122,15209-12-8,beta-D-glucose 6-phosphate,experimental,,,,,,BG6,,ZINC000003875374,CHEMBL257975,50373066,,17719,439427,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1",NBSCHQHZLSJFNQ-VFUOTHLCSA-N
DB04123,,(P-Iodophenylacetylamino)Methylphosphinic Acid,experimental,,,,,,IPP,,ZINC000003870423,,,,,1290,[H][P@](O)(=O)CNC(=O)CC1=CC=C(I)C=C1,"InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14)",NJMHQBSYSLWOQF-UHFFFAOYSA-N
DB04124,12704-90-4,Aurodox,experimental,,,,,,MAU,,,CHEMBL3221419,,,,135509117,[H][C@@]1(O[C@@]([H])([C@H](C)[C@H](OC)C(\C)=C\C=C\CNC(=O)[C@@H](CC)[C@@]2(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O)\C=C\C=C\C=C(/C)C(=O)C1=C(O)C=CN(C)C1=O,"InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1",NTAHMPNXQOYXSX-WKSONYIQSA-N
DB04125,,N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine,experimental,,,,,,FD4,,ZINC000012504152,CHEMBL104815,50060038,,,178051,CC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1,"InChI=1S/C26H29N5O4S/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m0/s1",ZUWBXGHMVKDMQO-DEOSSOPVSA-N
DB04126,,N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane,experimental,,,,,,E6C,,ZINC000003874327,,,,,5288147,[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C,"InChI=1S/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12-/m0/s1",KBIWEWPGBHKYML-RYUDHWBXSA-N
DB04127,,beta-D-arabinofuranose 5-phosphate,experimental,,,,,,ABF,,ZINC000004521831,CHEMBL1230787,,,40438,447568,[H][C@@]1(O)O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m1/s1",KTVPXOYAKDPRHY-SQOUGZDYSA-N
DB04128,,"5-Nitroso-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione",experimental,,,,,,LMZ,,ZINC000003871157,,,,,6323394,[H]N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=C(N=O)C(=O)N([H])C(=O)N1[H],"InChI=1S/C9H14N4O7/c14-2-4(16)6(17)3(15)1-10-7-5(13-20)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1",YMWIHKCBRFEJMH-RPDRRWSUSA-N
DB04129,21416-43-3,Willardiine,experimental,,,,,,HWD,,,,,,,161358,NOC(=O)CCN1C=CC(=O)NC1=O,"InChI=1S/C7H9N3O4/c8-14-6(12)2-4-10-3-1-5(11)9-7(10)13/h1,3H,2,4,8H2,(H,9,11,13)",KCGPSMHZJWSWPT-UHFFFAOYSA-N
DB04130,,5-Methoxybenzimidazole,experimental,,,,,,5OB,,ZINC000005424660,CHEMBL449325,50270673,,,78598,COC1=CC2=C(C=C1)N=CN2,"InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)",ILMHAGCURJPNRZ-UHFFFAOYSA-N
DB04131,,"10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione",experimental,,,,,,AKT,,ZINC000058661310,,,,,5287662,[H][C@@]1(C[C@]([H])(N(C)C)[C@]([H])(O)[C@]([H])(C)O1)O[C@@]1([H])C[C@](O)(CC)CC2=CC3=C(C(O)=C12)C(=O)C1=C(C=CC=C1O)C3=O,"InChI=1S/C28H33NO8/c1-5-28(35)11-14-9-16-23(27(34)22-15(25(16)32)7-6-8-18(22)30)26(33)21(14)19(12-28)37-20-10-17(29(3)4)24(31)13(2)36-20/h6-9,13,17,19-20,24,30-31,33,35H,5,10-12H2,1-4H3/t13-,17-,19-,20-,24+,28-/m0/s1",BLGDWFJQIHBUJY-NWJGULHDSA-N
DB04132,24425-56-7,S-Hexylglutathione,experimental,,,,,,LEE,,ZINC000003874923,CHEMBL345292,50095998,,27704,97536,CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1",HXJDWCWJDCOHDG-RYUDHWBXSA-N
DB04133,,Degraded Cephaloridine,experimental,,,,,,CED,,ZINC000100033959,,,,,5287902,[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(C)CS1,"InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1",SFVACKBZMIZHCK-ZWNOBZJWSA-N
DB04135,,"(4S)-5-Fluoro-4-hydroxy-3,4-dihydro-2(1H)-pyrimidinone",experimental,,,,,,FPY,,ZINC000005834564,,,,,448302,[H]N1C=C(F)[C@H](O)N([H])C1=O,"InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1",PRVUBDAKZJCBTI-VKHMYHEASA-N
DB04136,,Lysophosphotidylserine,experimental,,,,,,LPS,,ZINC000038377594,,,,,17754066,[H][C@@](O)(CO[C@@]([H])(O)CCCCCCCCCCCCCC)COP(O)(=O)OC[C@]([H])(N)C(O)=O,"InChI=1S/C21H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)29-15-18(23)16-30-32(27,28)31-17-19(22)21(25)26/h18-20,23-24H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19+,20-/m1/s1",RPZLJDFLPRHXGM-HSALFYBXSA-N
DB04137,86-01-1,Guanosine-5'-Triphosphate,experimental,,,,,,GTP,,ZINC000060094177,CHEMBL1233147,,,15996,135398633,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",XKMLYUALXHKNFT-UUOKFMHZSA-N
DB04138,,"5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide",experimental,,,,,,BEL,,ZINC000053684326,,,,,5287756,[H]N(CC(=O)C=O)C(=O)C1=CC(N(CCBr)CCBr)=C(C=C1[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C14H14Br2N4O7/c15-1-3-18(4-2-16)12-5-10(14(23)17-7-9(22)8-21)11(19(24)25)6-13(12)20(26)27/h5-6,8H,1-4,7H2,(H,17,23)",LECLJMCDJUEAKI-UHFFFAOYSA-N
DB04139,,6-Hydroxypropylthymine,experimental,,,,,,HPT,,,,,,43299,1865,CC1=C(CCCO)NC(=O)NC1=O,"InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)",OIEJBPVNLZZLGQ-UHFFFAOYSA-N
DB04140,,1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide,experimental,,,,,,BBH,,ZINC000003821510,CHEMBL7390,50098918,,,445018,[H][C@@]1(CC(=O)N(CC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,"InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1",SUSMVCKSLVPRCL-QGZVFWFLSA-N
DB04141,,"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol",experimental,,,,,,BHG,,ZINC000005973056,,,,,447027,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O,"InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1",JVAZJLFFSJARQM-YBXAARCKSA-N
DB04142,,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide",experimental,,,,,,BB3,,ZINC000014881085,,,,,448660,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)N(C)C,"InChI=1S/C19H17Br2NO5S/c1-4-15-17(18(23)10-7-13(20)19(24)14(21)8-10)12-6-5-11(9-16(12)27-15)28(25,26)22(2)3/h5-9,24H,4H2,1-3H3",FEYGJZKVMASWJB-UHFFFAOYSA-N
DB04143,,Indole-3-Glycerol Phosphate,experimental,,,,,,IGP,,,,,,51793,444150,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)C1=CNC2=C1C=CC=C2,"InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1",NQEQTYPJSIEPHW-MNOVXSKESA-N
DB04144,,"Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone",experimental,,,,,,IMY,,ZINC000014881086,,,,,49867154,[H][C@]1(N=C(N(C(=O)N2CCNCC2)[C@]1([H])C1=CC=C(Cl)C=C1)C1=C(OC(C)C)C=C(OC)C=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C30H32Cl2N4O3/c1-19(2)39-26-18-24(38-3)12-13-25(26)29-34-27(20-4-8-22(31)9-5-20)28(21-6-10-23(32)11-7-21)36(29)30(37)35-16-14-33-15-17-35/h4-13,18-19,27-28,33H,14-17H2,1-3H3/t27-,28+/m0/s1",ZXIPEZDMQNYFOO-WUFINQPMSA-N
DB04145,100-55-0,Nicotinyl alcohol,experimental,,"['C04AC02', 'C10AD05']",,7414,,PYF,1921,ZINC000000001799,CHEMBL1235535,92860,,45213,7510,OCC1=CC=CN=C1,"InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",MVQVNTPHUGQQHK-UHFFFAOYSA-N
DB04146,,I-Coeleneterazine,experimental,,,,,,CZI,,ZINC000103537754,,,,,49866867,[H][C@]1(CC2=CC=CC=C2)NC(=CN2C(=O)[C@](CC3=CC=C(I)C=C3)(OO)N=C12)C1=CC=C(O)C=C1,"InChI=1S/C26H22IN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26+/m1/s1",VKJBKKSOPAEBAT-GJZUVCINSA-N
DB04147,1643-20-5,Dodecyldimethylamine N-oxide,experimental,,,,,,LDA,,ZINC000002039372,CHEMBL1233973,50327308,,131762,15433,CCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3",SYELZBGXAIXKHU-UHFFFAOYSA-N
DB04149,85416-75-7,(R)-Rolipram,experimental,,,,,PA153906323,ROL,,ZINC000000004982,CHEMBL430893,50042058,,40133,448055,[H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1,"InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1",HJORMJIFDVBMOB-LBPRGKRZSA-N
DB04150,,"N-alpha-Acetyl-3,5-diiodotyrosyl-D-threonine",experimental,,,,,,IYT,,ZINC000038377676,,,,,5288651,[H]N([C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)N([H])[C@H]([C@@H](C)O)C(O)=O)C(C)=O,"InChI=1S/C15H18I2N2O6/c1-6(20)12(15(24)25)19-14(23)11(18-7(2)21)5-8-3-9(16)13(22)10(17)4-8/h3-4,6,11-12,20,22H,5H2,1-2H3,(H,18,21)(H,19,23)(H,24,25)/t6-,11+,12-/m1/s1",TWMKRGDZEJLDDH-LKXWSVAYSA-N
DB04151,332-80-9,1-Methylhistidine,experimental,,,,,,HIC,,ZINC000002563973,CHEMBL1233327,50463197,,192560,92105,CN1C=NC(C[C@H](N)C(O)=O)=C1,"InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1",BRMWTNUJHUMWMS-LURJTMIESA-N
DB04152,,"2-Amino-3-(3-Hydroxy-7,8-Dihydro-6h-Cyclohepta[D]-4-Isoxazolyl)Propionic Acid",experimental,,,,,,IBC,,ZINC000013494065,CHEMBL28472,50126764,,,5288598,N[C@@H](CC1=CCCCC2=C1C(=O)NO2)C(O)=O,"InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1",HJEPOXZLPHUVFE-ZETCQYMHSA-N
DB04153,,S-Hydroxymethyl Glutathione,experimental,,,,,,AHE,,ZINC000003870218,,,,48926,447123,N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1",PIUSLWSYOYFRFR-BQBZGAKWSA-N
DB04154,,"N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide",experimental,,,,,,CL3,,ZINC000012504169,CHEMBL369180,50162321,,,5287936,CN(C(C)=O)C1=CC=CC(=C1)C1=NN=C2C=CC(=NN12)C1=CC=CC=C1,"InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3",ALBWBHNFOJJMCV-UHFFFAOYSA-N
DB04155,,2-Fluoro-2-Deoxy-Beta-D-Galactopyranosyl-Beta-D-Glucopyranose,experimental,,,,,,,,ZINC000005829871,,,,,446584,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])F)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C12H21FO10/c13-5-7(17)6(16)3(1-14)22-12(5)23-10-4(2-15)21-11(20)9(19)8(10)18/h3-12,14-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1",KWMZPXRIEZDXAQ-QRZGKKJRSA-N
DB04156,,Aspartate beryllium trifluoride,experimental,,,,,,BFD,,,,,,,,N[C@@H](CC(=O)O[Be--](F)(F)F)C(O)=O,"InChI=1S/C4H7NO4.Be.3FH/c5-2(4(8)9)1-3(6)7;;;;/h2H,1,5H2,(H,6,7)(H,8,9);;3*1H/q;+2;;;/p-4/t2-;;;;/m0..../s1",AHUXVQYBCVIJSZ-AIDJSRAFSA-J
DB04157,,N-[(Aminooxy)Carbonyl]Aniline,experimental,,,,,,PHJ,,,,,,,448926,NOC(=O)NC1=CC=CC=C1,"InChI=1S/C7H8N2O2/c8-11-7(10)9-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)",YQHOHPOCZUAUKP-UHFFFAOYSA-N
DB04158,,"6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin",experimental,,,,,,A4P,,ZINC000098208626,,,,,135509074,[H]N([H])C1=NC(=O)C2=C(N([H])CC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N=CN=C34)N([H])[H])=N2)N1[H],"InChI=1S/C17H24N10O17P4/c18-12-8-14(22-4-21-12)27(5-23-8)16-11(29)10(28)7(41-16)3-40-46(33,34)43-48(37,38)44-47(35,36)42-45(31,32)39-2-6-1-20-13-9(24-6)15(30)26-17(19)25-13/h4-5,7,10-11,16,28-29H,1-3H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H2,18,21,22)(H4,19,20,25,26,30)/t7-,10-,11-,16-/m1/s1",ZKRKFZJAQKKHKL-SUGPNEFASA-N
DB04159,,Beta-Hydroxytryptophane,experimental,,,,,,HTR,,ZINC000008381928,,,,,6857734,[H][C@@](N)(C(O)=O)[C@@]([H])(O)C1=CNC2=CC=CC=C12,"InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10-/m0/s1",ITFHGBKXKUVKBW-UWVGGRQHSA-N
DB04160,2466-09-3,Pyrophosphoric acid,"['experimental', 'approved']",,,,1546425,,PPV,,ZINC000006827695,CHEMBL1160571,50147591,TETRASODIUM PYROPHOSPHATE,29888,21961011,OP(O)(=O)OP(O)(O)=O,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)",XPPKVPWEQAFLFU-UHFFFAOYSA-N
DB04161,79-05-0,Propionamide,experimental,,,,1366667,,ROP,,ZINC000001670847,CHEMBL1235716,,,45422,6578,CCC(N)=O,"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)",QLNJFJADRCOGBJ-UHFFFAOYSA-N
DB04162,,"5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione",experimental,,,,,,INI,,,,,,,446835,[H]N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=C(C(=O)N([H])C(=O)N1[H])[N+]([O-])=O,"InChI=1S/C9H14N4O8/c14-2-4(16)6(17)3(15)1-10-7-5(13(20)21)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1",KSKGHNZSCSCHEQ-RPDRRWSUSA-N
DB04163,,"5-Phenylsulfanyl-2,4-Quinazolinediamine",experimental,,,,,,TQ3,,ZINC000005974663,CHEMBL100239,18045,,,446244,NC1=NC2=C(C(N)=N1)C(SC1=CC=CC=C1)=CC=C2,"InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)",BUFDQCGCADQQQY-UHFFFAOYSA-N
DB04164,,"1,4-Deoxy-4-((5-Hydroxymethyl-2,3,4-Trihydroxycyclohex-5-Enyl)Amino)Fructose",experimental,,,,,,DAF,,ZINC000098208787,,,,,129856752,[H][C@]1(O)OC(=C)[C@@]([H])(N[C@@]2([H])C=C(C=O)C(=O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C13H17NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2-3,6-7,9-14,17-21H,1H2/t6-,7+,9-,10-,11-,12+,13-/m0/s1",ZGWNRGISVMYHTF-KKXLKBQTSA-N
DB04165,,Valpromide,experimental,,N03AG02,,23420,,VPR,,ZINC000000002238,CHEMBL93836,,DEPAMIDE,74562,71113,CCCC(CCC)C(N)=O,"InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)",OMOMUFTZPTXCHP-UHFFFAOYSA-N
DB04166,118-92-3,Anthranilic acid,experimental,,,,,PA10247,BE2,,ZINC000000047985,CHEMBL14173,50376751,,30754,227,NC1=CC=CC=C1C(O)=O,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",RWZYAGGXGHYGMB-UHFFFAOYSA-N
DB04167,2490-97-3,Aceglutamide,experimental,,,,1426379,,NLQ,46,ZINC000002019886,CHEMBL1234757,,,21553,182230,CC(=O)N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1",KSMRODHGGIIXDV-YFKPBYRVSA-N
DB04168,56741-95-8,Bropirimine,experimental,,,D01666,,,977,3689,ZINC000016051409,CHEMBL37387,50449125,,31307,135413497,NC1=NC(=O)C(Br)=C(N1)C1=CC=CC=C1,"InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)",CIUUIPMOFZIWIZ-UHFFFAOYSA-N
DB04169,,"3,5-Diaminophthalhydrazide",experimental,,,,,,DPZ,,,,,,,1616,NC1=CC(N)=C2C(=O)NNC(=O)C2=C1,"InChI=1S/C8H8N4O2/c9-3-1-4-6(5(10)2-3)8(14)12-11-7(4)13/h1-2H,9-10H2,(H,11,13)(H,12,14)",BAOICLZZDLLDRL-UHFFFAOYSA-N
DB04170,,4-bromo-3-hydroxy-3-methyl butyl diphosphate,experimental,,,,,,BHI,,,CHEMBL361403,,,,448012,C[C@](O)(CBr)CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/t5-/m1/s1",YKAYCWPQDPILSA-RXMQYKEDSA-N
DB04171,,D-Isovaline,experimental,,,,,,DIV,,ZINC000000901763,,,,,6971277,CC[C@@](C)(N)C(O)=O,"InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1",GCHPUFAZSONQIV-RXMQYKEDSA-N
DB04172,,"[2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine",experimental,,,,,,UKP,,ZINC000014881108,CHEMBL212616,23869,,,5289531,[H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)C(=O)CCN,"InChI=1S/C32H48N6O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)43(41,42)36-28(17-23-8-7-9-24(16-23)31(34)35)32(40)38-14-12-37(13-15-38)29(39)10-11-33/h7-9,16,18-22,28,36H,10-15,17,33H2,1-6H3,(H3,34,35)/t28-/m0/s1",WATXEHGLYJKXOF-NDEPHWFRSA-N
DB04173,,Fructose,"['experimental', 'approved']",,V06DC02,,4570,PA449716,LFR,,,,,,43703,439553,OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O,"InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m0/s1",RFSUNEUAIZKAJO-AZGQCCRYSA-N
DB04174,,3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-N-acetylglucosamine,experimental,,,,,,UDA,,ZINC000095543621,CHEMBL1236544,,,,448003,[H]N([C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)N([H])C2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)(OP(O)(O)=O)C(O)=O)C(C)=O,"InChI=1S/C20H32N3O23P3/c1-7(25)21-11-15(43-20(2,18(30)31)45-47(33,34)35)13(28)8(5-24)42-17(11)44-49(38,39)46-48(36,37)40-6-9-12(27)14(29)16(41-9)23-4-3-10(26)22-19(23)32/h3-4,8-9,11-17,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,36,37)(H,38,39)(H,22,26,32)(H2,33,34,35)/t8-,9-,11-,12-,13-,14-,15-,16-,17-,20+/m1/s1",NLBIPGBVVPCESQ-BVDGEXFOSA-N
DB04175,101861-63-6,Mdl-29951,experimental,,,,,,CLI,,ZINC000000004763,CHEMBL31344,50004952,,,446916,OC(=O)CCC1=C(NC2=C1C(Cl)=CC(Cl)=C2)C(O)=O,"InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)",KNBSYZNKEAWABY-UHFFFAOYSA-N
DB04176,,"Phosporic Acid Mono-[3,4-Dihydroxy-5-(5-Methoxy-Benzoimidazol-1-Yl)-Tetrahydro-Furan-2-Ylmethyl] Ester",experimental,,,,,,PMO,,ZINC000005889652,,,,,446492,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=C2C=CC(OC)=C3)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1",VYUPJUKSTVHSQI-LPWJVIDDSA-N
DB04177,143-62-4,Digitoxigenin,experimental,,,,,,DTX,,ZINC000003875959,CHEMBL1453,66977,,42219,4369270,[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2,"InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1",XZTUSOXSLKTKJQ-CESUGQOBSA-N
DB04178,,Di-Stearoyl-3-Sn-Phosphatidylcholine,experimental,,,,,,,,ZINC000085433138,,,,,94191,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1",NRJAVPSFFCBXDT-HUESYALOSA-O
DB04179,271-89-6,Benzofuran,experimental,,,,,,BZF,,ZINC000001591814,CHEMBL363614,50167940,,35260,9223,O1C=CC2=CC=CC=C12,InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H,IANQTJSKSUMEQM-UHFFFAOYSA-N
DB04180,,"4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide",experimental,,,,,,INW,,,,12017,,,446238,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1,"InChI=1S/C14H12F2N2O3S/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(6-3-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)",NTDFJEKGSGSXME-UHFFFAOYSA-N
DB04182,,"(S)-2-Amino-4-[(2s,3r)-2,3,5-Trihydroxy-4-Oxo-Pentyl]Mercapto-Butyric Acid",experimental,,,,,,KRI,,ZINC000012504198,,,,,5288675,[H][C@](N)(CCSC[C@@]([H])(O)[C@@]([H])(O)C(=O)CO)C(O)=O,"InChI=1S/C9H17NO6S/c10-5(9(15)16)1-2-17-4-7(13)8(14)6(12)3-11/h5,7-8,11,13-14H,1-4,10H2,(H,15,16)/t5-,7+,8-/m0/s1",QFXXRJSDEMCBPH-ARDNSNSESA-N
DB04183,516-05-2,Methylmalonic Acid,experimental,,,,,,DXX,,ZINC000000901289,CHEMBL1232416,50038341,,30860,487,CC(C(O)=O)C(O)=O,"InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)",ZIYVHBGGAOATLY-UHFFFAOYSA-N
DB04185,6600-40-4,Norvaline,experimental,,,,,,NVA,,ZINC000000391821,CHEMBL55612,50357215,,18314,6950514,CCC[C@H](N)C(O)=O,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",SNDPXSYFESPGGJ-BYPYZUCNSA-N
DB04186,,"N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea",experimental,,,,,,1PU,,ZINC000003591058,CHEMBL141247,6619,,,445840,[H][C@]12CCCN1C(=O)C1=C2C(NC(=O)NC2=CC=CC=N2)=CC=C1,"InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1",KLVYMYQTRZCMLE-CYBMUJFWSA-N
DB04187,,"(9S,10S)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene",experimental,,,,,,GPS,,ZINC000012501153,,,,,444461,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS[C@]1([H])[C@@H](O)C2=CC=CC=C2C2=CC=CC=C12)C(=O)N([H])CC(O)=O)C(O)=O,"InChI=1S/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21-,22-/m0/s1",JNNIZILNBMPOAC-GPHNJDIKSA-N
DB04188,99207-33-7,MDL72527,experimental,,,,,,MD2,,ZINC000003874176,CHEMBL417844,50015358,,,4026,C=C=CCNCCCCNCC=C=C,"InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2",IKSQCMLJDHRWOA-UHFFFAOYSA-N
DB04189,,N(2)-(2-carboxyethyl)-L-arginine,experimental,,,,,,CMA,,ZINC000001530510,,,,57304,25202473,NC(=N)NCCC[C@H](NCCC(O)=O)C(O)=O,"InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1",OHWCFZJEIHZWMN-LURJTMIESA-N
DB04190,,"2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide]",experimental,,,,,,BEG,,ZINC000024465909,,12217,,,444974,O[C@H](C[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12)[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12,"InChI=1S/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31-,32-,33-,34+,35+,36-/m1/s1",AHAVBKNGKPWROK-UMFPTGFGSA-N
DB04191,144285-77-8,Skf 107457,experimental,,,,,,PSI,,ZINC000003935186,CHEMBL49004,903,,,444196,[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(O)CCC(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)OC,"InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1",IUDCAKKZLXFOQA-QJAPXLAMSA-N
DB04193,672-15-1,L-Homoserine,experimental,,,,,,HSE,,ZINC000000895146,CHEMBL11722,,,15699,12647,N[C@@H](CCO)C(O)=O,"InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1",UKAUYVFTDYCKQA-VKHMYHEASA-N
DB04194,13319-32-9,Triacetylchitotriose,experimental,,,,,,,,ZINC000024425833,CHEMBL1222017,,,71404,444514,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,"InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1",WZZVUHWLNMNWLW-VFCSDQTKSA-N
DB04195,,Heptulose-2-Phosphate,experimental,,,,,,H2P,,,,,,,124823,C[C@]1(OP(O)(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1",QZBAZODTRUGOQS-XUUWZHRGSA-N
DB04196,119-24-4,Pteroic acid,experimental,,,,,,PT1,,ZINC000006628789,CHEMBL341824,6645,,27623,135398749,NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(O)=O)N=C2C(=O)N1,"InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)",JOAQINSXLLMRCV-UHFFFAOYSA-N
DB04197,,Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine,experimental,,,,,,AHI,,,,,,,5287648,N\C(NO)=N/CCC[NH3+],"InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1",HYBLXYGPQAIGPY-UHFFFAOYSA-O
DB04198,,Formycin B,experimental,,,,,,FMB,,ZINC000008577182,CHEMBL1232777,,,42654,135449281,[H][C@]1(CO)O[C@@]([H])(C2=C3N=CNC(=O)C3=NN2)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1",MTCJZZBQNCXKAP-KSYZLYKTSA-N
DB04199,,1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosphate,experimental,,,,,,HHG,,ZINC000002392216,,,,,657119,[H][C@](O)(COC(=O)CCCCC)COP(O)(O)=O,"InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1",FIMVTNBZKNVWDN-QMMMGPOBSA-N
DB04200,580-72-3,Matairesinol,experimental,,,,,,MAX,,ZINC000001595957,CHEMBL425148,50240921,,6698,119205,[H][C@]1(CC2=CC=C(O)C(OC)=C2)COC(=O)[C@]1([H])CC1=CC=C(O)C(OC)=C1,"InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1",MATGKVZWFZHCLI-LSDHHAIUSA-N
DB04201,,Histidyl-Adenosine Monophosphate,experimental,,,,,,HAM,,ZINC000031976542,,,,,444222,[H][C@](N)(CC1=CN=CN1)C(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C16H21N8O8P/c17-8(1-7-2-19-4-20-7)16(27)32-33(28,29)30-3-9-11(25)12(26)15(31-9)24-6-23-10-13(18)21-5-22-14(10)24/h2,4-6,8-9,11-12,15,25-26H,1,3,17H2,(H,19,20)(H,28,29)(H2,18,21,22)/t8-,9+,11+,12+,15+/m0/s1",XTFBSLZFYLGYAT-OPYVMVOTSA-N
DB04202,,Isoformononetin,experimental,,,,,,HMO,,ZINC000000968077,CHEMBL453280,,,29608,3764,COC1=CC=C2C(=O)C(=COC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3",LNIQZRIHAMVRJA-UHFFFAOYSA-N
DB04203,,3-Mercuri-4-Aminobenzenesulfonamide,experimental,,,,,,AMS,,,,,,49484,193512,NC1=CC=C(C=C1[Hg])S(N)(=O)=O,"InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10;/h1,3-4H,7H2,(H2,8,9,10);",KGGLGSZFQPTPPT-UHFFFAOYSA-N
DB04204,,[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid,experimental,,,,,,FEP,,ZINC000002043451,CHEMBL1161222,,,,446665,OP(O)(=O)C(F)(F)C1=CC=C(CCCCC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)C=C1,"InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)",SRHSAABKYJDBDV-UHFFFAOYSA-N
DB04205,,"Thymidine-3',5'-Diphosphate",experimental,,,,,,THP,,ZINC000011422512,CHEMBL1235491,,,,121976,[H][C@@]1(C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O)OP(O)(O)=O,"InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1",CSNCBOPUCJOHLS-XLPZGREQSA-N
DB04206,49758-35-2,7-Aza-L-tryptophan,experimental,,,,,,TRN,,ZINC000006093700,,,,,7000165,N[C@@H](CC1=CNC2=NC=CC=C12)C(O)=O,"InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1",SNLOIIPRZGMRAB-QMMMGPOBSA-N
DB04207,997-68-2,L-Saccharopine,experimental,,,,,,SHR,,ZINC000001532666,,,,16927,160556,N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1",ZDGJAHTZVHVLOT-YUMQZZPRSA-N
DB04208,2107-70-2,"3-(3,4-dimethoxyphenyl)propanoic acid",experimental,,,,,,MPP,,ZINC000000106688,CHEMBL458049,,,44235,75019,COC1=C(OC)C=C(CCC(O)=O)C=C1,"InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)",LHHKQWQTBCTDQM-UHFFFAOYSA-N
DB04209,6707-58-0,Dequalinium,"['approved', 'investigational']","['26506926', '2483904', '19525487', '24811390', '3474661', '21477862', '22875343', '8450414', '26348470', '12404886']","['D08AH01', 'R02AA02', 'G01AC05']",,3226,,DEQ,4376,ZINC000001655706,CHEMBL333826,50048403,DEQUALINIUM,41872,2993,CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2,"InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2",PCSWXVJAIHCTMO-UHFFFAOYSA-P
DB04210,,"3-(alpha-D-galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(hexopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide",experimental,,,,,,BV1,,,,,,,131704269,OCC1OC(OC2=CC(=CC(=C2)[N+]([O-])=O)C(=O)NCCCN2CCN(CCCNC3=C(NCCCN4CCN(CCCNC(=O)C5=CC(=CC(O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)=C5)[N+]([O-])=O)CC4)C(=O)C3=O)CC2)C(O)C(O)C1O,"InChI=1S/C50H72N10O20/c61-27-35-39(63)43(67)45(69)49(79-35)77-33-23-29(21-31(25-33)59(73)74)47(71)53-7-3-11-57-17-13-55(14-18-57)9-1-5-51-37-38(42(66)41(37)65)52-6-2-10-56-15-19-58(20-16-56)12-4-8-54-48(72)30-22-32(60(75)76)26-34(24-30)78-50-46(70)44(68)40(64)36(28-62)80-50/h21-26,35-36,39-40,43-46,49-52,61-64,67-70H,1-20,27-28H2,(H,53,71)(H,54,72)/t35-,36?,39+,40?,43+,44?,45-,46?,49+,50?/m1/s1",WWGXKLSKKKQRMN-MLHPNDMTSA-N
DB04211,,"5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid",experimental,,,,,,FSI,,,,,,,448471,[H][C@]1(O[C@@](O)([C@H](F)[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9-,11+/m1/s1",ALJLGESFXXDPKH-RISWTRDCSA-N
DB04212,,2-Iminiopropanoate,experimental,,,,,,NAK,,,,,,44400,5288980,CC(=[NH2+])C([O-])=O,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)",DUAWRLXHCUAWMK-UHFFFAOYSA-N
DB04213,,N-Cyclohexyl-N'-(Propyl)Phenyl Urea,experimental,,,,,,CPU,,ZINC000002047156,CHEMBL1231909,129287,,,4358,O=C(NCCCC1=CC=CC=C1)NC1CCCCC1,"InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)",HBTZVNKXMFGOOJ-UHFFFAOYSA-N
DB04214,330-13-2,4-Nitrophenyl Phosphate,experimental,,,,,,4NP,,ZINC000001529638,CHEMBL24231,24514,,17440,378,OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)",XZKIHKMTEMTJQX-UHFFFAOYSA-N
DB04215,,CRA_9076,experimental,,,,,,907,,ZINC000033359893,CHEMBL48608,14330,,,447508,CC1=CC(Br)=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+],"InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)",BVTBOJXEAPSOEB-UHFFFAOYSA-N
DB04216,117-39-5,Quercetin,"['experimental', 'investigational']",,,,9060,,QUE,3514,ZINC000003869685,CHEMBL50,7460,QUERCETIN,16243,5280343,OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",REFJWTPEDVJJIY-UHFFFAOYSA-N
DB04217,73537-09-4,L-2-amino-3-butynoic acid,experimental,,,,,,LPG,,,,,,,175496,N[C@@H](C#C)C(O)=O,"InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1",DSUAJFIEKRKPEE-VKHMYHEASA-N
DB04218,,1-Deaza-Adenosine,experimental,,,,,,1DA,,ZINC000003814313,CHEMBL115824,50060165,,,159738,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)C=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1",NVUDDRWKCUAERS-PNHWDRBUSA-N
DB04219,,Trivanadate,experimental,,,,,,VA3,,,,,,,131704270,O[V](=O)(O[V]([O-])=O)O[V](=O)=O,InChI=1S/H2O.7O.3V/h1H2;;;;;;;;;;/q;;;;;;;-1;;;+1/p-1,YEAGUQJQPBKCCU-UHFFFAOYSA-M
DB04220,113303-81-4,CGP 4832,experimental,,,,,,RIF,,,,,,,121225234,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)CC(=O)OCC3CCCN(C)C3)[C@@H]1C)=C(N1CCOCC1)C2=O,"InChI=1S/C49H65N3O15/c1-25-12-10-13-26(2)48(61)50-38-39(52-17-20-63-21-18-52)44(59)35-36(43(38)58)42(57)30(6)46-37(35)47(60)49(7,67-46)65-19-15-32(62-9)27(3)45(29(5)41(56)28(4)40(25)55)66-34(54)22-33(53)64-24-31-14-11-16-51(8)23-31/h10,12-13,15,19,25,27-29,31-32,40-41,45,55-57H,11,14,16-18,20-24H2,1-9H3,(H,50,61)/b12-10+,19-15+,26-13-/t25-,27+,28+,29+,31?,32-,40-,41+,45+,49-/m0/s1",FRCBXOTYSDSELT-DUULCSDKSA-N
DB04221,20256-56-8,Didecyldimethylammonium,"['experimental', 'approved']",,D08AJ06,,1425983,,10A,,ZINC000014881137,CHEMBL1182247,,DIDECYLDIMETHYLAMMONIUM,193591,16958,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,"InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1",JGFDZZLUDWMUQH-UHFFFAOYSA-N
DB04222,1404-64-4,Sparsomycin,experimental,,,,,,SPS,,ZINC000004742520,CHEMBL105720,,,,9543443,CSC[S@+]([O-])C[C@H](CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O,"InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1",XKLZIVIOZDNKEQ-CLQLPEFOSA-N
DB04223,2149-70-4,Nitroarginine,"['experimental', 'investigational']",,,,,,NRG,,ZINC000019796052,CHEMBL227744,21958,,27960,135409365,N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O,"InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1",MRAUNPAHJZDYCK-BYPYZUCNSA-N
DB04224,112-80-1,Oleic Acid,"['vet_approved', 'approved', 'investigational']",,,D02315,7631,,ELA,3400,ZINC000008217338,CHEMBL460657,50250904,,27997,637517,CCCCCCCC\C=C\CCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",ZQPPMHVWECSIRJ-MDZDMXLPSA-N
DB04225,,N-Methyldehydrobutyrine,experimental,,,,,,MDH,,ZINC000100034046,,,,,17754075,CN\C(=C/C)C(O)=O,"InChI=1S/C5H9NO2/c1-3-4(6-2)5(7)8/h3,6H,1-2H3,(H,7,8)/b4-3-",XLSUHJCPPCGPHF-ARJAWSKDSA-N
DB04226,,Dihydro-Acarbose,experimental,,,,,,,,ZINC000098208929,,,,,4369025,[H][C@]1(CO)C[C@]([H])(N[C@]2([H])[C@@]([H])(C)O[C@]([H])(O[C@@]3([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O[C@@]4([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)O[C@]4([H])CO)O[C@]3([H])CO)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C25H45NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h6-39H,2-5H2,1H3/t6-,7-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23+,24-,25-/m1/s1",CUAQESWNTOXZJZ-RTNAABQMSA-N
DB04227,,"9-Amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid",experimental,,,,,,9AM,,ZINC000005884079,CHEMBL140830,,,,445534,[H]N([H])C[C@@H](O)[C@@H](O)[C@]1([H])OC(=C[C@H](O)[C@H]1N([H])C(C)=O)C(O)=O,"InChI=1S/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1",VJTPBNUXDULDQD-UFGQHTETSA-N
DB04228,162870-29-3,Dihydroxyphenylglycine,experimental,,,,,,3FG,,ZINC000000968043,CHEMBL39221,50079183,,29474,443586,N[C@H](C(O)=O)C1=CC(O)=CC(O)=C1,"InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1",HOOWCUZPEFNHDT-ZETCQYMHSA-N
DB04229,,"7,10,13-Tri(Carboxymethyl)-5,15-Dioxo-4,7,10,13,16-Pentaaza-1,19-Dithianonadecane",experimental,,,,,,YMA,,ZINC000022921413,,,,,5289611,OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCS)CCN(CC(O)=O)CC(=O)NCCS,"InChI=1S/C18H33N5O8S2/c24-14(19-1-7-32)9-22(12-17(28)29)5-3-21(11-16(26)27)4-6-23(13-18(30)31)10-15(25)20-2-8-33/h32-33H,1-13H2,(H,19,24)(H,20,25)(H,26,27)(H,28,29)(H,30,31)",MRDWXQKAAKNXSP-UHFFFAOYSA-N
DB04230,,Nitromethyldethia coenzyme A,experimental,,,,,,NMX,,ZINC000098209236,,,,,5289039,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,"InChI=1S/C22H37N8O18P3/c1-22(2,17(33)20(34)25-6-4-13(31)24-5-3-7-30(35)36)9-45-51(42,43)48-50(40,41)44-8-12-16(47-49(37,38)39)15(32)21(46-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,32-33H,3-9H2,1-2H3,(H,24,31)(H,25,34)(H,40,41)(H,42,43)(H2,23,26,27)(H2,37,38,39)/t12-,15-,16-,17+,21-/m1/s1",PUGKTLRHGHIDCJ-GORZOVPNSA-N
DB04231,,Tetra(imidazole)diaquacopper (I),experimental,,,,,,IMF,,,,,,,,[OH2+][Cu-4]([OH2+])([N]1=CNC=C1)([N+]1=CNC=C1)([N+]1=CNC=C1)[N+]1=CNC=C1,"InChI=1S/4C3H4N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H,(H,4,5);;2*1H2/q;;;;+1;;",HBZDUNQUBNOQIC-UHFFFAOYSA-N
DB04232,,N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide,experimental,,,,,,SPI,,ZINC000000580494,,,,,5289389,[H][C@@]1(CN(CCN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)OCC1=CC=CC=C1)C(=O)NO,"InChI=1S/C20H23N3O7S/c1-29-16-7-9-17(10-8-16)31(27,28)23-12-11-22(13-18(23)19(24)21-26)20(25)30-14-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,24)/t18-/m1/s1",DNGGPLKVDUPXFN-GOSISDBHSA-N
DB04233,,(Hydroxyethyloxy)Tri(Ethyloxy)Octane,experimental,,,,,,C8E,,ZINC000014881140,,,,41323,5414,CCCCCCCCOCCOCCOCCOCCO,"InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3",FEOZZFHAVXYAMB-UHFFFAOYSA-N
DB04234,,N2-({[(4-Bromophenyl)Methyl]Oxy}Carbonyl)-N1-[(1s)-1-Formylpentyl]-L-Leucinamide,experimental,,,,,,MYE,,ZINC000012504234,,,,,5288867,[H][C@@](CCCC)(NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=C(Br)C=C1)C=O,"InChI=1S/C20H29BrN2O4/c1-4-5-6-17(12-24)22-19(25)18(11-14(2)3)23-20(26)27-13-15-7-9-16(21)10-8-15/h7-10,12,14,17-18H,4-6,11,13H2,1-3H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1",UEDKSAKLZBMNMA-ROUUACIJSA-N
DB04235,,4-Amino Hexanoic Acid,experimental,,,,,,VIG,,ZINC000005925575,,,,,5289553,[H][C@@](N)(CC)CCC(O)=O,"InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1",ROFNJLCLYMMXCT-RXMQYKEDSA-N
DB04236,,2-Amino-3-(1h-Indol-3-Yl)-Propan-1-Ol,experimental,,,,,,TPL,,ZINC000000403176,CHEMBL1222398,,,,6951149,[H][C@@](N)(CO)CC1=CNC2=CC=CC=C12,"InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1",UDQCRUSSQAXPJY-VIFPVBQESA-N
DB04237,,Tris(Hydroxyethyl)Aminomethane,experimental,,,,,,TAM,,,,,,,448009,NC(CCO)(CCO)CCO,"InChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2",GKODZWOPPOTFGA-UHFFFAOYSA-N
DB04238,,N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid,experimental,,,,,,FD1,,ZINC000003834144,CHEMBL1161253,50472494,,,446604,[H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N1CCCC[C@]1([H])C(O)=O,"InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1",GNANSBQAIRJZPA-XZOQPEGZSA-N
DB04239,,2-Amino-6-Aminomethyl-8-Phenylsulfanylmethyl-3h-Quinazolin-4-One,experimental,,,,,,KMB,,ZINC000012504238,,,,,135509113,NCC1=CC(CSC2=CC=CC=C2)=C2N=C(N)NC(=O)C2=C1,"InChI=1S/C16H16N4OS/c17-8-10-6-11(9-22-12-4-2-1-3-5-12)14-13(7-10)15(21)20-16(18)19-14/h1-7H,8-9,17H2,(H3,18,19,20,21)",CBFXRTSHUMEYKQ-UHFFFAOYSA-N
DB04240,,"(1S)-1-C-{(2R)-6-[(2R)-2-Butanyl]-5,10-dihydroxy-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl}-5-deoxy-1-O-methyl-D-xylulose",experimental,,,,,,DXA,,ZINC000012504239,,,,,5288133,CC[C@@H](C)C1=C(O)C2=C(O)C3=C(C[C@H](CC3=O)[C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)C=C2C=C1,"InChI=1S/C24H30O7/c1-5-11(2)16-7-6-13-8-14-9-15(24(31-4)23(30)20(27)12(3)25)10-17(26)18(14)22(29)19(13)21(16)28/h6-8,11-12,15,20,24-25,27-29H,5,9-10H2,1-4H3/t11-,12-,15-,20+,24+/m1/s1",XGORHSPGULYMCV-HHYQQTLHSA-N
DB04241,,N-Pyridoxyl-2-Methylalanine-5-Phosphate,experimental,,,,,,NMA,,ZINC000002046989,,,,,445009,CC1=NC=C(COP(O)(O)=O)C(CNC(C)(C)C(O)=O)=C1O,"InChI=1S/C12H19N2O7P/c1-7-10(15)9(5-14-12(2,3)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,5-6H2,1-3H3,(H,16,17)(H2,18,19,20)",NHGDGJKONAZETF-UHFFFAOYSA-N
DB04242,99-96-7,4-hydroxybenzoic acid,experimental,,,,1649527,,PHB,,ZINC000000332752,CHEMBL441343,26194,,30763,135,OC(=O)C1=CC=C(O)C=C1,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",FJKROLUGYXJWQN-UHFFFAOYSA-N
DB04243,,TMP,experimental,,,,,,5MU,,,CHEMBL1230421,,,45394,12803287,CC1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O,"InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1",IGWHDMPTQKSDTL-JXOAFFINSA-N
DB04244,,(2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide,experimental,,,,,,I10,,ZINC000003870500,,,,,5288593,[H]N(C[C@@H](O)CN([H])S(=O)(=O)C1=CC=CC=N1)C(=O)[C@H](CC(C)C)C1=CC=CC(=C1)C1=CC=CC=C1,"InChI=1S/C26H31N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,23-24,29-30H,15,17-18H2,1-2H3,(H,28,31)/t23-,24-/m1/s1",YCDHZDINQZLSRR-DNQXCXABSA-N
DB04246,,CRA_23653,experimental,,,,,,653,,,,14358,,,135559095,NC(=N)C1=CC2=C(C=C1)N=C(N2)C1=CC(CC[NH3+])=CC(=C1O)C1=CC=CC=C1,"InChI=1S/C22H21N5O/c23-9-8-13-10-16(14-4-2-1-3-5-14)20(28)17(11-13)22-26-18-7-6-15(21(24)25)12-19(18)27-22/h1-7,10-12,28H,8-9,23H2,(H3,24,25)(H,26,27)/p+1",YYUZFCLHOQHMPT-UHFFFAOYSA-O
DB04248,,beta-(1->4)-galactotriose,experimental,,,,,,,,ZINC000016051575,,,,40896,448924,[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1",FYGDTMLNYKFZSV-XJJKTWKOSA-N
DB04249,,Zinc Substituted Heme C,experimental,,,,,,HES,,,,,,,,[Zn+4].[H]\C(C)=C1\C(C)=C2[N-]\C\1=C([H])/C1=C(C)C(=C([H])C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]\C(=C/2\[H])C(C)=C1CCC(O)=O,"InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7+,22-8?,26-13-,29-14-,30-15-,31-16-;",OSHBEULYPOLYCE-DXQPMOBYSA-N
DB04250,,Butyrylthiocholine,experimental,,,,,,BCH,,ZINC000001592591,CHEMBL139908,8978,,41055,20689,CCCC(=O)SCC[N+](C)(C)C,"InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1",AWBGQVBMGBZGLS-UHFFFAOYSA-N
DB04252,13184-27-5,N-Carbamoylaspartic acid,experimental,,,,,,NCD,,ZINC000000895230,,,,15859,93072,NC(=O)N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1",HLKXYZVTANABHZ-REOHCLBHSA-N
DB04253,21919-05-1,Tretazicar,investigational,,,,,,CB1,,ZINC000004475105,CHEMBL23330,50004681,CB-1954,,89105,NC(=O)C1=CC(N2CC2)=C(C=C1[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)",WOCXQMCIOTUMJV-UHFFFAOYSA-N
DB04254,,"8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine",experimental,,,,,,PUX,,ZINC000003833895,CHEMBL109822,15385,,,448976,CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=C(F)N=C12,"InChI=1S/C17H18FN5O2/c1-2-3-6-23-13(20-14-15(19)21-17(18)22-16(14)23)8-10-4-5-11-12(7-10)25-9-24-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,19,21,22)",ARWHTQLGMWHTAZ-UHFFFAOYSA-N
DB04255,,Inhibitor BEA388,experimental,,,,,,BEC,,ZINC000024495650,CHEMBL573887,12216,,,445305,CNC(=O)[C@@H](NC(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12)C(C)C,"InChI=1S/C35H43N3O8/c1-21(2)27(33(42)36-3)37-34(43)31(45-19-22-12-6-4-7-13-22)29(40)30(41)32(46-20-23-14-8-5-9-15-23)35(44)38-28-25-17-11-10-16-24(25)18-26(28)39/h4-17,21,26-32,39-41H,18-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44)/t26-,27+,28+,29-,30-,31-,32-/m1/s1",VZNNJZGVQVNHCM-CDNLURBZSA-N
DB04256,150145-89-4,(S)-alpha-methyl-4-carboxyphenylglycine,experimental,,,,,,MCG,,ZINC000002559035,CHEMBL257626,50212325,,43876,139055582,C[C@@](N)(C(O)=O)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1",DNCAZYRLRMTVSF-JTQLQIEISA-N
DB04257,373-49-9,Palmitoleic Acid,experimental,,,,,,PAM,,ZINC000008221009,CHEMBL453509,50269531,,28716,445638,CCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",SECPZKHBENQXJG-FPLPWBNLSA-N
DB04258,134404-52-7,Seocalcitol,investigational,,,,,,EB1,,ZINC000003925433,CHEMBL1908376,,SEOCALCITOL,,5288149,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\C=C\C(O)(CC)CC,"InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1",LVLLALCJVJNGQQ-SEODYNFXSA-N
DB04259,,"7-Methyl-7,8-dihydroguanosine 5'-(dihydrogen phosphate)",experimental,,,,,,7MG,,ZINC000013543160,,,,,135509071,[H]N([H])C1=NC(=O)C2=C(N1[H])N(CN2C)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1",ZMWJGXGSWZFZPJ-KQYNXXCUSA-N
DB04260,,"9-(5,5-Difluoro-5-Phosphonopentyl)Guanine",experimental,,,,,,HA1,,ZINC000003799963,CHEMBL236708,50214705,,,135460987,NC1=NC2=C(N=CN2CCCCC(F)(F)P(O)(O)=O)C(=O)N1,"InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)",JANQQPWTLXUSCD-UHFFFAOYSA-N
DB04261,463-77-4,Carbamic Acid,experimental,,,,,,OUT,,ZINC000008383199,CHEMBL125278,50369454,,28616,277,NC(O)=O,"InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)",KXDHJXZQYSOELW-UHFFFAOYSA-N
DB04262,,3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid,experimental,,,,,,RLP,,ZINC000103555562,,,,,,[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)CN1C(O)=C(CCC(O)=O)N=C2C(O)=NC(=O)N=C12,"InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24,26H,1-4H2,(H,22,23)(H,17,25,27)/t6-,7+,10-/m0/s1",ZUXCIPRCLKZSHS-PJKMHFRUSA-N
DB04263,49863-47-0,Geneticin,experimental,,,,,,GET,,ZINC000043543817,CHEMBL215226,,,,123865,[H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O[C@]([H])([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1N,"InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1",BRZYSWJRSDMWLG-DJWUNRQOSA-N
DB04264,,"(10R)-10-formyl-5,8,10-trideazafolic acid",experimental,,,,,,NHR,,ZINC000003870535,,,,,135460968,[H]N([H])C1=NC(=O)C2=C(C=CC(C[C@@H](C(O)=O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H],"InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17+/m1/s1",DAOQLLQRJAXMGY-PBHICJAKSA-N
DB04265,19342-33-7,N-acetyl-beta-neuraminic acid,experimental,,,,,,SLB,,ZINC000003793840,CHEMBL165084,50063302,,45744,445063,CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1",SQVRNKJHWKZAKO-PFQGKNLYSA-N
DB04266,,"5-(6-D-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid",experimental,,,,,,INJ,,ZINC000003871086,,,,,445357,[H]N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=C(CCCCCP(O)(O)=O)C(=O)N([H])C(=O)N1[H],"InChI=1S/C14H26N3O9P/c18-7-10(20)11(21)9(19)6-15-12-8(13(22)17-14(23)16-12)4-2-1-3-5-27(24,25)26/h9-11,18-21H,1-7H2,(H2,24,25,26)(H3,15,16,17,22,23)/t9-,10+,11-/m0/s1",BMATWAHJJFXMFA-AXFHLTTASA-N
DB04267,499-83-2,Dipicolinic acid,experimental,,,,,,PDC,,ZINC000000105246,CHEMBL284104,26116,,46837,10367,OC(=O)C1=CC=CC(=N1)C(O)=O,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)",WJJMNDUMQPNECX-UHFFFAOYSA-N
DB04268,,Methylumbelliferyl chitotriose,experimental,,,,,,UMG,,ZINC000098209497,,,,,5289535,[H]N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](OC4=CC5=C(C=C4)C(C)=CC(=O)O5)[C@H](N([H])C(C)=O)[C@H]3O)[C@H](N([H])C(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)=O,"InChI=1S/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(46)26(45)19(9-38)51-33/h5-8,19-21,23-34,38-40,45-48H,9-11H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)/t19-,20-,21-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+/m1/s1",BNYGKUQXGBVTRE-ITRNKESMSA-N
DB04269,129033-04-1,Cyclotheonamide A,experimental,,,,,,CTA,,ZINC000027439086,CHEMBL342672,50118723,,,5287991,[H][C@@]12CCCN1C(=O)[C@H](CNC(=O)\C=C\[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C(=O)[C@H](CCCNC(N)=N)NC2=O)NC=O,"InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1",CDWXSPKJKIUEQF-BIXWYCRZSA-N
DB04270,,(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid,experimental,,,,,,YPA,,ZINC000001910340,CHEMBL86658,50109547,,,446758,[H][C@@](CC1=CC=C(OCCN2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1)(OCC)C(O)=O,"InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1",WUZIMDSVRIBNNI-DEOSSOPVSA-N
DB04271,,"3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",experimental,,,,,,DEE,,ZINC000000109930,CHEMBL506972,14779,,,215436,CCOC(=O)C1=C(C)NN=C1C,"InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)",BCKARVLFIJPHQU-UHFFFAOYSA-N
DB04272,77-92-9,Citric acid,"['vet_approved', 'approved', 'nutraceutical']",,A09AB04,D00037,21183,PA449021,CIT,666,ZINC000000895081,CHEMBL1261,14672,CITRIC ACID MONOHYDRATE,30769,19782904,OC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KRKNYBCHXYNGOX-UHFFFAOYSA-N
DB04273,,"8,9-Dichloro-2,3,4,5-Tetrahydro-1h-Benzo[C]Azepine",experimental,,,,,,LY1,,,CHEMBL38681,14061,,,121938,ClC1=CC=C2CCCNCC2=C1Cl,"InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2",IADAQXMUWITWNG-UHFFFAOYSA-N
DB04274,2545-13-3,(2S)-7-hydroxyflavanone,experimental,,,,,,DDC,,ZINC000000057920,CHEMBL402744,50535254,,41888,688857,OC1=CC2=C(C=C1)C(=O)C[C@H](O2)C1=CC=CC=C1,"InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1",SWAJPHCXKPCPQZ-AWEZNQCLSA-N
DB04275,1210-83-9,N-acetylserotonin,experimental,,,,,PA140222717,ASE,,ZINC000000066104,CHEMBL33103,29612,,17697,903,CC(=O)NCCC1=CNC2=C1C=C(O)C=C2,"InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)",MVAWJSIDNICKHF-UHFFFAOYSA-N
DB04276,,4-[[(2S)-2-[[(2S)-3-Carboxy-2-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butyl-(diaminomethylidene)azanium,experimental,,,,,,E64,,,,,,,5288145,CC(C)C[C@H](NC(=O)[C@@H](O)CC(O)=O)C(=O)NCCCC[NH+]=C(N)N,"InChI=1S/C15H29N5O5/c1-9(2)7-10(20-14(25)11(21)8-12(22)23)13(24)18-5-3-4-6-19-15(16)17/h9-11,21H,3-8H2,1-2H3,(H,18,24)(H,20,25)(H,22,23)(H4,16,17,19)/p+1/t10-,11-/m0/s1",QPQNJAXBPHVASB-QWRGUYRKSA-O
DB04277,,Fructose -6-Phosphate,experimental,,,,,,TG6,,ZINC000085550138,,,,47947,5459952,OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6+/m1/s1",GSXOAOHZAIYLCY-PBXRRBTRSA-N
DB04278,,2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide,experimental,,,,,,NMP,,ZINC000015677257,,,,,5496715,[H]N([H])C(=N[C@H](C1CCCCC1)C(=O)N([H])CC(=O)N([H])[C@@H](C)C(=O)N([H])CCCS)N([H])[H],"InChI=1S/C17H32N6O3S/c1-11(15(25)20-8-5-9-27)22-13(24)10-21-16(26)14(23-17(18)19)12-6-3-2-4-7-12/h11-12,14,27H,2-10H2,1H3,(H,20,25)(H,21,26)(H,22,24)(H4,18,19,23)/t11-,14+/m0/s1",YLLNYDDZOMCFDE-SMDDNHRTSA-N
DB04279,,3-Isopropylmalic Acid,experimental,,,,,,IPM,,,,,,35114,36,CC(C)C(C(O)C(O)=O)C(O)=O,"InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)",RNQHMTFBUSSBJQ-UHFFFAOYSA-N
DB04280,,"3,4-Dihydro-2'-deoxyuridine-5'-monophosphate",experimental,,,,,,DDN,,ZINC000005850864,,,,,449076,[H]N1[C@H](O)C=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C1=O,"InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1",ILSIYJVILUIVPM-LXGUWJNJSA-N
DB04281,,"2-[4-(4-Chlorophenyl)Cyclohexylidene]-3,4-Dihydroxy-1(2h)-Naphthalenone",experimental,,,,,,AFI,,,,,,,,[H]C1(CCC(CC1)=C1C(O)=C(O)C2=CC=CC=C2C1=O)C1=CC=C(Cl)C=C1,"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,25-26H,5-8H2/b19-15-/t13-/m0/s1",HKIDMHSZRQSXJE-XEMYWUMJSA-N
DB04282,,2-deoxy-2-fluoro-α-D-glucose,experimental,,,,,,G2F,,ZINC000003809846,CHEMBL1086863,,FLUDEOXYGLUCOSE F-18,49132,445226,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])F,"InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1",ZCXUVYAZINUVJD-UKFBFLRUSA-N
DB04283,87781-93-9,2-Bromohypoxanthine,experimental,,,,,,BOA,,ZINC000009974955,,,,,135413991,BrC1=NC2=C(NC=N2)C(=O)N1,"InChI=1S/C5H3BrN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)",ONXCBJOMYNPZNI-UHFFFAOYSA-N
DB04284,471-87-4,L-proline betaine,experimental,,,,,,PBE,,,CHEMBL1456892,,,35280,115244,C[N+]1(C)CCC[C@H]1C([O-])=O,"InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1",CMUNUTVVOOHQPW-LURJTMIESA-N
DB04285,,"{4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid",experimental,,,,,,P90,,ZINC000014881165,,,,,448025,[H]\C(C[C@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(N1N=NC2=CC=CC=C12)C1=NC2=CC=CC=C2S1)=C(\[H])C1=CC=CC=C1,"InChI=1S/C31H25F2N4O3PS/c32-31(33,41(38,39)40)24-18-16-23(17-19-24)21-30(20-8-11-22-9-2-1-3-10-22,29-34-26-13-5-7-15-28(26)42-29)37-27-14-6-4-12-25(27)35-36-37/h1-19H,20-21H2,(H2,38,39,40)/b11-8+/t30-/m1/s1",GBLDYRVJENYQNH-AGLOJYHOSA-N
DB04286,7296-60-8,beta-D-Ribopyranose,experimental,,,,,,RIP,,ZINC000004097544,CHEMBL1159662,,,27476,441481,O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1",SRBFZHDQGSBBOR-TXICZTDVSA-N
DB04287,393569-31-8,KH064,experimental,,,,,,BHP,,ZINC000003966076,CHEMBL1084102,82331,,,446400,[H]N([C@@H](CCC(O)=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)CCCCCCC1=CC=CC=C1,"InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1",KWLUIYFCMHKLKY-NDEPHWFRSA-N
DB04288,,2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine,experimental,,,,,,I17,,,CHEMBL150261,11460,,,,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C3CCCC3)C2=N1,"InChI=1S/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-",JTVILUUAQWQWBK-IYARVYRRSA-N
DB04289,,Genz-10850,experimental,,,,,,GEQ,,ZINC000021289745,CHEMBL216579,25796,,,447767,O=C(N1CCN(CC1)C1C2=CC=CC=C2C2=CC=CC=C12)C1=CC2=C(NC=C2)C=C1,"InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2",YYMZSGIXLQPFAC-UHFFFAOYSA-N
DB04291,32462-30-9,Oxfenicine,experimental,3398058,,D05292,,,D4P,,ZINC000006667724,CHEMBL1232077,50403035,,31755,36143,N[C@H](C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1",LJCWONGJFPCTTL-ZETCQYMHSA-N
DB04292,,4-[(Isopropylamino)Methyl]Phenylalanine,experimental,,,,,,IAM,,ZINC000012504274,,,,,46936944,CC(C)NCC1=CC=C(C[C@H](N)C(O)=O)C=C1,"InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1",RXWNCPQKMXQDHN-LBPRGKRZSA-N
DB04293,,7-(2-Amino-2-Phenyl-Acetylamino)-3-Chloro-8-Oxo-1-Aza-Bicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid,experimental,,,,,,LOR,,,CHEMBL3545874,,,,12897341,N[C@@H](C(=O)N[C@@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1,"InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12-/m1/s1",JAPHQRWPEGVNBT-IJLUTSLNSA-N
DB04294,,5-Phosphoribosyl-1-(Beta-Methylene) Pyrophosphate,experimental,,,,,,PPC,,ZINC000012504276,,,,,448176,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(OP(O)(=O)CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O,"InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1",JFMKBQDEISBIPL-KVTDHHQDSA-N
DB04295,,N-(Benzoylcarbamoyl)-beta-D-glucopyranosylamine,experimental,,,,,,BZD,,ZINC000006578607,CHEMBL489799,50263771,,,446600,[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N([H])C(=O)C1=CC=CC=C1,"InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1",JSBCZGSPFATCOV-BZNQNGANSA-N
DB04296,,5-Oxo-L-Norleucine,experimental,,,,,,ONL,,ZINC000000895890,,,,,5289072,[H][C@](N)(CCC(C)=O)C(O)=O,"InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1",KSIJECNNZVKMJG-YFKPBYRVSA-N
DB04297,58880-19-6,Trichostatin A,experimental,,,,,,TSN,,ZINC000100014731,CHEMBL99,50005711,TRICHOSTATIN,46024,444732,C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1",RTKIYFITIVXBLE-QEQCGCAPSA-N
DB04298,,"3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One",experimental,,,,,,NH1,,ZINC000100034141,,,,,54688711,CC1=CC(SC2=C(O)C[C@](CCC3=CC=C(O)C=C3)(OC2=O)C2CCCC2)=C(C=C1N)C(C)(C)C,"InChI=1S/C29H37NO4S/c1-18-15-25(22(16-23(18)30)28(2,3)4)35-26-24(32)17-29(34-27(26)33,20-7-5-6-8-20)14-13-19-9-11-21(31)12-10-19/h9-12,15-16,20,31-32H,5-8,13-14,17,30H2,1-4H3/t29-/m0/s1",ZEBFKFGJWHOOST-LJAQVGFWSA-N
DB04299,110-16-7,Maleic acid,experimental,,,,1426330,,MAE,,ZINC000012358683,CHEMBL539648,,,18300,444266,OC(=O)\C=C/C(O)=O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-",VZCYOOQTPOCHFL-UPHRSURJSA-N
DB04300,,"(1s,3r,4r,6s)-1,3,4,6-Tetrapkisphosphate",experimental,,,,,,I4P,,ZINC000071789370,,,,16155,,O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+",ZAWIXNGTTZTBKV-JMVOWJSSSA-N
DB04301,,Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate,experimental,,,,,,BAH,,,,,,,2384,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(O)(O)C1=NC2=C(N1)C=C(C=C2)C([NH3+])=[NH2+],"InChI=1S/C17H16N8O2/c18-13(19)7-1-3-9-11(5-7)24-15(22-9)17(26,27)16-23-10-4-2-8(14(20)21)6-12(10)25-16/h1-6,26-27H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2",ZLAHDRAQCSQPOC-UHFFFAOYSA-P
DB04302,82079-32-1,"4-Hydroxy-3,5-Dimethyl-5-(2-Methyl-Buta-1,3-Dienyl)-5h-Thiophen-2-One",experimental,,,,,,TLM,,ZINC000004099011,CHEMBL399043,,,,135403829,C\C(C=C)=C/[C@@]1(C)SC(=O)C(C)=C1O,"InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1",SYQNUQSGEWNWKV-XUIVZRPNSA-N
DB04303,,4-O-methyl-alpha-D-glucuronic acid,experimental,,,,,,GCV,,,CHEMBL187785,,,,445994,[H][C@]1(O)O[C@]([H])(C(O)=O)[C@@]([H])(OC)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7+/m1/s1",WGLLPAPKWFDHHV-NRGGUMNKSA-N
DB04304,526-97-6,L-Gluconic Acid,experimental,,,,,PA449770,2UF,,ZINC000003869787,,,,16154,6857417,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1",RGHNJXZEOKUKBD-QTBDOELSSA-N
DB04306,,"5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine",experimental,,,,,,TQ4,,ZINC000000172633,CHEMBL83547,18046,,,446245,CC1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1,"InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)",UOJFGEAPSYQDIP-UHFFFAOYSA-N
DB04307,,5-Hydroxy-N-Propargyl-1(R)-Aminoindan,experimental,,,,,,RHP,,,CHEMBL371428,10799,,,5289289,[H][C@]1(CCC2=CC=C(O)C=C12)NCC#C,"InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1",NRSDGDXUWMMUEV-GFCCVEGCSA-N
DB04308,22818-40-2,D-4-hydroxyphenylglycine,experimental,,,,,,GHP,,ZINC000000157101,,,,57475,89853,[H][C@](N)(C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1",LJCWONGJFPCTTL-SSDOTTSWSA-N
DB04310,13434-13-4,2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide,experimental,,,,,,BB2,,ZINC000003979014,CHEMBL308333,50089194,,,443600,[H][C@@](CCCCC)(CC(=O)NO)C(=O)N[C@@]([H])(C(C)C)C(=O)N1CCC[C@@]1([H])CO,"InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1",XJLATMLVMSFZBN-VYDXJSESSA-N
DB04311,,4-Phenylbutylamine,experimental,,,,,,PBN,,ZINC000002567989,CHEMBL79512,50113840,,44814,83242,NCCCCC1=CC=CC=C1,"InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2",AGNFWIZBEATIAK-UHFFFAOYSA-N
DB04312,,"2,3-Difluorobenzyl Alcohol",experimental,,,,,,DFB,,ZINC000000409277,CHEMBL1232182,,,41883,447153,OCC1=CC=CC(F)=C1F,"InChI=1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2",JSFGDUIJQWWBGY-UHFFFAOYSA-N
DB04313,121570-10-3,(3S)-3-methyl-D-aspartic acid,"['experimental', 'investigational']",,,,,,ACB,,ZINC000001677332,,,,194704,5287600,C[C@@H]([C@@H](N)C(O)=O)C(O)=O,"InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1",LXRUAYBIUSUULX-STHAYSLISA-N
DB04314,1122-47-0,1-Methylcytosine,experimental,,,,,,1MC,,ZINC000000966672,CHEMBL500883,,,39624,79143,CN1C=CC(N)=NC1=O,"InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)",HWPZZUQOWRWFDB-UHFFFAOYSA-N
DB04315,146-91-8,Guanosine-5'-Diphosphate,experimental,,,,,,GDP,,ZINC000008215481,CHEMBL384759,92459,,17552,135398619,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",QGWNDRXFNXRZMB-UUOKFMHZSA-N
DB04316,,D-[(N-Hydroxyamino)Carbonyl]Phenylalanine,experimental,,,,,,INF,,ZINC000003872182,,,,,446049,[H]N(O)C(=O)N([H])[C@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1",IOFPEOPOAMOMBE-MRVPVSSYSA-N
DB04317,,"3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid",experimental,,,,,,DCO,,ZINC000001625170,,,,,367584,OC(=O)C(CP(O)(O)=O)=C(Cl)Cl,"InChI=1S/C4H5Cl2O5P/c5-3(6)2(4(7)8)1-12(9,10)11/h1H2,(H,7,8)(H2,9,10,11)",IBGSKYLUHGAGLB-UHFFFAOYSA-N
DB04318,,Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide,experimental,,,,,,RXP,,ZINC000026576087,,,,,446143,[H]N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CCCC1=CC=CC=C1)CP(O)(=O)[C@@H](CC1=CC=CC=C1)N([H])C(=O)OCC1=CC=CC=C1,"InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36+/m1/s1",YQEMFOGNUTYMTJ-JNBVYXHXSA-N
DB04320,,2-Bromo-2-Propene-1-Ol,experimental,,,,,,BRP,,ZINC000002043455,,,,49514,446627,OCC(Br)=C,"InChI=1S/C3H5BrO/c1-3(4)2-5/h5H,1-2H2",MDFFZNIQPLKQSG-UHFFFAOYSA-N
DB04321,,N-Hexylphosphonate Ethyl Ester,experimental,,,,,,HEE,,ZINC000005973159,CHEMBL119521,50148593,,,446896,CCCCCC[P@@](O)(=O)OCC,"InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)",XPLOQMVUXWZLET-UHFFFAOYSA-N
DB04322,,LY249543,experimental,,,,,,L24,,ZINC000001637602,,,,,135409836,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CCC3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C2)N1[H],"InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1",ZUQBAQVRAURMCL-WFASDCNBSA-N
DB04323,,2-Amino-3-(Cystein-S-Yl)-Isoxazolidin-5-Yl-Acetic Acid,experimental,,,,,,5CS,,ZINC000006361516,,,,,17753793,[H][C@](N)(CS[C@]1([H])C[C@@]([H])(ON1)[C@]([H])(N)C(O)=O)C(O)=O,"InChI=1S/C8H15N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-6,11H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4+,5+,6-/m0/s1",YLODKYYPRFTBNK-KCDKBNATSA-N
DB04324,,Ovalicin,experimental,,,,,,OVA,,ZINC000012504299,,,,,5289086,[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1(O)[C@]([H])(OC)C(=O)CC[C@@]1(C)O,"InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1",UOXVFQCRPDLSFN-DGXTUMSLSA-N
DB04325,64-04-0,Phenethylamine,experimental,,,,1309741,,PEA,,ZINC000006579654,CHEMBL610,10758,,18397,1001,NCCC1=CC=CC=C1,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",BHHGXPLMPWCGHP-UHFFFAOYSA-N
DB04326,57-04-5,Dihydroxyacetone phosphate,investigational,,,,,,13P,,ZINC000024492326,CHEMBL1161998,,,16108,668,OCC(=O)COP(O)(O)=O,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)",GNGACRATGGDKBX-UHFFFAOYSA-N
DB04327,,Phosphatidylethanolamine,experimental,,,,8215,,PEE,,,,,,44887,17754130,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/p+1/t39-/m0/s1",LVNGJLRDBYCPGB-KDXMTYKHSA-O
DB04328,,Shikimate-3-Phosphate,experimental,,,,,,S3P,,ZINC000003870237,CHEMBL95193,100283,,17052,121947,O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O,"InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1",QYOJSKGCWNAKGW-PBXRRBTRSA-N
DB04329,119-65-3,Isoquinoline,experimental,,,,,,ISQ,,ZINC000000896098,CHEMBL12315,60921,,16092,8405,C1=CC=C2C=NC=CC2=C1,InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H,AWJUIBRHMBBTKR-UHFFFAOYSA-N
DB04330,,Bilh 434,experimental,,,,,,434,,ZINC000058660884,,,,,5287508,[H][C@]1(O[C@@]2(C(=O)C3=C(C=C(C)C=C3)C2=O)[C@]([H])(C(O)=O)[C@]1([H])C(=O)NC1=CC=C(C=C1)C1=CSN=N1)C1=CC(Cl)=C(Cl)C=C1,"InChI=1S/C29H19Cl2N3O6S/c1-13-2-8-17-18(10-13)26(36)29(25(17)35)23(28(38)39)22(24(40-29)15-5-9-19(30)20(31)11-15)27(37)32-16-6-3-14(4-7-16)21-12-41-34-33-21/h2-12,22-24H,1H3,(H,32,37)(H,38,39)/t22-,23-,24-,29+/m0/s1",KNRVCCXHLSHTFW-HGPRPZRGSA-N
DB04331,254753-54-3,Monastrol,experimental,,,,,,NAT,,ZINC000004425506,CHEMBL254432,,,75384,794323,CCOC(=O)C1=C(C)NC(=S)N[C@H]1C1=CC=CC(O)=C1,"InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1",LOBCDGHHHHGHFA-LBPRGKRZSA-N
DB04332,,2-{2-[2-2-(Methoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethanol,experimental,,,,,,ETE,,ZINC000001580161,CHEMBL1232586,,,189796,90263,COCCOCCOCCOCCO,"InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3",ZNYRFEPBTVGZDN-UHFFFAOYSA-N
DB04333,373-44-4,Octamethylenediamine,experimental,,,,,,DIA,,ZINC000001677582,CHEMBL29392,50129716,,73112,24250,NCCCCCCCCN,InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2,PWGJDPKCLMLPJW-UHFFFAOYSA-N
DB04334,64192-68-3,6-hydroxydopa quinone,experimental,,,,,,TPQ,,,,,,36076,,N[C@@H](CC1=CC(=O)C(O)=CC1=O)C(O)=O,"InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1",AGMJSPIGDFKRRO-YFKPBYRVSA-N
DB04335,58-63-9,Inosine,"['experimental', 'investigational']",,"['S01XA10', 'G01AX02', 'D06BB05']",D00054,1483575,PA130230922,NOS,3301,ZINC000008855117,CHEMBL1556,50366815,INOSINE,17596,135398641,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O,"InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1",UGQMRVRMYYASKQ-KQYNXXCUSA-N
DB04336,,1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea,experimental,,,,,,GP6,,ZINC000002047873,,,,,2014,NC(=N)C1=CC=C(NC(=O)NC2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C14H13ClN4O/c15-10-3-7-12(8-4-10)19-14(20)18-11-5-1-9(2-6-11)13(16)17/h1-8H,(H3,16,17)(H2,18,19,20)",HQWKMDKTTCPCMQ-UHFFFAOYSA-N
DB04337,593-75-9,Isocyanomethane,experimental,,,,,,MNC,,,,,,44177,11646,C[N+]#[C-],InChI=1S/C2H3N/c1-3-2/h1H3,ZRKSVHFXTRFQFL-UHFFFAOYSA-N
DB04338,,SB220025,experimental,,,,,,SB4,,ZINC000000007258,CHEMBL274064,15239,,82713,5164,NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1,"InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)",VSPFURGQAYMVAN-UHFFFAOYSA-N
DB04339,638-23-3,Carbocisteine,"['approved', 'investigational']","['8287066', '27957326', '28786969', '1673403', '19664007', '25126252', '20956181', '40841', '21818391', '26997568', '19281081']",R05CB03,D00175,2023,,CCS,4160,ZINC000001529732,CHEMBL396416,50213735,L-CARBOCISTEINE,16163,193653,N[C@@H](CSCC(O)=O)C(O)=O,"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",GBFLZEXEOZUWRN-VKHMYHEASA-N
DB04340,,2-[(Dioxidophosphoranyl)oxy]benzoate,experimental,,,,,,2PB,,,,,,,,[O-]C(=O)C1=CC=CC=C1OP([O-])=O,"InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2",BTPFLIXGJHTRNG-UHFFFAOYSA-L
DB04341,,S-(3-Iodobenzyl)glutathione,experimental,,,,,,GBI,,ZINC000014881179,,,,,449342,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC(I)=CC=C1)C(=O)N([H])CC(O)=O)C(O)=O,"InChI=1S/C17H22IN3O6S/c18-11-3-1-2-10(6-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)5-4-12(19)17(26)27/h1-3,6,12-13H,4-5,7-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1",AHWSFXKKIDTZBI-STQMWFEESA-N
DB04342,,7-((Carboxy(4-Hydroxyphenyl)Acetyl)Amino)-7-Methoxy-(3-((1-Methyl-1h-Tetrazol-5-Yl)Thio)Methyl)-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid,experimental,,,,,,MXL,,ZINC000003831157,CHEMBL519374,,,94604,5488645,CO[C@]1(NC(=O)[C@H](C(O)=O)C2=CC=C(O)C=C2)[C@H]2OCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O,"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18-,20+/m1/s1",JWCSIUVGFCSJCK-LIUKBUMOSA-N
DB04343,298-12-4,Glyoxylic acid,experimental,,,,,,GLV,,ZINC000004658554,CHEMBL1162545,19472,,16891,760,OC(=O)C=O,"InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)",HHLFWLYXYJOTON-UHFFFAOYSA-N
DB04345,1086-80-2,Lumichrome,experimental,,,,,,LUM,,ZINC000012446789,CHEMBL1234101,,,17781,5326566,CC1=CC2=NC3=C(N=C2C=C1C)C(=O)NC(=O)N3,"InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)",ZJTJUVIJVLLGSP-UHFFFAOYSA-N
DB04346,,"(2r,4s)-2-Methyl-2,3,3,4-Tetrahydroxytetrahydrofuran",experimental,,,,,,PAV,,,CHEMBL1235140,,,44800,448719,[H][C@]1(O)CO[C@@](C)(O)C1(O)O,"InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1",BVIYGXUQVXBHQS-IUYQGCFVSA-N
DB04347,,3-Dehydroshikimate,experimental,,,,,,3DS,,ZINC000100018238,,,,30918,439774,O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O,"InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1",SLWWJZMPHJJOPH-PHDIDXHHSA-N
DB04348,81-24-3,Taurocholic acid,"['experimental', 'approved']",,,,,,TCH,,ZINC000008214684,CHEMBL224867,50375594,,28865,6675,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1",WBWWGRHZICKQGZ-HZAMXZRMSA-N
DB04349,4254-15-3,"(S)-propane-1,2-diol",experimental,,,,1663407,,PGO,,ZINC000000895316,,,,29002,439846,C[C@H](O)CO,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1",DNIAPMSPPWPWGF-VKHMYHEASA-N
DB04350,289665-92-5,Argadin,experimental,,,,,,,,ZINC000024693311,CHEMBL445236,10854,,,449123,CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CC2=CNC=N2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O,"InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1",FOZYKTUSOWWQGR-KNPYFFGGSA-N
DB04351,,Aconitate Ion,experimental,,,,,,TRA,,,,,,16383,5459816,[O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1-",GTZCVFVGUGFEME-IWQZZHSRSA-K
DB04352,34980-66-0,beta-D-Ribose-5-phosphate,experimental,,,,,,RP5,,ZINC000004228241,CHEMBL1235722,,,45425,447634,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1",KTVPXOYAKDPRHY-TXICZTDVSA-N
DB04353,,"Tert-butyl N-[(2S,5R)-6-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]carbamate",experimental,,,,,,Q50,,,,,,,5289241,[H]N([H])C(=O)CC[C@H](N([H])C(=O)[C@H](CC(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)OC(C)(C)C)CC1=CC=CC=C1)C(=O)N([H])[C@@H](CC1=CC=CC=C1)C(=O)N([H])[H],"InChI=1S/C38H47N5O7/c1-38(2,3)50-37(49)43-30(22-26-15-9-5-10-16-26)32(44)24-28(21-25-13-7-4-8-14-25)35(47)41-29(19-20-33(39)45)36(48)42-31(34(40)46)23-27-17-11-6-12-18-27/h4-18,28-31H,19-24H2,1-3H3,(H2,39,45)(H2,40,46)(H,41,47)(H,42,48)(H,43,49)/t28-,29-,30-,31-/m0/s1",DDOOHEYBNHOFCV-ORYMTKCHSA-N
DB04356,65996-58-9,9-Deazaguanine,experimental,,,,,,9DG,,ZINC000100004977,CHEMBL367746,50108005,,,135461003,NC1=NC2=C(NC=C2)C(=O)N1,"InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)",FFYPRJYSJODFFD-UHFFFAOYSA-N
DB04357,,Pteric acid,experimental,,,,,,APT,,,,,,40856,135497492,NC1=[NH+]C2=C(N=C(CNC3=CC=C(C=C3)C(O)=O)C=N2)C(O)=N1,"InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)/p+1",JOAQINSXLLMRCV-UHFFFAOYSA-O
DB04359,1184-84-5,Vinylsulfonic acid,experimental,,,,,,VSO,,ZINC000004216798,CHEMBL1236690,,,,62474,OS(=O)(=O)C=C,"InChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)",NLVXSWCKKBEXTG-UHFFFAOYSA-N
DB04360,,Benzo[B]Thiophene-2-Boronic Acid,experimental,,,,,,BZB,,ZINC000169743221,CHEMBL34964,26139,,,2359,OB(O)C1=CC2=C(S1)C=CC=C2,"InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H",YNCYPMUJDDXIRH-UHFFFAOYSA-N
DB04361,26981-93-1,Methyldiazene,experimental,,,,,,HDN,,,,,,,,[H]N=NC,"InChI=1S/CH4N2/c1-3-2/h2H,1H3/b3-2+",JYXPWUYLZPYOAH-NSCUHMNNSA-N
DB04362,,Adenosine Diphosphate 5-(Beta-Ethyl)-4-Methyl-Thiazole-2-Carboxylic Acid,experimental,,,,,,AHZ,,,,,,139151,5287651,[H][C@]1(COP([O-])(=O)OP([O-])(=O)OCCC2=C(C)N=C(S2)C([O-])=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/p-3/t8-,11-,12-,16-/m1/s1",VGXBGQACJQRWLV-LKGUXBDMSA-K
DB04363,,Mesobiliverdin IV alpha,experimental,,,,,,MBV,,ZINC000103549499,,,,,,[H]N1C(=O)C(C)=C(CC)\C1=C\C1=N\C(=C/C2=C(C)C(CCC(O)=O)=C(\C=C3/N([H])C(=O)C(C)=C3CC)N2[H])\C(C)=C1CCC(O)=O,"InChI=1S/C33H38N4O6/c1-7-20-18(5)32(42)36-26(20)14-28-22(9-11-30(38)39)16(3)24(34-28)13-25-17(4)23(10-12-31(40)41)29(35-25)15-27-21(8-2)19(6)33(43)37-27/h13-15,34H,7-12H2,1-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b25-13-,26-14-,27-15-",OJKQMHYPQBCGFM-BMHFDQIVSA-N
DB04364,,(R)-acetoin,experimental,,,,,,HBR,,ZINC000000895240,,,,15686,439314,C[C@@H](O)C(C)=O,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1",ROWKJAVDOGWPAT-GSVOUGTGSA-N
DB04365,63-75-2,Arecoline,experimental,,,,,,,,ZINC000052541469,CHEMBL7303,46858,,2814,2230,COC(=O)C1=CCCN(C)C1,"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3",HJJPJSXJAXAIPN-UHFFFAOYSA-N
DB04366,,3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate,experimental,,,,,,3AN,,ZINC000031976738,,,,,446090,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])N,"InChI=1S/C10H16N6O9P2/c11-5-4(1-23-27(21,22)25-26(18,19)20)24-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1",VKODIDNZKBYXJO-QYYRPYCUSA-N
DB04367,125118-55-0,Debromohymenialdisine,experimental,,,,,,DBQ,,ZINC000017836932,CHEMBL255465,,,,135451156,NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=CN2,"InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6-",JYRJOQGKGMHTOO-VURMDHGXSA-N
DB04368,235784-88-0,Bb-3497,experimental,,,,,,BB1,,,CHEMBL431210,50104501,,,159596,[H][C@@](CCCC)(CN(O)C=O)C(=O)N[C@]([H])(C(=O)N(C)C)C(C)(C)C,"InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1",AVDLWYHBABSSHC-CHWSQXEVSA-N
DB04369,,"1,3,2-Dioxaborolan-2-Ol",experimental,,,,,,SBE,,,,,,,5289333,OB1OCCO1,"InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2",ZBEDLGKSWBORBS-UHFFFAOYSA-N
DB04370,1637-71-4,S-sulphocysteine,experimental,,,,,,CSU,,ZINC000003995568,CHEMBL457665,50269414,,27891,115015,N[C@@H](CSS(O)(=O)=O)C(O)=O,"InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",NOKPBJYHPHHWAN-REOHCLBHSA-N
DB04371,,AL6528,experimental,,,,,,AL6,,ZINC000003870752,,11938,,,1514,COC1=CC(=CC=C1)N1C=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,"InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)",FBBLOSCXOZYUSS-UHFFFAOYSA-N
DB04372,998-06-1,L-Dilinoleoyllecithin,experimental,,,,,,DLP,,,,,,42027,5288075,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1",FVXDQWZBHIXIEJ-LNDKUQBDSA-N
DB04373,,"4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide",experimental,,,,,,R36,,ZINC000015658067,,,,,446912,CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=CC(N)=C1,"InChI=1S/C32H41N3O4/c1-21(2)16-27(34-32(38)25-14-9-15-26(33)18-25)19-29(36)28(17-24-12-6-5-7-13-24)35-30(37)20-39-31-22(3)10-8-11-23(31)4/h5-15,18,21,27-29,36H,16-17,19-20,33H2,1-4H3,(H,34,38)(H,35,37)/t27-,28-,29-/m0/s1",WQUBEIMCFHCJCO-AWCRTANDSA-N
DB04374,,"4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole",experimental,,,,,,HST,,,,,,,444302,CCCCCC(CCCCC)SC1=C(N=NN1)C(O)=O,"InChI=1S/C14H25N3O2S/c1-3-5-7-9-11(10-8-6-4-2)20-13-12(14(18)19)15-17-16-13/h11H,3-10H2,1-2H3,(H,18,19)(H,15,16,17)",GROSWUGUHPUYIU-UHFFFAOYSA-N
DB04376,,13-Acetylphorbol,experimental,,,,,,PRB,,ZINC000013521034,CHEMBL1235429,,,45127,499953,[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(O)[C@@]1(OC(C)=O)C2(C)C,"InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1",SDSVJYOOAPRSDA-RPCQODIISA-N
DB04377,503-49-1,Meglutol,experimental,,C10AX05,D04897,,,MAH,1670,ZINC000000001669,CHEMBL50444,50160720,,16831,1662,CC(O)(CC(O)=O)CC(O)=O,"InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)",NPOAOTPXWNWTSH-UHFFFAOYSA-N
DB04378,,"3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide",experimental,,,,,,R37,,ZINC000015658343,,,,,446917,CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=C(N)C=C1,"InChI=1S/C32H41N3O4/c1-21(2)17-27(34-32(38)25-13-15-26(33)16-14-25)19-29(36)28(18-24-11-6-5-7-12-24)35-30(37)20-39-31-22(3)9-8-10-23(31)4/h5-16,21,27-29,36H,17-20,33H2,1-4H3,(H,34,38)(H,35,37)/t27-,28-,29-/m0/s1",APJAEXGNDLFGPD-AWCRTANDSA-N
DB04379,,N-Methyl-N-(Methylbenzyl)Formamide,experimental,,,,,,,,,,,,,444567,[H][C@@](C)(N(C)C=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-9(11(2)8-12)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1",YYPINKULTUCCJA-VIFPVBQESA-N
DB04380,,Allantoate,experimental,,,,,,1AL,,,,,,17536,5287444,NC(=O)NC(NC(N)=O)C([O-])=O,"InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1",NUCLJNSWZCHRKL-UHFFFAOYSA-M
DB04381,123-73-9,Crotonaldehyde,experimental,,,,,,CRD,,ZINC000001686876,CHEMBL1086445,50318489,,41607,447466,[H]C(=O)\C=C\C,"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+",MLUCVPSAIODCQM-NSCUHMNNSA-N
DB04382,14215-77-1,2-Deoxy-alpha-D-galactopyranose,experimental,,,,,,2DG,,ZINC000003860326,,,,,446586,OC[C@H]1O[C@H](O)C[C@@H](O)[C@H]1O,"InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1",PMMURAAUARKVCB-ARQDHWQXSA-N
DB04383,2026-48-4,L-valinol,experimental,,,,,,VOL,,ZINC000000392015,,18160,,,640993,CC(C)[C@H](N)CO,"InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1",NWYYWIJOWOLJNR-RXMQYKEDSA-N
DB04384,,Fe-Mesopone,experimental,,,,,,HIF,,,,,,,21945381,CCC1=C2C=C3N4C(=CC5=C(C)C(CCC(O)=O)=C6C=C7N8C(=CC(N2[Fe]48N56)=C1C)C(C)=C7CCC(O)=O)C(=O)C3(C)CC,"InChI=1S/C34H39N4O5.Fe/c1-7-20-17(3)23-13-24-18(4)21(9-11-31(39)40)26(35-24)15-27-22(10-12-32(41)42)19(5)25(36-27)14-29-33(43)34(6,8-2)30(38-29)16-28(20)37-23;/h13-16H,7-12H2,1-6H3,(H5-,35,36,37,38,39,40,41,42,43);/q-1;+4/p-3",RPYIPNWUMWMZRW-UHFFFAOYSA-K
DB04385,,3-Deazacytidine,experimental,,,,,,CTD,,ZINC000006091564,CHEMBL1231969,,,,97577,[H][C@]1(CO)O[C@@]([H])(N2C=CC(N)=CC2=O)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1",OGADSZTVCUXSOK-PEBGCTIMSA-N
DB04386,,"4,6-O-(1-Carboxyethylidene)-Beta-D-Glucose",experimental,,,,,,8VR,,ZINC000053683520,,,,61745,46936963,C[C@]1(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O1)C(O)=O,"InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6+,7-,9-/m1/s1",QVVFNJUJKXWFAU-CECBSOHTSA-N
DB04387,,1-Hydroxy-2-Amino-3-Cyclohexylpropane,experimental,,,,,,,,ZINC000000154757,CHEMBL1231778,50367060,,,444569,N[C@H](CO)CC1CCCCC1,"InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1",QWDRYURVUDZKSG-VIFPVBQESA-N
DB04388,,4-Carboxy-4-Aminobutanal,experimental,,,,,,CAB,,ZINC000001532877,,,,58066,49791979,N[C@@H](CCC=O)C(O)=O,"InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1",KABXUUFDPUOJMW-BYPYZUCNSA-N
DB04389,,Ado-P-Ch2-P-Ps-Ado,experimental,,,,,,IB2,,,,,,,,[H][C@]1(COP(O)(=O)CP(O)(=O)O[P@](O)(=S)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C21H29N10O14P3S/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(43-20)1-41-46(36,37)7-47(38,39)45-48(40,49)42-2-9-13(33)15(35)21(44-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H,40,49)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-,48-/m1/s1",UJCWOSLCGXVJOD-LCHUORCTSA-N
DB04391,,Aeruginosin 98-B,experimental,,,,,,,,ZINC000024420133,,,,,444346,[H]N([H])C(=NCCCCN([H])C(=O)[C@@H]1C[C@]2([H])CC[C@H](C[C@]2([H])N1C(=O)[C@H](N([H])C(=O)[C@H](O)CC1=CC=C(O)C=C1)[C@H](C)CC)OS(O)(=O)=O)N([H])[H],"InChI=1S/C29H46N6O9S/c1-3-17(2)25(34-27(39)24(37)14-18-6-9-20(36)10-7-18)28(40)35-22-16-21(44-45(41,42)43)11-8-19(22)15-23(35)26(38)32-12-4-5-13-33-29(30)31/h6-7,9-10,17,19,21-25,36-37H,3-5,8,11-16H2,1-2H3,(H,32,38)(H,34,39)(H4,30,31,33)(H,41,42,43)/t17-,19+,21-,22+,23+,24-,25-/m1/s1",WZVRXEOKWMIDDV-HTKJFTDNSA-N
DB04392,,"Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone]",experimental,,,,,,DTC,,ZINC000012504328,,,,,17753965,[H][C@@]1(C[C@@]2([H])C(=O)OC3=C(C=CC=C3)C2=O)C(=O)OC2=CC=CC=C2C1=O,"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12-13H,9H2/t12-,13+",HIZKPJUTKKJDGA-BETUJISGSA-N
DB04393,3380-30-1,Soneclosan,experimental,,,,,,DCN,,ZINC000002027016,CHEMBL1232142,,,,18807,OC1=C(OC2=CC=C(Cl)C=C2)C=CC(Cl)=C1,"InChI=1S/C12H8Cl2O2/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H",BYNQFCJOHGOKSS-UHFFFAOYSA-N
DB04394,,3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide,experimental,,,,,,SG1,,ZINC000004016411,CHEMBL121291,13073,,,3092847,NS(=O)(=O)C1=CC=C(N2CCCC2=O)C(=C1)[N+]([O-])=O,"InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18)",FPCPYSKJIRSWIG-UHFFFAOYSA-N
DB04395,,Phosphoaminophosphonic Acid-Adenylate Ester,experimental,,,,,,A0P,,ZINC000053683526,,,,,44462678,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O,"InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7+,10+/m0/s1",PVKSNHVPLWYQGJ-FCIPNVEPSA-N
DB04396,51555-87-4,Thiodigalactoside,experimental,,,,,,,,ZINC000013531965,CHEMBL52011,50077225,,,119138,[H][C@]1(CO)O[C@@]([H])(S[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1",SYKYBMOFPMXDRQ-ZFDCCPEWSA-N
DB04397,,Alpha-D-Glucose-1-Phosphate-6-Vanadate,experimental,,,,,,VG1,,,,,,,,O[C@@H]1[C@@H](O)[C@H](CO[V](O)(=O)=O)O[C@H](OP(O)(O)=O)[C@H]1O,"InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6+;;;;/m0..../s1",SYRDAPWACIANBN-DPXSRCRQSA-M
DB04398,50-21-5,Lactic acid,"['vet_approved', 'approved']",,G01AD01,D00111,1314409,,,1533,,CHEMBL1200559,,DL-LACTIC ACID,78320,612,CC(O)C(O)=O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)",JVTAAEKCZFNVCJ-UHFFFAOYSA-N
DB04400,6779-87-9,"L-erythro-7,8-dihydrobiopterin",experimental,,,,,,HBI,,ZINC000018181336,,,,43029,135398687,C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1",FEMXZDUTFRTWPE-DZSWIPIPSA-N
DB04401,7418-61-3,Betaine aldehyde,experimental,,,,,,BTL,,ZINC000100015771,CHEMBL1231491,,,15710,249,C[N+](C)(C)CC=O,"InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1",SXKNCCSPZDCRFD-UHFFFAOYSA-N
DB04404,,Allosamizoline,experimental,,,,,,AMI,,ZINC000033821203,CHEMBL1230969,169467,,,5287673,[H][C@]1(O)[C@]([H])(O)[C@@]2([H])N=C(O[C@@]2([H])[C@]1([H])CO)N(C)C,"InChI=1S/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1",MKJAYSJDHSEFRI-PVFLNQBWSA-N
DB04405,,"2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid",experimental,,,,,,DEO,,ZINC000000602705,,,,,448384,[H][C@](CCN1C(=O)C2=CC=CC=C2C1=O)(CC(=O)C1=CC=C(C=C1)C1=CC=C(OCC)C=C1)C(O)=O,"InChI=1S/C28H25NO6/c1-2-35-22-13-11-19(12-14-22)18-7-9-20(10-8-18)25(30)17-21(28(33)34)15-16-29-26(31)23-5-3-4-6-24(23)27(29)32/h3-14,21H,2,15-17H2,1H3,(H,33,34)/t21-/m0/s1",AQYSXARQCHHHLK-NRFANRHFSA-N
DB04406,,3-(Phosphonomethyl)Pyridine-2-Carboxylic Acid,experimental,,,,,,PMC,,,CHEMBL354773,,,,1629,OC(=O)C1=NC=CC=C1CP(O)(O)=O,"InChI=1S/C7H8NO5P/c9-7(10)6-5(2-1-3-8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13)",ROSWJUKEABEPFJ-UHFFFAOYSA-N
DB04407,,4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol,experimental,,,,,,CK6,,ZINC000002047390,CHEMBL47590,8054,,,447960,CNC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(O)C=C2)=N1,"InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)",OTMLAWRVLMYMDF-UHFFFAOYSA-N
DB04408,81604-85-5,Ncs-Chromophore,experimental,,,,,,CHR,,ZINC000256319225,,,,29655,447545,[H]\C1=C2\C(=C[C@@]([H])(OC(=O)C3=C(O)C=CC4=C3C=C(OC)C=C4C)[C@]2([H])O[C@@]2([H])O[C@]([H])(C)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])NC)C#C[C@@]2(O[C@]2([H])C#C1)[C@@]1([H])COC(=O)O1,"InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1",QZGIWPZCWHMVQL-UIYAJPBUSA-N
DB04409,,Naphthalene Trisulfonate,experimental,,,,,,NTS,,,,50103242,,44434,4437,[O-]S(=O)(=O)C1=CC2=C(C=C1)C(=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3",ZPBSAMLXSQCSOX-UHFFFAOYSA-K
DB04410,2038-57-5,3-Phenylpropylamine,experimental,,,,,,PRA,,ZINC000001561633,CHEMBL276864,50113826,,45017,16259,NCCCC1=CC=CC=C1,"InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2",LYUQWQRTDLVQGA-UHFFFAOYSA-N
DB04411,,Alpha-N-Dichloroacetyl-P-Aminophenylserinol,experimental,,,,,,CLK,,ZINC000002525836,,,,47325,445896,[H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(N)C=C1,"InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1",BFLNGKUCFYKCFZ-RKDXNWHRSA-N
DB04414,,Heptamolybdate,experimental,,,,,,MO7,,,,,,,131704280,O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo],InChI=1S/7Mo.24H2O/h;;;;;;;24*1H2/p-6,PJSKUNJZAAFMGT-UHFFFAOYSA-H
DB04415,,3-Amino-1-Chloro-4-Phenyl-Butanol-2-Yl,experimental,,,,,,PHK,,ZINC000012504342,,,,,5289149,N[C@@H](CC1=CC=CC=C1)[C@@H](O)CCl,"InChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10-/m0/s1",YXWOYBQZWSLSMU-UWVGGRQHSA-N
DB04416,,"R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid",experimental,,,,,,MBS,,ZINC000003581255,,,,,446165,[H][C@](CC#CCOC)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC)C=C1)C(O)=O,"InChI=1S/C20H21NO6S/c1-26-14-4-3-5-19(20(22)23)21-28(24,25)18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-13,19,21H,5,14H2,1-2H3,(H,22,23)/t19-/m1/s1",QJKGJGURDPRKGW-LJQANCHMSA-N
DB04417,100-02-7,P-Nitrophenol,experimental,,,,,,NPO,,ZINC000034828682,CHEMBL14130,31678,,16836,980,OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H",BTJIUGUIPKRLHP-UHFFFAOYSA-N
DB04418,19046-78-7,Adenylosuccinic acid,experimental,,,,,,2SA,,ZINC000004096207,,,,,447145,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12,"InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1",OFBHPPMPBOJXRT-VWJPMABRSA-N
DB04419,327-56-0,D-norleucine,experimental,,,,,,DNE,,ZINC000002034415,,,,143080,6999776,CCCC[C@@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1",LRQKBLKVPFOOQJ-RXMQYKEDSA-N
DB04421,,Nicotinamide adenine dinucleotide 3-pentanone adduct,experimental,,,,,,NAQ,,,,,,,131704281,CCC(=O)[C@@H](C)C1=C(C=[N+](C=C1)[C@@H]1O[C@H](COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O)C(N)=O,"InChI=1S/C26H35N7O15P2/c1-3-14(34)11(2)12-4-5-32(6-13(12)23(28)39)25-20(37)18(35)15(46-25)7-44-49(40,41)48-50(42,43)45-8-16-19(36)21(38)26(47-16)33-10-31-17-22(27)29-9-30-24(17)33/h4-6,9-11,15-16,18-21,25-26,35-38H,3,7-8H2,1-2H3,(H5-,27,28,29,30,39,40,41,42,43)/t11-,15+,16+,18+,19+,20+,21+,25+,26+/m0/s1",BZJFKYRGSZWSLT-YLIVDTKOSA-N
DB04422,6027-13-0,Homocysteine,experimental,,,,,,HCS,,ZINC000000895077,CHEMBL469662,50242405,,58199,6971015,N[C@@H](CCS)C(O)=O,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",FFFHZYDWPBMWHY-VKHMYHEASA-N
DB04423,,Coproporphyrin I containing CO(III),experimental,,,,,,PC3,,,,,,,,CC1=C(CCC(O)=O)C2=CC3=C(C)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(C)C(CCC(O)=O)=C8C=C1N2[Co]6(N78)N34)C(CCC(O)=O)=C5C,"InChI=1S/C36H36N4O8.Co/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);/q-4;+4/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-;",YMJSUHOSFAHJRH-MXOXSBADSA-N
DB04424,,RPR128515,experimental,,,,,,RPR,,ZINC000003815583,CHEMBL48046,12597,,,5497056,COC(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=CC(CN)=C1,"InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1",XFKVLKLCLYJKNF-MZNJEOGPSA-N
DB04425,,"7,8-Dihydroneopterin",experimental,,,,,,NPR,,ZINC000004096578,,,,17001,135398602,NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)CO)C(=O)N1,"InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1",YQIFAMYNGGOTFB-XINAWCOVSA-N
DB04426,,Alpha-Methyl-N-Acetyl-D-Glucosamine,experimental,,,,,,MAG,,ZINC000005234411,,,,,445750,[H][C@]1(CO)O[C@@]([H])(OC)[C@]([H])(NC(C)=O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1",ZEVOCXOZYFLVKN-JGKVKWKGSA-N
DB04427,,4-Methyl-N-[(2S)-1-oxo-3-phenyl-1-[[(3S)-1-phenyl-5-(phenylmethoxysulfamoyl)pentan-3-yl]amino]propan-2-yl]piperazine-1-carboxamide,experimental,,,,,,VS4,,ZINC000014881206,,,,,5289562,[H]N(OCC1=CC=CC=C1)S(=O)(=O)CC[C@H](CCC1=CC=CC=C1)N([H])C(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)N1CCN(C)CC1,"InChI=1S/C33H43N5O5S/c1-37-20-22-38(23-21-37)33(40)35-31(25-28-13-7-3-8-14-28)32(39)34-30(18-17-27-11-5-2-6-12-27)19-24-44(41,42)36-43-26-29-15-9-4-10-16-29/h2-16,30-31,36H,17-26H2,1H3,(H,34,39)(H,35,40)/t30-,31-/m0/s1",PPIYQXGSPPWVLJ-CONSDPRKSA-N
DB04429,,4'-Hydroxyflavanone,experimental,,,,,,DFL,,ZINC000000057922,,,,41965,688859,OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC=CC=C2O1,"InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2/t15-/m0/s1",ZLHVIYHWWQYJID-HNNXBMFYSA-N
DB04430,,3-(4-Phenylamino-Phenylamino)-2-(1h-Tetrazol-5-Yl)-Acrylonitrile,experimental,,,,,,FTA,,ZINC000005939104,,,,,5288260,N#C\C(=C\NC1=CC=C(NC2=CC=CC=C2)C=C1)C1=NNN=N1,"InChI=1S/C16H13N7/c17-10-12(16-20-22-23-21-16)11-18-13-6-8-15(9-7-13)19-14-4-2-1-3-5-14/h1-9,11,18-19H,(H,20,21,22,23)/b12-11-",FLPLCJJGNZGOAW-QXMHVHEDSA-N
DB04431,,4-epi-vancosaminyl derivative of vancomycin,experimental,,,,,,,,,,,,,445805,[H]N([H])C(=O)C[C@@H]1N([H])C(=O)[C@H](N([H])C(=O)[C@@H](CC(C)C)[N+]([H])([H])C)[C@H](O)C2=CC(Cl)=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@@](C)([C@@H](O)[C@H](C)O4)[N+]([H])([H])[H])C4=CC(=C3)[C@@]([H])(N([H])C1=O)C(=O)N([H])[C@]1([H])C3=CC(=C(O)C=C3)C3=C(C=C(O)C=C3O)[C@H](N([H])C(=O)[C@@]([H])(N([H])C1=O)[C@H](O[C@H]1C[C@@](C)([C@@H](O)[C@H](C)O1)[N+]([H])([H])[H])C1=CC(Cl)=C(O4)C=C1)C(O)=O)C=C2,"InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/p+3/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1",XJHXLMVKYIVZTE-LOALFDMRSA-Q
DB04432,,ZK-805623,experimental,,,,,,623,,,,,,,4470378,CC1=C(F)C(OC2=CC(=CC=C2)C(N)=N)=[NH+]C(OC2=CC=CC(=C2)C(N)=N)=C1F,"InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+1",ZXIHYCYAQUQHSG-UHFFFAOYSA-O
DB04433,,Verpacamide A,experimental,,,,,,ALJ,,ZINC000013584769,,,,,449095,[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC2=O,"InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1",ZRJHYOXNWCMGMW-YUMQZZPRSA-N
DB04434,,Naphthyridine Inhibitor,experimental,,,,,,460,,ZINC000012504353,,,,,5287512,CC1=CC=CC(=N1)C1=C(CNN1)C1=CC=C2N=CC=CC2=N1,"InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3",YRBHUKMLAGQYHS-UHFFFAOYSA-N
DB04436,7423-96-3,3-Fluoro-L-tyrosine,experimental,,,,,,YOF,,ZINC000000119457,CHEMBL1236909,,,46534,6926992,N[C@@H](CC1=CC(F)=C(O)C=C1)C(O)=O,"InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",VIIAUOZUUGXERI-ZETCQYMHSA-N
DB04437,,"Cysteine-Methylene-Carbamoyl-1,10-Phenanthroline",experimental,,,,,,NPH,,ZINC000006079992,,,,,17754108,N[C@@H](CSCC(=O)NC1=CC2=C(N=CC=C2)C2=C1C=CC=N2)C(O)=O,"InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1",ZFGIPRHDRFOMFO-LBPRGKRZSA-N
DB04438,80860-82-8,Brivudine monophosphate,experimental,,,,,,BVP,,,CHEMBL1231519,,,,6505368,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(\C=C\Br)C(=O)NC1=O,"InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1",LKWCVKAHHUJPQO-PIXDULNESA-N
DB04439,,Modified Acarbose Pentasaccharide,experimental,,,,,,ACG,,ZINC000263620958,,,,,447014,[H][C@]1(C)O[C@]([H])(O[C@]2([H])C(CO)=C[C@]([H])(N[C@]3([H])[C@@]([H])(C)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C31H53NO22/c1-7-13(32-10-3-9(4-33)25(18(40)15(10)37)52-30-23(45)17(39)14(36)8(2)49-30)16(38)22(44)29(48-7)53-27-12(6-35)51-31(24(46)20(27)42)54-26-11(5-34)50-28(47)21(43)19(26)41/h3,7-8,10-47H,4-6H2,1-2H3/t7-,8-,10+,11-,12-,13-,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1",QWNATFSCUHKKDP-WYKVUHPSSA-N
DB04440,550-33-4,Nebularine,experimental,,,,,,PUR,,ZINC000003814314,CHEMBL1399702,50335291,,18255,68368,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1",MRWXACSTFXYYMV-FDDDBJFASA-N
DB04441,146-78-1,2-Fluoroadenosine,experimental,,,,,,2FA,,ZINC000003875977,CHEMBL290077,50118807,,39740,8975,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=C(F)N=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1",HBUBKKRHXORPQB-UUOKFMHZSA-N
DB04442,,"Imino[2-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-benzimidazol-5-yl]methanaminium",experimental,,,,,,120,,,,13944,,,1509,NC(=[NH2+])C1=CC2=C(NC(=N2)C2=CC=CNC2=O)C=C1,"InChI=1S/C13H11N5O/c14-11(15)7-3-4-9-10(6-7)18-12(17-9)8-2-1-5-16-13(8)19/h1-6H,(H3,14,15)(H,16,19)(H,17,18)/p+1",PUOKYJMONGPAIM-UHFFFAOYSA-O
DB04444,21340-02-3,Tetrafluoroaluminate Ion,experimental,,,,,,ALF,,,,,,30111,5311325,F[Al](F)(F)[F-],InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4,UYOMQIYKOOHAMK-UHFFFAOYSA-J
DB04445,7774-29-0,Mercuric iodide,experimental,,D08AK30,,1426941,,HGI,4789,,,,,49659,181518,I[Hg]I,InChI=1S/Hg.2HI/h;2*1H/q+2;;/p-2,YFDLHELOZYVNJE-UHFFFAOYSA-L
DB04446,,Benzo[B]Thiophene-2-Carboxamidine,experimental,,,,,,ESX,,,,14170,,,444753,NC(=[NH2+])C1=CC2=C(S1)C=CC=C2,"InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1",JZWDLUGQTRKBNA-UHFFFAOYSA-O
DB04447,3483-12-3,"1,4-Dithiothreitol",experimental,,,,,,DTT,,ZINC000000895149,CHEMBL406270,,,42106,439196,O[C@@H](CS)[C@@H](O)CS,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1",VHJLVAABSRFDPM-IMJSIDKUSA-N
DB04448,,"2,4-Difluorobenzyl Alcohol 2,4-Difluoro-1-(Hydroxymethyl)Benzene",experimental,,,,,,24B,,ZINC000000409278,,,,,91867,OCC1=CC=C(F)C=C1F,"InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2",NIJZBWHOHNWJBX-UHFFFAOYSA-N
DB04449,,"5-(3,3-Dihydroxypropeny)-3-Methoxy-Benzene-1,2-Diol",experimental,,,,,,HFL,,ZINC000008206678,,,,,5288545,COC1=CC(\C=C\C(O)O)=CC(O)=C1O,"InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+",QQVLKPZAOPJJCB-NSCUHMNNSA-N
DB04450,,Heptyl 1-Thiohexopyranoside,experimental,,,,,,HTG,,ZINC000016052385,,,,,656917,[H][C@]1(CO)O[C@@]([H])(SCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1",HPEGNLMTTNTJSP-LBELIVKGSA-N
DB04451,,4-Methylpiperazin-1-Yl Carbonyl Group,experimental,,,,,,ODS,,,,,,,6453585,CN1CCN(CC1)C(O)=O,"InChI=1S/C6H12N2O2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)",KNWWGBNAUNTSRV-UHFFFAOYSA-N
DB04452,3811-56-1,Aminoquinuride,experimental,,,,17747,,NSC,174,ZINC000022910880,CHEMBL87223,50444748,,,71166,CC1=NC2=CC=C(NC(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N)C=C2C(N)=C1,"InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)",HOUSDILKOJMENG-UHFFFAOYSA-N
DB04453,,"4-O-(4,6-Dideoxy-4-{[4-[(4-O-Hexopyranosylhexopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}Hexopyranosyl)Hexopyranose",experimental,,,,,,ARE,,ZINC000263620623,,,,,4369394,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1",JUCZMZWYUIRMPL-NPPSNIQKSA-N
DB04454,,Alpha-Aminobutyric Acid,experimental,,,,,,DBB,,ZINC000000901329,CHEMBL553426,,,28797,6971251,CC[C@@H](N)C(O)=O,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",QWCKQJZIFLGMSD-GSVOUGTGSA-N
DB04455,,"N,N,N-trimethylglycinium","['experimental', 'investigational']",,,,,,BET,,ZINC000001532728,CHEMBL95889,50357226,CYSTADANE,41139,248,C[N+](C)(C)CC(O)=O,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1",KWIUHFFTVRNATP-UHFFFAOYSA-O
DB04456,13464-58-9,Arsenous acid,"['experimental', 'investigational']",,,,,,TAS,,,CHEMBL1236189,,,49900,545,O[As](O)O,InChI=1S/AsH3O3/c2-1(3)4/h2-4H,GCPXMJHSNVMWNM-UHFFFAOYSA-N
DB04457,902-04-5,2'-Deoxyguanosine-5'-Monophosphate,experimental,,,,,,DGP,,ZINC000001730395,CHEMBL477487,,,16192,135398597,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1",LTFMZDNNPPEQNG-KVQBGUIXSA-N
DB04458,,"2,2-Dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide",experimental,,,,,,MS2,,,,,,,145994597,CC(NC(=O)[C@@]1([C@@H](C)C1(Cl)Cl)[S@](C)=O)C1=CC=C(Br)C=C1,"InChI=1S/C14H16BrCl2NO2S/c1-8(10-4-6-11(15)7-5-10)18-12(19)13(21(3)20)9(2)14(13,16)17/h4-9H,1-3H3,(H,18,19)/t8?,9-,13-,21+/m1/s1",VMASMYSTIDDLTO-GQIKNNMKSA-N
DB04459,,"3,4-Dichloroisocoumarin",experimental,,,,,,DIC,,ZINC000000388510,CHEMBL24983,50199883,,109540,1609,ClC1=C(Cl)C2=CC=CC=C2C(=O)O1,InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H,SUGXUUGGLDCZKB-UHFFFAOYSA-N
DB04460,,(C8-S)-Hydantocidin 5'-phosphate,experimental,,,,,,RPL,,ZINC000033821508,,,,,5289306,[H]N1C(=O)N(CCC[C@H](N(O)CO)C(O)=O)C(=O)[C@]11O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7+,8+,9+,13-/m0/s1",MAXSFYCTFIBEAR-FUIMDIGMSA-N
DB04461,2624-63-7,Coproporphyrinogen III,experimental,,,,,,CP3,,ZINC000004096059,CHEMBL1231891,,,15439,321,CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,"InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)",NIUVHXTXUXOFEB-UHFFFAOYSA-N
DB04462,,Tetrabromo-2-Benzotriazole,experimental,,,,,,TBS,,ZINC000003870968,CHEMBL177820,11323,,,1694,[H]N1N=C2C(=N1)C(Br)=C(Br)C(Br)=C2Br,"InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)",OMZYUVOATZSGJY-UHFFFAOYSA-N
DB04463,,"3-(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenol",experimental,,,,,,AB3,,ZINC000006744107,,,,,657095,CC(C)(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=CC(O)=C1,"InChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,21H,1-3H3,(H2,16,17,18)",CPLGZXQPPYRNRC-UHFFFAOYSA-N
DB04464,4289-98-9,N-Formylmethionine,experimental,,,,,,FME,,ZINC000001529464,,,,16552,439750,[H]C(=O)N[C@@H](CCSC)C(O)=O,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",PYUSHNKNPOHWEZ-YFKPBYRVSA-N
DB04465,63-42-3,Lactose,"['experimental', 'approved', 'investigational']",,,D00046,6211,PA450161,,1535,,CHEMBL1159651,,,17716,440995,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1",GUBGYTABKSRVRQ-QKKXKWKRSA-N
DB04466,126411-39-0,SR12813,experimental,,,,,,SRL,,ZINC000003799969,CHEMBL458767,50030477,,77317,446313,CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC,"InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3",YQLJDECYQDRSBI-UHFFFAOYSA-N
DB04467,,N-(5'-phosphopyridoxyl)-L-alanine,experimental,,,,,,PDA,,ZINC000002046812,,,,44770,444773,[H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,"InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1",WACJCHFWJNNBPR-ZETCQYMHSA-N
DB04468,68392-35-8,Afimoxifene,investigational,"['16120301', '17646931', '17203231', '17351746']",,D06551,,,OHT,,ZINC000000902197,CHEMBL489,20608,AFIMOXIFENE,44616,449459,CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-",TXUZVZSFRXZGTL-QPLCGJKRSA-N
DB04469,,"1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",experimental,,,,,,4DE,,ZINC000008729813,CHEMBL1230268,14794,,,656965,CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1,"InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3",ZDSXCFSUGVAQSB-UHFFFAOYSA-N
DB04470,,CRA_10656,experimental,,,,,,656,,ZINC000002047593,CHEMBL64676,50115857,,,447482,CC(C)COC1=CC=CC(C2=NC3=C(N2)C=CC(=C3)C(N)=[NH2+])=C1[O-],"InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)",HSHVHNIOQTZSOQ-UHFFFAOYSA-N
DB04471,,"2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol",experimental,,,,,,PTI,,ZINC000005934385,,,,,448915,OC1=CC=C2[C@H](N(CCC2=C1)C1=CC=CC=C1)C1=CC=C(OCCN2CCCCC2)C=C1,"InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2/t28-/m1/s1",FMWVCTJKLAVRPB-MUUNZHRXSA-N
DB04472,,(R)-1-Para-Nitro-Phenyl-2-Azido-Ethanol,experimental,,,,,,RPN,,,,,,,11481186,[H][C@](O)(CN=[N+]=[N-])C1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1",DHEGJYKMZJGYGW-QMMMGPOBSA-N
DB04473,6696-41-9,alpha-L-fucose,experimental,,,,,,FUC,,ZINC000001532814,,,,42548,439554,C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1",SHZGCJCMOBCMKK-SXUWKVJYSA-N
DB04474,82-76-8,8-anilinonaphthalene-1-sulfonic acid,experimental,,,,,,2AN,,ZINC000001532216,CHEMBL285527,60927,,39708,1369,OS(=O)(=O)C1=CC=CC2=CC=CC(NC3=CC=CC=C3)=C12,"InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)",FWEOQOXTVHGIFQ-UHFFFAOYSA-N
DB04476,,"Trencam-3,2-Hopo",experimental,,,,,,DB1,,,,,,,449146,NC(=O)C1=CC=CC(O)=C1O,"InChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11)",QCIDBNKTKNBPKM-UHFFFAOYSA-N
DB04477,,"2'-Deoxy-2'-[(3,5-dimethoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]adenosine",experimental,,,,,,TND,,ZINC000058638411,,,,,5289484,[H]N([C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N=CN=C12)N([H])[C@@H]1CCCC2=CC=CC=C12)C(=O)C1=CC(OC)=CC(OC)=C1,"InChI=1S/C29H32N6O6/c1-39-18-10-17(11-19(12-18)40-2)28(38)34-23-25(37)22(13-36)41-29(23)35-15-32-24-26(30-14-31-27(24)35)33-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-12,14-15,21-23,25,29,36-37H,5,7,9,13H2,1-2H3,(H,34,38)(H,30,31,33)/t21-,22-,23-,25-,29-/m1/s1",FDZQGEIYGFPMOB-ZUURFMEUSA-N
DB04478,,"Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine",experimental,,,,,,572,,,CHEMBL90488,50102723,,,132302,CN(C)S(=O)(=O)N1CCN(CC1)C1=CC=NC(CO)=N1,"InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3",XDTHNROWHAAVPJ-UHFFFAOYSA-N
DB04479,,4-Nitro-Inden-1-One,experimental,,,,,,NID,,ZINC000003871028,,,,,1750,[O-][N+](=O)C1=CC=CC2=C1C=CC2=O,InChI=1S/C9H5NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-5H,UUNZJPCKMDLQPO-UHFFFAOYSA-N
DB04480,,"3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole",experimental,,,,,,580,,ZINC000012504364,CHEMBL121790,50148669,,,5287525,CC1=NC(=CC=C1)C1=NN2CCCC2=C1C1=CC=C(F)C=C1,"InChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3",NBDZLUOYAAVYHF-UHFFFAOYSA-N
DB04481,149-32-6,Erythritol,experimental,,,,,,MRY,,ZINC000017971067,CHEMBL349605,,,17113,222285,OC[C@H](O)[C@H](O)CO,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+",UNXHWFMMPAWVPI-ZXZARUISSA-N
DB04482,,Cmp-2-Keto-3-Deoxy-Octulosonic Acid,experimental,,,,,,CMK,,ZINC000030725157,,,,86284,445888,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)O[C@]2(C[C@@H](O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1",YWWJKULNWGRYAS-UOVSKDHASA-N
DB04483,55449-80-4,2-deoxy-2-fluoro-β-D-mannose,experimental,,,,,,MAF,,ZINC000004544633,CHEMBL1234222,,,49152,445913,OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O,"InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1",ZCXUVYAZINUVJD-AIECOIEWSA-N
DB04484,3182-95-4,L-phenylalaninol,experimental,,,,,,PHL,,ZINC000006731693,CHEMBL1235287,50367058,,45086,447213,N[C@H](CO)CC1=CC=CC=C1,"InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1",STVVMTBJNDTZBF-VIFPVBQESA-N
DB04485,50-89-5,Thymidine,"['experimental', 'investigational']",,,,1372538,,THM,,ZINC000000025672,CHEMBL52609,1,THYMIDINE,17748,5789,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1",IQFYYKKMVGJFEH-XLPZGREQSA-N
DB04486,,"(2s)-2,8-Diaminooctanoic Acid",experimental,,,,,,HHK,,ZINC000012504366,,,,,46936985,NCCCCCC[C@H](N)C(O)=O,"InChI=1S/C8H18N2O2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,9-10H2,(H,11,12)/t7-/m0/s1",KMPBBRFCAYFTMR-ZETCQYMHSA-N
DB04487,31321-74-1,N-Methylleucine,experimental,,,,,,MLU,,ZINC000000403026,,,,,6951122,CN[C@H](CC(C)C)C(O)=O,"InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1",XJODGRWDFZVTKW-ZCFIWIBFSA-N
DB04488,,"(6S)-N-[(2S,3R,6R,7R)-3-(Acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-6-[(2-aminoacetyl)amino]-7-hydroxy-7-oxoheptanimidate",experimental,,,,,,H2A,,,,,,,131704283,[H][C@]12SC[C@@H](COC(C)=O)[C@H](N1C(=O)[C@H]2\N=C(/[O-])CCCC[C@H](NC(=O)CN)C(O)=O)C(O)=O,"InChI=1S/C19H28N4O9S/c1-9(24)32-7-10-8-33-17-14(16(27)23(17)15(10)19(30)31)22-12(25)5-3-2-4-11(18(28)29)21-13(26)6-20/h10-11,14-15,17H,2-8,20H2,1H3,(H,21,26)(H,22,25)(H,28,29)(H,30,31)/p-1/t10-,11+,14-,15+,17-/m1/s1",JDAREAJBQYNCGO-UPMYTKPLSA-M
DB04489,77482-44-1,Guanidinoethylmercaptosuccinic acid,experimental,,,,,,GEM,,ZINC000002384679,,,,,446018,[H]N([H])C(=NCCS[C@@H](CC(O)=O)C(O)=O)N([H])[H],"InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1",VKVCLXDFOQQABP-BYPYZUCNSA-N
DB04490,,3-(Mercaptomethylene)Pyridine,experimental,,,,,,,,ZINC000003631637,,,,,205225,SCC1=CC=CN=C1,"InChI=1S/C6H7NS/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",MBXKCLHOVPXMCJ-UHFFFAOYSA-N
DB04491,,Diisopropylphosphono Group,experimental,,,,,,DFP,,ZINC000100018862,,,,,3072,CC(C)OP(=O)OC(C)C,"InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3",BLKXLEPPVDUHBY-UHFFFAOYSA-N
DB04492,,2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose,experimental,,,,,,NGK,,ZINC000030160238,,,,,447406,[H]N([C@H]1[C@@H](O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O)C(C)=O,"InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8+/m1/s1",WHCJUIFHMJFEFZ-YQXRAVKXSA-N
DB04493,643-13-0,Fructose-6-phosphate,experimental,,,,,,F6R,,ZINC000085994845,,,,15946,69507,OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1",GSXOAOHZAIYLCY-HSUXUTPPSA-N
DB04494,,Dihydroxy(oxo)molybdenum(6+),experimental,,,,,,OMO,,,,,,,,O[Mo+6](O)=O,InChI=1S/Mo.2H2O.O/h;2*1H2;/q+8;;;/p-2,GKDPEXRCAVYDOG-UHFFFAOYSA-L
DB04495,,Paratoulene phosphate,experimental,,,,,,843,,ZINC000003979522,CHEMBL25826,14689,,,447518,CC(=O)N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,"InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1",GGPXNASQNUOIPB-NSOVKSMOSA-N
DB04496,718599-64-5,4-Phospho-D-erythronohydroxamic acid,experimental,,,,,,RES,,,CHEMBL116018,50148767,,,449303,[H]N(O)C(=O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1",JJQQOJRGUHNREK-PWNYCUMCSA-N
DB04497,,2'-Monophosphoadenosine-5'-Diphosphoribose,experimental,,,,,,APX,,,,,,,131704284,[H][C@@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C3NCN[C@@]4([H])[NH3+])[C@]([H])(OP(O)(O)=O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C15H28N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h4-6,8-12,14-15,17-18,21-24H,1-3,16H2,(H,28,29)(H,30,31)(H2,25,26,27)/p+1/t5-,6-,8-,9-,10-,11-,12-,14-,15-/m1/s1",QHNQLFGTVLWISK-MQSGHBOVSA-O
DB04498,,Aspartate Semialdehyde,experimental,,,,,,AS2,,ZINC000003870023,,,,,49866644,[H][C@@](N)(CC=O)C(O)=O,"InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1",HOSWPDPVFBCLSY-GSVOUGTGSA-N
DB04499,20780-53-4,(R)-styrene oxide,experimental,,,,,,RSO,,ZINC000000901251,CHEMBL1235743,,,45389,114705,C1O[C@@H]1C1=CC=CC=C1,"InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1",AWMVMTVKBNGEAK-QMMMGPOBSA-N
DB04500,556-08-1,Acedoben,experimental,,,,,,TYZ,,ZINC000000000226,CHEMBL112687,239165,ACEDOBEN,46171,19266,CC(=O)NC1=CC=C(C=C1)C(O)=O,"InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)",QCXJEYYXVJIFCE-UHFFFAOYSA-N
DB04501,464-15-3,Camphane,experimental,,,,,,CAE,,,,,,41341,,[H][C@]12CC[C@](C)(CC1)C2(C)C,"InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3/t8-,10+",BEWYHVAWEKZDPP-WAAGHKOSSA-N
DB04502,,WRR-204,experimental,,,,,,VSC,,ZINC000014881251,,,,,17754216,O=C(N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)OC1=CC=CC=C1)OCC1=CC=CC=C1,"InChI=1S/C34H36N2O6S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-43(39,40)42-31-19-11-4-12-20-31/h1-20,30,32H,21-26H2,(H,35,37)(H,36,38)/t30-,32-/m0/s1",SUGQHICXCRBQOI-CDZUIXILSA-N
DB04503,,Sp-722,experimental,,,,,,TP3,,ZINC000003870988,CHEMBL325414,50149202,,46068,445505,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)S(=O)(=O)N1CCC[C@]1([H])C(O)=O)C(O)=O,"InChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1",NDDOUBGQRWFVQM-QWHCGFSZSA-N
DB04504,,"(3s)-2,3,4,5-Tetrahydropyridin-3-Amine",experimental,,,,,,XBB,,ZINC000022039222,,,,,445281,[H][C@@]1(N)CCC=NC1,"InChI=1S/C5H10N2/c6-5-2-1-3-7-4-5/h3,5H,1-2,4,6H2/t5-/m1/s1",SEECZTVWJNGUEJ-RXMQYKEDSA-N
DB04505,,"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine",experimental,,,,,,PU9,,ZINC000005853200,CHEMBL326523,15380,,,448971,COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=CN=C3N2CCCC#C)=C1,"InChI=1S/C20H22ClN5O3/c1-5-6-7-8-26-14(25-16-19(22)23-11-24-20(16)26)10-12-9-13(27-2)17(28-3)18(29-4)15(12)21/h1,9,11H,6-8,10H2,2-4H3,(H2,22,23,24)",WUJFGZAAFADPSF-UHFFFAOYSA-N
DB04506,519-62-0,Chlorophyll B,experimental,,,,,,CHL,,,,,,27888,46926108,[Mg++].[H]C(=O)C1=C(CC)C2=N\C\1=C/C1=C(C=C)C(C)=C([N-]1)\C=C1/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]1C)C1=C3[N-]/C(=C\2)C(C)=C3C(=O)[C@@H]1C(=O)OC,"InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1",NSMUHPMZFPKNMZ-VBYMZDBQSA-M
DB04508,,"Methyl(6s)-1-Thio-L-Manno-Hexodialdo-6,2-Pyranoside",experimental,,,,,,WIA,,ZINC000033821554,,,,,5289570,[H][C@@]1(O)[C@@]([H])(O)[C@]([H])(OC)O[C@]([H])(C=S)[C@]1([H])O,"InChI=1S/C7H12O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h2-10H,1H3/t3-,4+,5+,6-,7-/m1/s1",RAZJTJNGLFDKPL-VOQCIKJUSA-N
DB04509,,N-Methylnaloxonium,experimental,,,,,,NLX,,ZINC000247655549,,,,,6323452,C[N@@+]1(CC=C)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35,"InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1",PCSQOABIHJXZMR-YNUHATHGSA-O
DB04510,820-11-1,3-phospho-D-glyceric acid,experimental,,,,,,3PG,,ZINC000003869934,CHEMBL1160563,50216218,,17794,439183,O[C@H](COP(O)(O)=O)C(O)=O,"InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",OSJPPGNTCRNQQC-UWTATZPHSA-N
DB04511,,N-Succinyl Methionine,experimental,,,,,,SMG,,ZINC000002043758,,,,,448581,[H][C@](CCSC)(NC(=O)CCC(O)=O)C(O)=O,"InChI=1S/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m1/s1",CZFFMUMOBDIXJU-ZCFIWIBFSA-N
DB04512,24683-00-9,2-Isobutyl-3-methoxypyrazine,experimental,,,,,,PRZ,,ZINC000000156517,CHEMBL97355,,,,32594,COC1=C(CC(C)C)N=CC=N1,"InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3",UXFSPRAGHGMRSQ-UHFFFAOYSA-N
DB04513,,N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide,experimental,,,,,,WW7,,ZINC000001649496,CHEMBL41631,50111446,,,5681,NCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl,"InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2",IDEHCMNLNCJQST-UHFFFAOYSA-N
DB04514,,Uridylyl-2'-5'-phospho-guanosine,experimental,,,,,,U2G,,ZINC000058661254,,,,,135403833,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2N2C=CC(=O)N([H])C2=O)[C@@H](O)[C@H]1O,"InChI=1S/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1",DFYLLEBFVZTKHD-VMIOUTBZSA-N
DB04515,1887228-22-9,2-O-methyl-alpha-L-fucopyranose,experimental,,,,,,MXZ,,,,,,,444792,CO[C@@H]1[C@H](O)O[C@@H](C)[C@@H](O)[C@H]1O,"InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1",YLAMTMNJXPWCQN-CXNFULCWSA-N
DB04516,,2-Deoxy-Glucitol-6-Phosphate,experimental,,,,,,DG6,,ZINC000005828787,,,,,49866901,[H][C@@](O)(CCO)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,"InChI=1S/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6+/m1/s1",KLPBNGZTTQNYHR-PBXRRBTRSA-N
DB04517,,Dipyrromethane Cofactor,experimental,,,,,,DPM,,ZINC000015277485,,,,42121,5460481,CC1=C(CC(O)=O)C(CCC(O)=O)=C(CC2=C(CC(O)=O)C(CCC(O)=O)=CN2)N1,"InChI=1S/C20H24N2O8/c1-10-13(6-19(27)28)12(3-5-18(25)26)16(22-10)8-15-14(7-20(29)30)11(9-21-15)2-4-17(23)24/h9,21-22H,2-8H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)",LCAXMKQKEYTFDM-UHFFFAOYSA-N
DB04518,,"3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol",experimental,,,,,,CK5,,ZINC000002047391,CHEMBL47527,8050,,,447959,CC1=NC(C)=C(S1)C1=NC(NC2=CC=CC(O)=C2)=NC=C1,"InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(20)8-11/h3-8,20H,1-2H3,(H,16,18,19)",JJDRRZFRTKZLFT-UHFFFAOYSA-N
DB04519,124-07-2,Caprylic acid,investigational,,,D05220,20178,,OCA,3998,ZINC000001530416,CHEMBL324846,50485608,OCTANOIC ACID,28837,135372298,CCCCCCCC(O)=O,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",WWZKQHOCKIZLMA-UHFFFAOYSA-N
DB04520,,"(3s,8ar)-3-(4-Hydroxybenzyl)Hexahydropyrrolo[1,2-a]Pyrazine-1,4-Dione",experimental,,,,,,TYP,,ZINC000001629943,CHEMBL359788,,,6631,119404,[H][C@@]12CCCN1C(=O)[C@]([H])(CC1=CC=C(O)C=C1)NC2=O,"InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1",LSGOTAXPWMCUCK-RYUDHWBXSA-N
DB04521,,4-S-Glutathionyl-5-pentyl-tetrahydro-furan-2-ol,experimental,,,,,,HAG,,ZINC000031976570,,,,,444455,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS[C@@]1([H])C[C@H](O)O[C@@H]1CCCCC)C(=O)N([H])CC(O)=O)C(O)=O,"InChI=1S/C19H33N3O8S/c1-2-3-4-5-13-14(8-17(26)30-13)31-10-12(18(27)21-9-16(24)25)22-15(23)7-6-11(20)19(28)29/h11-14,17,26H,2-10,20H2,1H3,(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13+,14-,17+/m0/s1",ICRIFHIWWXQBPY-JEJJNBGPSA-N
DB04522,407-41-0,Dexfosfoserine,experimental,,,,,,SEP,4120,ZINC000003869280,CHEMBL284377,17664,PHOSPHOSERINE,15811,57689797,N[C@@H](COP(O)(O)=O)C(O)=O,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",BZQFBWGGLXLEPQ-REOHCLBHSA-N
DB04523,,Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate,experimental,,,,,,TCO,,,CHEMBL92567,50137816,,,448022,[H][C@@](NC(=O)OC(C)(C)C)(C=O)C1CCCCC1,"InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1",BDSGOSWEKUGHOV-LLVKDONJSA-N
DB04524,524-14-1,Malonyl-CoA,experimental,,,,,,MLC,,ZINC000008551112,CHEMBL1234355,50260111,,15531,644066,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O,"InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1",LTYOQGRJFJAKNA-DVVLENMVSA-N
DB04525,,N-(3-Carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide,experimental,,,,,,INX,,ZINC000003965850,CHEMBL175198,13611,,,445785,CCCCCNC(=O)[C@H](CC1=CC=C(OCC(O)=O)C(=C1)C(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(O)=O,"InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1",PUAJYWYRZTYQKS-GOTSBHOMSA-N
DB04526,,L-Glycero-D-Manno-Heptopyranose,experimental,,,,,,GMH,,,,,,42976,125414,[H][C@](O)(CO)[C@@]1([H])O[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5-,6+,7-/m0/s1",BGWQRWREUZVRGI-QQABCQGCSA-N
DB04527,20790-72-1,beta-Hydroxyasparagine,experimental,,,,,,AHB,,,,,,50789,15991574,N[C@@H]([C@H](O)C(N)=O)C(O)=O,"InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1",VQTLPSCRBFYDNX-LWMBPPNESA-N
DB04528,51-28-5,"2,4-Dinitrophenol",experimental,,,,,,DNF,,ZINC000012358776,CHEMBL273386,,MP-101,42017,1493,OC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H",UFBJCMHMOXMLKC-UHFFFAOYSA-N
DB04529,101485-50-1,Desvancosaminyl vancomycin,experimental,,,,,,,,,,,,75953,447876,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2,"InChI=1S/C59H62Cl2N8O22/c1-20(2)10-30(63-3)52(80)68-44-46(75)22-5-8-34(28(60)12-22)88-36-14-24-15-37(51(36)91-59-50(79)49(78)48(77)38(19-70)90-59)89-35-9-6-23(13-29(35)61)47(76)45-57(85)67-43(58(86)87)27-16-25(71)17-33(73)40(27)26-11-21(4-7-32(26)72)41(54(82)69-45)66-55(83)42(24)65-53(81)31(18-39(62)74)64-56(44)84/h4-9,11-17,20,30-31,38,41-50,59,63,70-73,75-79H,10,18-19H2,1-3H3,(H2,62,74)(H,64,84)(H,65,81)(H,66,83)(H,67,85)(H,68,80)(H,69,82)(H,86,87)/t30-,31+,38-,41-,42-,43+,44-,45+,46-,47-,48-,49+,50-,59+/m1/s1",QCHYVJAUGVHJHX-PZIRYZLHSA-N
DB04530,,"S,S-(2-Hydroxyethyl)Thiocysteine",experimental,,,,,,CME,,,,,,74104,170018,N[C@@H](CSSCCO)C(O)=O,"InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1",YPUBRSXDQSFQBA-BYPYZUCNSA-N
DB04531,3054-01-1,S-Benzylcysteine,experimental,,,,,,BCS,,ZINC000000404298,CHEMBL63130,50213728,,145803,193613,N[C@@H](CSCC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1",GHBAYRBVXCRIHT-VIFPVBQESA-N
DB04532,120-72-9,Indole,experimental,,,,1311224,,IND,,ZINC000014516984,CHEMBL15844,50094702,,16881,798,N1C=CC2=C1C=CC=C2,"InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H",SIKJAQJRHWYJAI-UHFFFAOYSA-N
DB04533,95-84-1,2-Amino-4-methylphenol,experimental,,,,,,2AC,,ZINC000000388269,CHEMBL224282,,,,7264,CC1=CC=C(O)C(N)=C1,"InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3",ZMXYNJXDULEQCK-UHFFFAOYSA-N
DB04534,5401-94-5,5-Nitroindazole,experimental,,,,,,5NI,,ZINC000000156104,CHEMBL165372,50304144,,,21501,[O-][N+](=O)C1=CC=C2NN=CC2=C1,"InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)",WSGURAYTCUVDQL-UHFFFAOYSA-N
DB04537,20696-57-5,Tryptophanamide,experimental,,,,,,LTN,,ZINC000000057505,CHEMBL227123,50518653,,16533,439356,N[C@@H](CC1=CNC2=C1C=CC=C2)C(N)=O,"InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1",JLSKPBDKNIXMBS-VIFPVBQESA-N
DB04538,6061-13-8,threo-3-methyl-L-aspartic acid,experimental,,,,,,2AS,,ZINC000000901781,CHEMBL76739,,,47980,440064,C[C@@H]([C@H](N)C(O)=O)C(O)=O,"InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1",LXRUAYBIUSUULX-HRFVKAFMSA-N
DB04539,1071-83-6,Glyphosate,experimental,,,,1800093,,GPJ,,,,,,,59121227,OC(=O)C[NH2+]CP(O)(O)=O,"InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1",XDDAORKBJWWYJS-UHFFFAOYSA-O
DB04540,57-88-5,Cholesterol,"['approved', 'investigational']",,,D00040,2438,,CLR,,ZINC000003875383,CHEMBL112570,20192,CHOLESTEROL,16113,5997,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",HVYWMOMLDIMFJA-DPAQBDIFSA-N
DB04541,97011-16-0,Cyclo(prolylglycyl),experimental,,,,,,GIO,,ZINC000000402826,CHEMBL360216,,NA831,,126154,[H][C@@]12CCCN1C(=O)CNC2=O,"InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1",OWOHLURDBZHNGG-YFKPBYRVSA-N
DB04542,106060-89-3,Zidovudine diphosphate,experimental,,,,,,AZD,,ZINC000012504398,,,,,455742,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,"InChI=1S/C10H15N5O10P2/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(24-8)4-23-27(21,22)25-26(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1",QOYVAFWJURKBJG-XLPZGREQSA-N
DB04543,,"2,6-Diamino-8-(1h-Imidazol-2-Ylsulfanylmethyl)-3h-Quinazoline-4-One",experimental,,,,,,AIQ,,ZINC000005940856,,,,,135460962,NC1=NC2=C(C=C(N)C=C2CSC2=NC=CN2)C(=O)N1,"InChI=1S/C12H12N6OS/c13-7-3-6(5-20-12-15-1-2-16-12)9-8(4-7)10(19)18-11(14)17-9/h1-4H,5,13H2,(H,15,16)(H3,14,17,18,19)",CEWKWXPCQGWWBM-UHFFFAOYSA-N
DB04544,,1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide,experimental,,,,,,CR6,,ZINC000005884195,CHEMBL592878,50306563,,,445723,[H]N([H])C(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([H])C(C)=O,"InChI=1S/C9H16N2O7/c1-3(13)11-9(8(10)17)7(16)6(15)5(14)4(2-12)18-9/h4-7,12,14-16H,2H2,1H3,(H2,10,17)(H,11,13)/t4-,5-,6+,7-,9+/m1/s1",BUPVODXECQDZQR-YCOWOFQRSA-N
DB04545,169105-89-9,Afegostat,"['experimental', 'investigational']",,,,,,IFM,,ZINC000003813668,CHEMBL206468,50182801,AT-2101,194390,447607,OC[C@H]1CNC[C@@H](O)[C@@H]1O,"InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1",QPYJXFZUIJOGNX-HSUXUTPPSA-N
DB04546,6736-58-9,3-Deazaadenosine,experimental,,,,,,AD3,,ZINC000018193375,CHEMBL202701,82055,,,23190,NC1=NC=CC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1",DBZQFUNLCALWDY-PNHWDRBUSA-N
DB04547,,Inhibitor BEA409,experimental,,,,,,BEE,,ZINC000095548316,CHEMBL127214,848,,,445307,CNC(=O)[C@@H](NC(=O)[C@H](OCC1=CC=C(C=C1)C1=CSC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=C(C=C1)C1=CSC=C1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C,"InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1",AJZAPEZJWWQJHC-UWNKZCSISA-N
DB04548,,4-Deoxy-D-Glucuronic Acid,experimental,,,,,,GC4,,ZINC000005850963,,,,,446228,O[C@H]1C[C@H](O[C@@H](O)[C@@H]1O)C(O)=O,"InChI=1S/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1",OGDYCNQXUUBOMI-RFPGKLGKSA-N
DB04549,,"4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide",experimental,,,,,,IOC,,ZINC000003581208,CHEMBL66907,12020,,,446240,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C=C1,"InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)",AANTYZRUJFNZFI-UHFFFAOYSA-N
DB04551,,"beta-D-fructofuranose 1,6-bisphosphate",experimental,,,,,,FBP,,ZINC000004096694,CHEMBL97893,,,28013,10267,O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1",RNBGYGVWRKECFJ-ARQDHWQXSA-N
DB04552,4394-00-7,Niflumic acid,experimental,9138686,"['M01AX02', 'M02AA17']",D08275,7418,PA164746749,NFL,1925,ZINC000000125031,CHEMBL63323,85507,NIFLUMIC ACID,34888,4488,OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1,"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",JZFPYUNJRRFVQU-UHFFFAOYSA-N
DB04553,600-18-0,2-Oxobutanoic Acid,experimental,,,,,,2KT,,ZINC000001532540,CHEMBL171246,,,30831,58,CCC(=O)C(O)=O,"InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)",TYEYBOSBBBHJIV-UHFFFAOYSA-N
DB04554,,8-Bromoadenosine-5'-Diphosphate,experimental,,,,,,ABP,,ZINC000013548110,CHEMBL1230795,,,,447236,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1",KVVVTFSHHQCHNZ-UUOKFMHZSA-N
DB04555,63-38-7,Cytidine-5'-Diphosphate,experimental,,,,,,CDP,,ZINC000008215624,CHEMBL425252,50194153,,17239,6132,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1",ZWIADYZPOWUWEW-XVFCMESISA-N
DB04556,139306-10-8,NAP-226-90,experimental,,,,,,SAF,,ZINC000003591018,,,,,445892,C[C@H](N(C)C)C1=CC(O)=CC=C1,"InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1",GQZXRLWUYONVCP-QMMMGPOBSA-N
DB04557,506-32-1,Arachidonic Acid,experimental,,,,1368624,,ACD,,ZINC000004474696,CHEMBL15594,22319,ARACHIDONIC ACID,15843,444899,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-",YZXBAPSDXZZRGB-DOFZRALJSA-N
DB04559,130974-86-6,N-(Chlorophenyl)-N'-hydroxyguanidine,experimental,,,,,,PH3,,,CHEMBL323202,,,,181426,N\C(NO)=N/C1=CC=C(Cl)C=C1,"InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)",JYBXKTLYOMPMQY-UHFFFAOYSA-N
DB04560,,"4,7-Dioxosebacic Acid",experimental,,,,,,DSB,,ZINC000003870974,,,,,1698,OC(=O)CCC(=O)CCC(=O)CCC(O)=O,"InChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16)",DUAWJQCMZICMIK-UHFFFAOYSA-N
DB04561,,"4-acetamido-2,4-didexoy-D-glycero-beta-D-galacto-octopyranosylphosphonic acid",experimental,,,,,,AXP,,ZINC000005884104,,,,,445079,[H][C@]1(O[C@H](C[C@H](O)[C@H]1NC(C)=O)P(O)(O)=O)[C@H](O)[C@H](O)CO,"InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1",QITAGYVZDNZULE-HDBWYCHPSA-N
DB04562,99-14-9,Tricarballylic acid,experimental,,,,,,TRC,,ZINC000000334493,CHEMBL1236394,50119563,,45969,14925,OC(=O)CC(CC(O)=O)C(O)=O,"InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KQTIIICEAUMSDG-UHFFFAOYSA-N
DB04563,,CRA_9678,experimental,,,,,,678,,,,,,,17753799,NC(=N)C1=CC2=C(NC(=C2)C2=C(O)C(Br)=CC(CC([O-])=O)=C2)C=C1,"InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,21,24H,5H2,(H3,19,20)(H,22,23)/p-1",VIZNZQTZRMTYPZ-UHFFFAOYSA-M
DB04564,90-80-2,Gluconolactone,"['experimental', 'approved']",,,D04332,25842,,LGC,5144,ZINC000002539702,CHEMBL1200829,50366565,GLUCONOLACTONE,16217,7027,OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1",PHOQVHQSTUBQQK-SQOUGZDYSA-N
DB04565,,4-(Acetylamino)-3-[(Hydroxyacetyl)Amino]Benzoic Acid,experimental,,,,,,ST5,,ZINC000003581157,CHEMBL327097,,,,446324,CC(=O)NC1=CC=C(C=C1NC(=O)CO)C(O)=O,"InChI=1S/C11H12N2O5/c1-6(15)12-8-3-2-7(11(17)18)4-9(8)13-10(16)5-14/h2-4,14H,5H2,1H3,(H,12,15)(H,13,16)(H,17,18)",CRHJDPGLFDNPOA-UHFFFAOYSA-N
DB04566,131-99-7,Inosinic Acid,experimental,,,,5832,,IMP,,ZINC000004228242,CHEMBL1207374,19254,,17202,135398640,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O,"InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",GRSZFWQUAKGDAV-KQYNXXCUSA-N
DB04567,,Chromophore (Gly-Tyr-Gly),experimental,,,,,,CRO,,ZINC000058631965,,,,,49866829,[H]\C(=C1\N=C(N(CC(O)=O)C1=O)[C@@]([H])(N)[C@@]([H])(C)O)C1=CC=C(O)C=C1,"InChI=1S/C15H17N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-6,8,13,19-20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1",UZCDFHUXSDKGEZ-NGDPAIJVSA-N
DB04568,,5-Aminoimidazole Ribonucleoside,experimental,,,,,,AIS,,ZINC000005955037,,,,142416,448820,[H][C@]1(CO)O[C@@]([H])(N2C=NC=C2N)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1",NKYAAYKKNSYIIW-XVFCMESISA-N
DB04569,104-57-4,Benzyl formate,experimental,,,,,,PHQ,,ZINC000001530244,,,,3057,7708,O=COCC1=CC=CC=C1,"InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2",UYWQUFXKFGHYNT-UHFFFAOYSA-N
DB04570,64952-97-2,Latamoxef,"['approved', 'investigational']","['6217353', '3778044']",J01DD06,D08109,7069,PA164743144,,1851,,CHEMBL74632,50370589,,599928,47499,[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C(O)=O)C1=CC=C(O)C=C1)OC)C(O)=O,"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1",JWCSIUVGFCSJCK-CAVRMKNVSA-N
DB04571,3902-71-4,Trioxsalen,approved,"['15611423', '17150768', '17373769']","['D05BA01', 'D05AD01']",D01034,10844,PA164747186,,2759,ZINC000000002226,CHEMBL1475,50240033,TRIOXYSALEN,28329,5585,CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1,"InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3",FMHHVULEAZTJMA-UHFFFAOYSA-N
DB04572,52-24-4,Thiotepa,"['approved', 'investigational']",10913381,L01AC01,D00583,10473,PA451668,,2638,ZINC000001530867,CHEMBL671,50418086,THIOTEPA,9570,5453,S=P(N1CC1)(N1CC1)N1CC1,"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2",FOCVUCIESVLUNU-UHFFFAOYSA-N
DB04573,50-27-1,Estriol,"['vet_approved', 'approved', 'investigational']",14634144,"['G03CA04', 'G03CC06']",D00185,4094,PA164769104,ESL,3187,ZINC000003815418,CHEMBL193482,50410506,ESTRIOL,27974,5756,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1",PROQIPRRNZUXQM-ZXXIGWHRSA-N
DB04574,481-97-0,Estrone sulfate,approved,,,,,PA165958342,,,ZINC000003876186,CHEMBL494753,50366524,ORTHO-EST,17474,3001028,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",JKKFKPJIXZFSSB-CBZIJGRNSA-N
DB04575,152-43-2,Quinestrol,approved,,,D00576,9066,PA164749042,,2342,ZINC000003875993,CHEMBL1201165,,,8716,9046,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3,"InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1",PWZUUYSISTUNDW-VAFBSOEGSA-N
DB04576,79660-72-3,Fleroxacin,experimental,1510417,J01MA08,D01716,42322,PA164774762,,1177,ZINC000003786299,CHEMBL6273,50247892,,31810,40466912,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(CCF)C2=C1F)C(O)=O,"InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)",XBJBPGROQZJDOJ-UHFFFAOYSA-N
DB04577,17511-89-6,1-(1-phenylcyclopentyl)methylamine,experimental,,,,,,007,,ZINC000000984833,CHEMBL382127,11555,,39505,205131,NCC1(CCCC1)C1=CC=CC=C1,"InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2",SJWOFBVBNFLWLP-UHFFFAOYSA-N
DB04578,,"(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide",experimental,,,,,,008,,ZINC000012504428,CHEMBL381806,11558,,39484,5494385,[H][C@](N)(CC(=O)N1CC2=CC=CC=C2C[C@@]1([H])C(N)=O)CC1=CC=CC=C1F,"InChI=1S/C20H22FN3O2/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26/h1-8,16,18H,9-12,22H2,(H2,23,26)/t16-,18+/m1/s1",OEVYDSSAPNIURZ-AEFFLSMTSA-N
DB04579,,"N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine",experimental,,,,,,042,,ZINC000014961482,,,,,49866368,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O,"InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7-,8+,9-,10-,11-,12-/m0/s1",QMPAEYUADYAXIX-XFVKVHEMSA-N
DB04580,606-43-9,1-Methyl-2-quinolone,experimental,,,,,,12Q,,ZINC000000336851,CHEMBL216146,50157646,,,11820,CN1C(=O)C=CC2=CC=CC=C12,"InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3",QYEMNJMSULGQRD-UHFFFAOYSA-N
DB04581,4238-71-5,1-benzylimidazole,experimental,"['1159635', '7684507', '6142461']",,,,,1BN,,ZINC000000169811,CHEMBL14192,7887,,,77918,C(N1C=CN=C1)C1=CC=CC=C1,"InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2",KKKDZZRICRFGSD-UHFFFAOYSA-N
DB04582,,Imazaquin,experimental,,,,,,1IQ,,ZINC000003851892,CHEMBL1229742,50487032,,147359,909781,CC(C)[C@@]1(C)N=C(NC1=O)C1=NC2=CC=CC=C2C=C1C(O)=O,"InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1",CABMTIJINOIHOD-QGZVFWFLSA-N
DB04583,,"5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid",experimental,,,,,,201,,ZINC000012504430,CHEMBL203836,16099,,,5287459,NC(=O)C1=CC(=CC(=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24)",LAZPCGBRHLARSI-UHFFFAOYSA-N
DB04584,7060-39-1,Phenyldehydroalanine,experimental,,,,,,23F,,ZINC000100034429,,,,,5702627,N\C(=C/C1=CC=CC=C1)C(O)=O,"InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6-",YWIQQKOKNPPGDO-VURMDHGXSA-N
DB04585,,DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID,experimental,,,,,,2BH,,ZINC000169748487,,,,,657085,N[C@@H](CC\C=C\[B-](O)(O)O)C(O)=O,"InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1",CCCYGXMAMSUXAV-FYTLMZHYSA-N
DB04586,95-56-7,o-Bromophenol,experimental,,,,,,2BR,,ZINC000000388200,CHEMBL186007,50150783,,34264,7244,OC1=CC=CC=C1Br,"InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",VADKRMSMGWJZCF-UHFFFAOYSA-N
DB04587,,2'-O-butyl-5-methyluridine,experimental,,,,,,2BT,,ZINC000058633308,,,,,49866449,CCCCO[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1N1C=C(C)C(=O)NC1=O,"InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1",WSAMAMLAATZRPR-PRULPYPASA-N
DB04588,,"N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE",experimental,,,,,,2DD,,ZINC000014958419,CHEMBL200255,15399,,,5287470,NS(=O)(=O)C1=CC=C(CNC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,"InChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27)",OOHYJGNSESWEFT-UHFFFAOYSA-N
DB04590,,(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID,experimental,,,,,,346,,ZINC000012504433,,13590,,,6852220,CCOC1=CC([C@@H](NC2=CC=C(C=C2)C(N)=N)C(O)=O)=C(F)C(O[C@@H]2CCOC2)=C1,"InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1",PGYOHIAQCFZQDK-AUUYWEPGSA-N
DB04591,,"N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE",experimental,,,,,,382,,ZINC000012504434,,,,,5287492,[H][C@@]1(CCCCN1)C(F)(F)CNC1=NC=CC2=C1N=C(CC1=CC=CC=C1N1C=NC=N1)O2,"InChI=1S/C22H23F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-2,5-6,8,10,13-14,18,26H,3-4,7,9,11-12H2,(H,27,28)/t18-/m1/s1",VYJOAYZRCNHDNG-GOSISDBHSA-N
DB04592,76334-36-6,3-Bromo-3-buten-1-ol,experimental,,,,,,3BB,,ZINC000002530726,,,,,533975,OCCC(Br)=C,"InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2",RTKMFQOHBDVEBC-UHFFFAOYSA-N
DB04593,,3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID,experimental,,,,,,3CB,,ZINC000014881275,,,,,5326876,CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(=CC=C1)C(O)=O)C(=O)N[C@@H](CCC(N)=N)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C27H37N7O6S/c1-3-16(2)23(34-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)33-21(11-12-22(28)29)25(35)32-14-17-7-9-19(10-8-17)24(30)31/h4-10,13,16,21,23,34H,3,11-12,14-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/t16-,21+,23-/m1/s1",UBGNMISWPGURDN-XORNHQRDSA-N
DB04594,638-18-6,3-hydroxyglutaric acid,experimental,,,,,,3HG,,ZINC000002556454,CHEMBL556937,50344960,,39980,181976,OC(CC(O)=O)CC(O)=O,"InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)",ZQHYXNSQOIDNTL-UHFFFAOYSA-N
DB04595,,"(E)-(4S,6S)-8-METHYL-6-((S)-3-METHYL-2-{(S)-2-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID BENZYL ESTER",experimental,,,,,,,,ZINC000053683585,CHEMBL1230135,419120,,39900,6323191,CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)C1=NOC(C)=C1)C(=O)N[C@H](\C=C\C(=O)OCC1=CC=CC=C1)C[C@@H]1CCNC1=O,"InChI=1S/C35H48N6O8/c1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24/h7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43)/b13-12+/t23-,25-,26+,27-,30-/m0/s1",IDBWWEGDLCFCTD-VNEMRZQUSA-N
DB04596,,"4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-β-D-mannopyranosyl}-D-glucopyranuronic acid",experimental,,,,,,46D,,,,,,,5287514,[H][C@@]12CO[C@@](C)(O[C@@]1([H])[C@H](O)[C@H](O)[C@H](O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1C(O)=O)O2)C(O)=O,"InChI=1S/C15H22O14/c1-15(14(23)24)25-2-3-8(29-15)5(17)7(19)13(26-3)28-9-4(16)6(18)12(22)27-10(9)11(20)21/h3-10,12-13,16-19,22H,2H2,1H3,(H,20,21)(H,23,24)/t3-,4-,5-,6-,7+,8-,9+,10+,12?,13+,15+/m1/s1",GZJXZKGVHLWBOW-AISSFXTFSA-N
DB04597,,"[4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE]",experimental,,,,,,46M,,ZINC000006415582,,,,,4369553,C[C@@]1(OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O1)C(O)=O,"InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5+,6-,7-,9+/m1/s1",QVVFNJUJKXWFAU-BDIBXJNUSA-N
DB04598,,2-AMINO-4-CHLORO-3-HYDROXYBENZOIC ACID,experimental,,,,,,4AA,,ZINC000006091734,CHEMBL1230244,,,,114947,NC1=C(C=CC(Cl)=C1O)C(O)=O,"InChI=1S/C7H6ClNO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,9H2,(H,11,12)",VWEPFJPQZFIOAU-UHFFFAOYSA-N
DB04599,72432-10-1,Aniracetam,experimental,"['12869631', '11412837']",N06BX11,D01883,17939,,4MP,221,ZINC000000015951,CHEMBL36994,,,47943,2196,COC1=CC=C(C=C1)C(=O)N1CCCC1=O,"InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3",ZXNRTKGTQJPIJK-UHFFFAOYSA-N
DB04600,,"4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE",experimental,,,,,,4TR,,ZINC000003991718,CHEMBL108483,10020,,,4369414,NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1Br,"InChI=1S/C16H13BrN6O3S/c17-15-7-13(3-6-16(15)26-27(19,24)25)9-23(22-10-20-21-11-22)14-4-1-12(8-18)2-5-14/h1-7,10-11H,9H2,(H2,19,24,25)",GHDKYBCUDPSXGJ-UHFFFAOYSA-N
DB04601,,"4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE",experimental,,,,,,4TZ,,ZINC000001550080,CHEMBL430879,10017,,,4369413,NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1,"InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24)",WEXGHQDVDVWOIU-UHFFFAOYSA-N
DB04602,,PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE,experimental,,,,,,5AA,,,,,,,451597,CN(C)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](N)[C@H]1O,"InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1",BFPIKGKMRKBBBF-GRIPGOBMSA-N
DB04603,,5-Formyl-2'-deoxy-cytidine-5'-monophosphate,experimental,,,,,,5FC,,ZINC000058632385,,,,,15081829,NC1=NC(=O)N(C=C1C=O)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,"InChI=1S/C10H14N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2-3,6-8,15H,1,4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1",HDFNXAHZEYLDBJ-XLPZGREQSA-N
DB04604,24386-93-4,5-iodotubercidin,experimental,,,,,,5ID,,ZINC000005161616,CHEMBL99203,50375654,,40167,97297,[H][C@]1(CO)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1",WHSIXKUPQCKWBY-IOSLPCCCSA-N
DB04605,1125-60-6,5-Aminoisoquinoline,experimental,,,,,,5IQ,,ZINC000000154819,CHEMBL216973,32097,,,70766,NC1=CC=CC2=C1C=CN=C2,"InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2",DTVYNUOOZIKEEX-UHFFFAOYSA-N
DB04606,,2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE),experimental,,,,,,5PI,,ZINC000003989246,,,,,5326888,CCCOC1=CC2=C(NC=C2C[C@@H](NS(=O)(=O)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2=CC=C(C=C2)C(N)=N)C=C1,"InChI=1S/C29H39N7O6S/c1-3-13-42-21-9-10-23-22(15-21)20(17-33-23)14-25(36-43(40,41)4-2)29(39)35-24(11-12-26(30)37)28(38)34-16-18-5-7-19(8-6-18)27(31)32/h5-10,15,17,24-25,33,36H,3-4,11-14,16H2,1-2H3,(H2,30,37)(H3,31,32)(H,34,38)(H,35,39)/t24-,25+/m0/s1",UHMORXPPNXDKHY-LOSJGSFVSA-N
DB04607,,"PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE",experimental,,,,,,628,,ZINC000012504436,CHEMBL182260,6670,,,5330608,NS(=O)(=O)C1=CC=C(NC2=CN3C=C(C=CC3=N2)C(=O)C2=C(Cl)C=CC=C2Cl)C=C1,"InChI=1S/C20H14Cl2N4O3S/c21-15-2-1-3-16(22)19(15)20(27)12-4-9-18-25-17(11-26(18)10-12)24-13-5-7-14(8-6-13)30(23,28)29/h1-11,24H,(H2,23,28,29)",UQAWGIKJINAKIZ-UHFFFAOYSA-N
DB04608,,"9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE",experimental,,,,,,824,,ZINC000006475935,CHEMBL214253,50192349,,,4369491,OC1=CC2=C(NC3=CC(=C4C(=O)NC(=O)C4=C23)C2=CC=CC=C2)C=C1,"InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)",IAUZTOZLTFSMIE-UHFFFAOYSA-N
DB04609,,INHIBITOR Q8467 OF DUPONT MERCK,experimental,,,,,,846,,ZINC000003833859,CHEMBL301213,50055589,,,448069,O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2CC2)[C@@H]1CC1=CC=CC=C1,"InChI=1S/C34H36N4O4S/c39-30-28(19-23-8-3-1-4-9-23)37(21-25-14-15-25)34(42)38(29(31(30)40)20-24-10-5-2-6-11-24)22-26-12-7-13-27(18-26)32(41)36-33-35-16-17-43-33/h1-13,16-18,25,28-31,39-40H,14-15,19-22H2,(H,35,36,41)/t28-,29-,30+,31+/m1/s1",HFLCERPZYCWLSZ-VKONIRKNSA-N
DB04610,,"7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin",experimental,,,,,,87Y,,ZINC000003871289,,,,,135509072,C[C@@]1(CCC2=CC=CC=C2)NC2=C(N=C1CO)C(=O)NC(N)=N2,"InChI=1S/C16H19N5O2/c1-16(8-7-10-5-3-2-4-6-10)11(9-22)18-12-13(21-16)19-15(17)20-14(12)23/h2-6,22H,7-9H2,1H3,(H4,17,19,20,21,23)/t16-/m0/s1",XMFJTCGUDFSWSW-INIZCTEOSA-N
DB04612,,"N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE",experimental,,,,,,997,,ZINC000014881281,CHEMBL1230661,13174,,,5388929,CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC1=CC=CC=C1)C(C)(C)C,"InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-23(39-22-14-7-6-8-15-22)18-26(35)29(37)33-25-17-11-13-21-12-9-10-16-24(21)25/h6-10,12,14-16,20,23,25-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23-,25+,26-,27+/m0/s1",QKPXPZYQPBWDHS-MCJAPYMPSA-N
DB04613,,"(E)-(4S,6S)-6-((S)-2-{(S)-2-[(FURAN-2-CARBONYL)-AMINO]-3-METHYL-BUTYRYLAMINO}-3-METHYL-BUTYRYLAMINO)-8-METHYL-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID ETHYL ESTER",experimental,,,,,,9IN,,ZINC000014881283,,512852,,,5287569,CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C1=COC=C1,"InChI=1S/C32H49N5O8/c1-8-45-25(38)10-9-23(16-21-11-13-33-28(21)39)34-30(41)24(15-18(2)3)35-31(42)26(19(4)5)37-32(43)27(20(6)7)36-29(40)22-12-14-44-17-22/h9-10,12,14,17-21,23-24,26-27H,8,11,13,15-16H2,1-7H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)(H,37,43)/b10-9+/t21-,23+,24-,26-,27-/m0/s1",JQGYBVLTABWBOF-VTQXMFKGSA-N
DB04614,,(R)-tacrine(10)-hupyridone,experimental,,,,,,A1E,,ZINC000012504437,,,,,5326966,O=C1NC2=C(C=C1)[C@@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12,"InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m1/s1",ROTFGKJJMRTWBD-HHHXNRCGSA-N
DB04615,,(S)-tacrine(10)-hupyridone,experimental,,,,,,A2E,,ZINC000012504438,,,,,5326967,O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12,"InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1",ROTFGKJJMRTWBD-MHZLTWQESA-N
DB04616,,TACRINE(8)-4-AMINOQUINOLINE,experimental,,,,,,A8B,,ZINC000012504439,CHEMBL1082738,9441,,,656986,C(CCCCNC1=C2CCCCC2=NC2=CC=CC=C12)CCCNC1=CC=NC2=CC=CC=C12,"InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)",UNVOAAWEEGAXTN-UHFFFAOYSA-N
DB04617,,"(9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM",experimental,,,,,,A8N,,,,,,,5287586,[NH3+]CCCCCCCCNC1=C2CCCCC2=[NH+]C2=CC=CC=C12,"InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)/p+2",LFBAUYQQFKFFCF-UHFFFAOYSA-P
DB04618,,"4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE",experimental,,,,,,AAO,,ZINC000261527162,,,,,4369393,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C37H63NO28/c1-8-15(18(46)25(53)34(58-8)64-31-13(6-42)62-37(28(56)23(31)51)65-30-12(5-41)59-33(57)24(52)21(30)49)38-10-2-9(3-39)29(20(48)16(10)44)63-36-27(55)22(50)32(14(7-43)61-36)66-35-26(54)19(47)17(45)11(4-40)60-35/h2,8,10-57H,3-7H2,1H3/t8-,10+,11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34-,35-,36-,37-/m1/s1",HAWINQMQXQMONI-OBPZNAFQSA-N
DB04619,98-86-2,Acetophenone,experimental,,,,2467143,,AC0,,ZINC000000896628,CHEMBL274467,50236986,,27632,7410,CC(=O)C1=CC=CC=C1,"InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3",KWOLFJPFCHCOCG-UHFFFAOYSA-N
DB04620,52-52-8,Cycloleucine,experimental,2170997,,,,,AC5,,ZINC000000001234,CHEMBL295830,50070638,,40547,2901,NC1(CCCC1)C(O)=O,"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)",NILQLFBWTXNUOE-UHFFFAOYSA-N
DB04622,673-49-4,N-acetylhistamine,experimental,,,,,,AHN,,ZINC000000404262,CHEMBL1230893,7949,,28483,69602,CC(=O)NCCC1=CNC=N1,"InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)",XJWPISBUKWZALE-UHFFFAOYSA-N
DB04623,,"2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE",experimental,,,,,,AKC,,ZINC000150339742,,,,,5459358,CCOCCOC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@]1(CC2=CC=CC=C2)NC=C([C@@H]2[C@@H]3OC(=O)N[C@@H]3C3=CC=CC=C23)C1=O,"InChI=1S/C36H39N3O7/c1-2-44-17-18-45-34(42)38-28(19-23-11-5-3-6-12-23)29(40)21-36(20-24-13-7-4-8-14-24)33(41)27(22-37-36)30-25-15-9-10-16-26(25)31-32(30)46-35(43)39-31/h3-16,22,28-32,37,40H,2,17-21H2,1H3,(H,38,42)(H,39,43)/t28-,29-,30+,31+,32-,36-/m0/s1",CGBRFCVAMLJVEA-ZGURCIGKSA-N
DB04624,,DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME),experimental,,,,,,AKV,,ZINC000012504442,,,,,42627264,[H][C@](O)(CC)C[C@@]([H])(O)C1=C(O)C2=C(C=C1CC(=O)OC)C(=O)C1=CC=CC(O)=C1C2=O,"InChI=1S/C22H22O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,11,15,23-25,28H,3,8-9H2,1-2H3/t11-,15+/m0/s1",SIHNJMGWRHPFAZ-XHDPSFHLSA-N
DB04626,37321-09-8,Apramycin,"['experimental', 'vet_approved']","['16596680', '15849690', '17258916']",,D02322,,,AM2,,ZINC000008214486,CHEMBL1230961,,,2790,3081545,CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](N)[C@H](O)[C@H]1O,"InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1",XZNUGFQTQHRASN-XQENGBIVSA-N
DB04627,3736-77-4,Cyclouridine,experimental,,,,,,ANU,,ZINC000000315929,CHEMBL3251336,,,,806138,OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=O)C=CN23)[C@@H]1O,"InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1",UUGITDASWNOAGG-CCXZUQQUSA-N
DB04628,103782-08-7,Allosamidin,experimental,,,,,,AO3,,ZINC000053683592,CHEMBL1230997,50331851,,,119339,CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1,"InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1",MDWNFWDBQGOKNZ-XYUDZHFQSA-N
DB04629,,Aplyronine A,experimental,,,,,,AP8,,,,,,,11840920,COC[C@H](N(C)C)C(=O)O[C@@H]1C\C=C\C=C\C(=O)O[C@@H](C\C=C\[C@H](OC)C[C@H](C)C\C=C(C)\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)[C@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)\C=C\N(C)C=O,"InChI=1S/C59H101N3O14/c1-38-27-28-39(2)50(72-18)31-29-40(3)56(67)44(7)52(76-59(69)49(36-70-16)61(13)14)24-20-19-21-26-54(65)74-51(25-22-23-48(35-38)71-17)43(6)55(66)41(4)30-32-53(75-58(68)46(9)60(11)12)45(8)57(73-47(10)64)42(5)33-34-62(15)37-63/h19-23,26,28,33-34,37-38,40-46,48-53,55-57,66-67H,24-25,27,29-32,35-36H2,1-18H3/b20-19+,23-22+,26-21+,34-33+,39-28+/t38-,40-,41+,42-,43-,44-,45+,46+,48+,49+,50+,51+,52-,53-,55+,56-,57-/m1/s1",JMXMEKJLQWJRHY-GDEZZODWSA-N
DB04630,52-39-1,Aldosterone,"['experimental', 'investigational']",12788829,H02AA01,,1312358,PA164924487,AS4,111,ZINC000003833824,CHEMBL273453,19214,ALDOSTERONE,27584,5839,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO,"InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1",PQSUYGKTWSAVDQ-ZVIOFETBSA-N
DB04631,119509-24-9,Atpenin A5,experimental,,,,,,AT5,,ZINC000014262625,CHEMBL1081615,,,,54676868,[H][C@](C)(C[C@]([H])(C)[C@@]([H])(Cl)CCl)C(=O)C1=C(O)C(OC)=C(NC1=O)OC,"InChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1",OVULNOOPECCZRG-CIUDSAMLSA-N
DB04632,,4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE,experimental,,,,,,B11,,ZINC000012504443,CHEMBL197277,50174088,,,5287728,OC1=C(CNC2CCN(CC2)S(=O)(=O)NC2=CC(OC3=CC=C(F)C=C3)=CC=C2)C=CC=C1,"InChI=1S/C24H26FN3O4S/c25-19-8-10-22(11-9-19)32-23-6-3-5-21(16-23)27-33(30,31)28-14-12-20(13-15-28)26-17-18-4-1-2-7-24(18)29/h1-11,16,20,26-27,29H,12-15,17H2",JHHBGNIRSUTQAS-UHFFFAOYSA-N
DB04633,,"N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine",experimental,,,,,,B33,,ZINC000012504444,,,,,5494411,CCCNCCCNCCCNCC,"InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3",ZFYULDAPZWEGGQ-UHFFFAOYSA-N
DB04634,,N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE,experimental,,,,,,BBL,,ZINC000082067834,CHEMBL1231234,223538,,,736104,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(O)=O,"InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1",TYRGLVWXHJRKMT-QMMMGPOBSA-N
DB04636,,Glutamine t-butyl ester,experimental,,,,,,BGT,,ZINC000053683597,,,,191234,5287779,CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O,"InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H2,11,12)/t6-/m0/s1",VVOPSEUXHSUTJS-LURJTMIESA-N
DB04637,4286-55-9,6-Bromo-1-hexanol,experimental,,,,,,BHL,,ZINC000002242705,CHEMBL1231334,,,,77970,OCCCCCCBr,"InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2",FCMCSZXRVWDVAW-UHFFFAOYSA-N
DB04638,88-58-4,"2,5-di-tert-butylhydroquinone",experimental,,,,,,BHQ,,ZINC000000056404,CHEMBL480626,176764,,41094,2374,CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C,"InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3",JZODKRWQWUWGCD-UHFFFAOYSA-N
DB04639,,Biphenylalanine,experimental,,,,,,BIF,,ZINC000002244337,,,,,2761815,[H][C@](N)(CC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1",JCZLABDVDPYLRZ-AWEZNQCLSA-N
DB04640,581-75-9,"Naphthalene-2,6-disulfonic acid",experimental,,,,,,BIH,,ZINC000001669723,CHEMBL1206869,,,41070,11390,OS(=O)(=O)C1=CC2=CC=C(C=C2C=C1)S(O)(=O)=O,"InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)",FITZJYAVATZPMJ-UHFFFAOYSA-N
DB04641,,"3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID",experimental,,,,,,BIK,,ZINC000000156898,CHEMBL1231350,50379183,,,736299,OC(=O)C1=C(O)C=C2C=CC(O)=CC2=C1,"InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)",QMWOUSYSNFCKAZ-UHFFFAOYSA-N
DB04642,,"7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID",experimental,,,,,,BN2,,ZINC000012504445,,,,,5326884,OC(=O)CCCCCCOC1=C(Cl)C=C(NC(=O)NC(=O)C2=CC=CC=C2Cl)C=C1Cl,"InChI=1S/C21H21Cl3N2O5/c22-15-8-5-4-7-14(15)20(29)26-21(30)25-13-11-16(23)19(17(24)12-13)31-10-6-2-1-3-9-18(27)28/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,27,28)(H2,25,26,29,30)",XQTOWNDCHQJXOQ-UHFFFAOYSA-N
DB04643,,"4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID",experimental,,,,,,BN3,,ZINC000012504446,,,,,5326885,OC(=O)CCCOC1=CC=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1,"InChI=1S/C18H15Cl3N2O5/c19-10-3-5-12(13(20)8-10)17(26)23-18(27)22-15-6-4-11(9-14(15)21)28-7-1-2-16(24)25/h3-6,8-9H,1-2,7H2,(H,24,25)(H2,22,23,26,27)",FYQVFMLCZJZZEM-UHFFFAOYSA-N
DB04644,,"4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID",experimental,,,,,,BN4,,ZINC000012504447,,,,,5326886,CC1=C(C)C(OCCCC(O)=O)=CC=C1NC(=O)NC(=O)C1=CC=C(Cl)C=C1Cl,"InChI=1S/C20H20Cl2N2O5/c1-11-12(2)17(29-9-3-4-18(25)26)8-7-16(11)23-20(28)24-19(27)14-6-5-13(21)10-15(14)22/h5-8,10H,3-4,9H2,1-2H3,(H,25,26)(H2,23,24,27,28)",FCEMCUPAYRPTLS-UHFFFAOYSA-N
DB04645,,"5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID",experimental,,,,,,BN5,,ZINC000012504448,,,,,5326887,CC1=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C=CC=C1OCCCCC(O)=O,"InChI=1S/C20H20Cl2N2O5/c1-12-16(5-4-6-17(12)29-10-3-2-7-18(25)26)23-20(28)24-19(27)14-9-8-13(21)11-15(14)22/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H2,23,24,27,28)",NJJIFGCFUDDBSP-UHFFFAOYSA-N
DB04646,29096-93-3,Dibromothymoquinone,experimental,,,,,,BNT,,ZINC000002011646,CHEMBL1231418,,,19371,34474,CC(C)C1=C(Br)C(=O)C(C)=C(Br)C1=O,"InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3",GHHZELQYJPWSMG-UHFFFAOYSA-N
DB04647,,BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA,experimental,,,,,,BO9,,ZINC000169748488,,,,,5287824,C[C@@H](NC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(O)=O)B(O)O,"InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1",OTTYWVUOPWENAJ-HOJAQTOUSA-N
DB04648,,S-propylamine-L-cysteine,experimental,,,,,,BPE,,ZINC000012504449,,,,,23644529,NCCCSC[C@H](N)CO,"InChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1",RYOVYWMBACBGOD-ZCFIWIBFSA-N
DB04649,,TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S,experimental,,,,,,BST,,ZINC000012504450,,,,,5287847,CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=C[C@@](N)(O)NC1=O)C(N)=N,"InChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1",MVFPGTZTOAHVBP-HXYLPHSESA-N
DB04650,,"5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID",experimental,,,,,,BTQ,,ZINC000001532548,,,,,638035,[H][C@]12CS[C@]([H])(CCCCC(O)=O)[C@@]1([H])NC(=O)N2,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m0/s1",YBJHBAHKTGYVGT-OOZYFLPDSA-N
DB04651,,BIOTINOL-5-AMP,experimental,,,,,,BTX,,ZINC000014881284,CHEMBL1231498,50039492,,,6102809,NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@@H](O)[C@H]3O)C2=NC=N1,"InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/t10-,11+,12-,13-,15+,16+,19+/m0/s1",KBOGUFFJCBPJEH-SQGSUPJISA-N
DB04652,50-22-6,Corticosterone,experimental,,,,,,C0R,,ZINC000013513592,CHEMBL110739,50170653,CORTICOSTERONE,16827,5753,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO,"InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1",OMFXVFTZEKFJBZ-HJTSIMOOSA-N
DB04653,133410-84-1,N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide,experimental,,,,,,C1N,,ZINC000026289134,CHEMBL72006,,,,11505008,[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)CF)C(=O)OCC1=CC=CC=C1,"InChI=1S/C30H40FN3O6/c1-19(2)14-25(28(37)32-24(27(36)17-31)16-21-10-12-23(35)13-11-21)33-29(38)26(15-20(3)4)34-30(39)40-18-22-8-6-5-7-9-22/h5-13,19-20,24-26,35H,14-18H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1",JCRSHQCFRMCMOC-GSDHBNRESA-N
DB04654,,4-PIPERIDIN-4-YLBUTANAL,experimental,,,,,,C1R,,ZINC000012504451,,,,,11840929,O=CCCCC1CCNCC1,"InChI=1S/C9H17NO/c11-8-2-1-3-9-4-6-10-7-5-9/h8-10H,1-7H2",HADYAKDSDIXWOF-UHFFFAOYSA-N
DB04655,7761-45-7,Metoprine,experimental,,,,,,C2M,,ZINC000000001723,CHEMBL264373,50059956,,,24466,CC1=C(C(N)=NC(N)=N1)C1=CC(Cl)=C(Cl)C=C1,"InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)",VQJHOPSWBGJHQS-UHFFFAOYSA-N
DB04656,,"1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)-CYCLOHEXANE-1-CARBOXYLIC A CID",experimental,,,,,,CA2,,ZINC000012504452,,,,,6102758,[H][C@@]1(O)C[C@@](O)(C[C@]([H])(CCCOC2=CC=CC=C2)[C@@]1([H])O)C(O)=O,"InChI=1S/C16H22O6/c17-13-10-16(21,15(19)20)9-11(14(13)18)5-4-8-22-12-6-2-1-3-7-12/h1-3,6-7,11,13-14,17-18,21H,4-5,8-10H2,(H,19,20)/t11-,13+,14+,16-/m0/s1",SCUFESRLGCQXRX-DCDXPUDHSA-N
DB04657,5234-68-4,Carboxin,"['experimental', 'approved']",,,,,,CBE,,ZINC000000043478,CHEMBL1231667,,,3405,21307,CC1=C(SCCO1)C(=O)NC1=CC=CC=C1,"InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",GYSSRZJIHXQEHQ-UHFFFAOYSA-N
DB04658,127414-85-1,Calystegine B2,experimental,,,,,,CGB,,ZINC000012504453,CHEMBL526330,36389,,,124434,[H][C@]12CC[C@](O)(N1)[C@@H](O)[C@H](O)[C@H]2O,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1",FXFBVZOJVHCEDO-IBISWUOJSA-N
DB04659,,"(1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE",experimental,,,,,,CGT,,ZINC000012504454,,,,,9600408,OC[C@H]1C[C@@H](S\C(=N/OS(O)(=O)=O)CC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-/t10-,11-,13-,14+,15+/m1/s1",LZDZCEOFJWRJIA-GGASBGQWSA-N
DB04660,28319-77-9,Choline alfoscerate,"['experimental', 'investigational']",8726961,N07AX02,D07349,4918,,CH5,627,,CHEMBL1567463,,L-ALPHA-GLYCERYLPHOSPHORYLCHOLINE,16870,657272,[H][C@@](O)(CO)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1",SUHOQUVVVLNYQR-MRVPVSSYSA-N
DB04661,151057-28-2,cis-tetracosenoyl sulfatide,experimental,,,,,,CIS,,ZINC000096006127,,,,41539,5459361,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1",ZZQWQNAZXFNSEP-JCOQVFCVSA-N
DB04662,,OLOMOUCINE II,experimental,,,,,,CK9,,ZINC000012504456,CHEMBL1094304,50366800,,,5494414,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=CC=C2O)=N1,"InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1",NDUVSANREQEDRE-CQSZACIVSA-N
DB04663,,"2-KETO-6-PHOSPHATE-D-GLUCONIC ACID, ALPHA-FURANOSE FORM",experimental,,,,,,CKP,,ZINC000012504457,,,,,5494415,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@](O)([C@@H]1O)C(O)=O,"InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1",LXQWHMQOSMCJIZ-ZGEUXELVSA-N
DB04664,250692-65-0,Cyclohexyl-pentyl-maltoside,experimental,,,,,,CM5,,ZINC000014881288,,,,,5327073,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1",RVTGFZGNOSKUDA-ZNGNCRBCSA-N
DB04665,91-64-5,Coumarin,experimental,,,,2898,PA134521193,COU,738,ZINC000000074709,CHEMBL6466,12342,COUMARIN,28794,323,O=C1OC2=CC=CC=C2C=C1,InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
DB04666,,CHROMOPHORE (LYS-TYR-GLY),experimental,,,,,,CR7,,ZINC000058632177,,,,,49866823,[H]\C(=C1\N=C(N(CC(O)=O)C1=O)[C@@]([H])(N)CCCCN)C1=CC=C(O)C=C1,"InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,9,13,22H,1-3,8,10,18-19H2,(H,23,24)/b14-9-/t13-/m0/s1",WMFQEYFPYHFWRF-GFAPJHNFSA-N
DB04667,,CHROMOPHORE (HIS-TYR-GLY),experimental,,,,,,CR8,,,,,,,,[H][C@](N)(CC1=CN=CN1)C1=NC(C=C2C=CC(=O)C=C2)=C(O)N1CC([O-])=O,"InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,26H,6,8,18H2,(H,19,20)(H,24,25)/p-1/t13-/m0/s1",XQYFXZGKDDMSCJ-ZDUSSCGKSA-M
DB04668,,CHROMOPHORE (GLU-TYR-GLY),experimental,,,,,,CRU,,,,,,,,[H]N=C(CCC(O)=O)C1=N\C(=C(/[H])C2=CC=C(O)C=C2)C(=O)N1CC(O)=O,"InChI=1S/C16H15N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7,17,20H,5-6,8H2,(H,21,22)(H,23,24)/b12-7+,17-11-",HQWMTGYOYORUQE-ZLCHUIHLSA-N
DB04669,,TRIAZOLOPYRIMIDINE,experimental,,,,,,CT8,,ZINC000012504458,,11457,,,5327131,BrC1=CC=CC(=C1)C1=NC2=[N+](NC=N2)C(NCC2=CC=NC=C2)=C1,"InChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1",YWBFPKPWMSWWEA-UHFFFAOYSA-O
DB04671,,[(1S)-4-[[Amino-[(2R)-2-amino-2-carboxyethyl]sulfanylmethylidene]amino]-1-carboxybutyl]azanium,experimental,,,,,,CYR,,,,,,,131704288,N[C@@H](CS\C(N)=N\CCC[C@H]([NH3+])C(O)=O)C(O)=O,"InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1",FBDBZWJNHYXEKT-WDSKDSINSA-O
DB04672,6453-60-7,"Cyclic 3',5'-thymidine monophosphate",experimental,,,,,,D4M,,ZINC000006521243,CHEMBL403328,,,,461278,[H][C@]1(COP(O)(O)=O)O[C@]([H])(C=C1)N1C=C(C)C(=O)NC1=O,"InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1",XLPGURCDSRIXFL-JGVFFNPUSA-N
DB04673,,4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE,experimental,,,,,,D91,,ZINC000039691358,,,,,49866889,[H][C@@]1(CC(C)C)CN(CCN1C(=O)C1=NC=C(C=N1)C1=CC=NC=C1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1,"InChI=1S/C26H27ClN6O3S/c1-17(2)11-22-16-32(37(35,36)24-13-19-12-21(27)3-4-23(19)31-24)9-10-33(22)26(34)25-29-14-20(15-30-25)18-5-7-28-8-6-18/h3-8,12-15,17,22,31H,9-11,16H2,1-2H3/t22-/m1/s1",JUUFKVAFKAKWRV-JOCHJYFZSA-N
DB04674,,"2-HYDROXY-3,5-DIIODOBENZOIC ACID",experimental,,,,,,DIU,,ZINC000003860382,CHEMBL1232243,,,,8631,OC(=O)C1=C(O)C(I)=CC(I)=C1,"InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",DHZVWQPHNWDCFS-UHFFFAOYSA-N
DB04676,1101-84-4,Dansyllysine,experimental,,,,,,DNS,,ZINC000002545087,,,,42024,121945,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@H](N)C(O)=O,"InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1",VQPRNSWQIAHPMS-HNNXBMFYSA-N
DB04677,,N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE,experimental,,,,,,DPK,,ZINC000012504460,,,,,5288103,[H][C@@](C)(CC1=CC=CC=C1)N(C)CC=C,"InChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1",BVYBGDRWIWQPOV-GFCCVEGCSA-N
DB04678,,H TYPE II TRISACCHARIDE,experimental,,,,,,,,ZINC000024718035,CHEMBL1232343,,,42088,5288910,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-8(4-23)33-18(31)9(12(16)27)21-6(2)24/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1",PHTAQVMXYWFMHF-QVPNGJTFSA-N
DB04679,,Human blood group H type 1 trisaccharide,experimental,,,,,,,,ZINC000024718076,,,,59296,5326971,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-9(21-6(2)24)18(31)33-8(4-23)12(16)27/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1",MGSDFCKWGHNUSM-QVPNGJTFSA-N
DB04680,,GALACTOSE GREASE,experimental,,,,,,DR4,,ZINC000012504461,,,,,5326972,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCCC(=O)OC)[C@]1([H])O,"InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1",ZJZBQHWSENWEMY-DZQJYWQESA-N
DB04681,,BETA-METHYLLACTOSIDE,experimental,,,,,,,,ZINC000012504462,CHEMBL503075,50048093,,610092,121942,CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1",FHNIYFZSHCGBPP-ABBMIVAOSA-N
DB04682,9036-19-5,Octylphenoxy polyethoxyethanol,experimental,,,,,,DR6,,,,,,,14123494,CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1,"InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3",WEGJDERSZWOWIB-UHFFFAOYSA-N
DB04683,,"(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE",experimental,,,,,,DR9,,ZINC000053683609,,,,,5288113,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC,"InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1",QGIXWNRQEFVVRM-CTDKCSBDSA-N
DB04684,143-23-7,Bis(6-aminohexyl)amine,experimental,,,,,,DRE,,ZINC000001598087,CHEMBL318516,50032501,,,8924,NCCCCCCNCCCCCCN,"InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2",MRNZSTMRDWRNNR-UHFFFAOYSA-N
DB04685,,"1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE",experimental,,,,,,DUX,,ZINC000012504465,CHEMBL209720,50190544,,,4369390,[H][C@]1(F)C[C@@]([H])(O[C@]1([H])COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N1C=CC(=O)NC1=O,"InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1",GJNIPWYJQUGERM-BFLUCZKCSA-N
DB04686,,CHROMOPHORE (ASP-TYR-GLY),experimental,,,,,,DYG,,ZINC000058632479,,,,,49866928,[H]\C(=C1\N=C(N(CC(O)=O)C1=O)[C@@]([H])(N)CC(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C15H15N3O6/c16-10(6-12(20)21)14-17-11(15(24)18(14)7-13(22)23)5-8-1-3-9(19)4-2-8/h1-5,10,19H,6-7,16H2,(H,20,21)(H,22,23)/b11-5-/t10-/m0/s1",PGTRRWBPGBMHIF-QIMWGGGBSA-N
DB04687,,DIMETHYL THIOPHOSPHATE,experimental,,,,,,DZZ,,ZINC000016039348,,,,,168140,COP(O)(=S)OC,"InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)",WWJJVKAEQGGYHJ-UHFFFAOYSA-N
DB04688,7143-09-1,Methylecgonine,experimental,,,,,,ECG,,ZINC000004654765,CHEMBL1232472,50417947,,31529,104904,[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@@]([H])(O)C2,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1",QIQNNBXHAYSQRY-UYXSQOIJSA-N
DB04689,,2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID,experimental,,,,,,EHA,,ZINC000012504466,CHEMBL201880,50181911,,,6102812,CCCC1=C(OCCCOC2=CC3=C(C=C2)N(CC(O)=O)C=C3)C=CC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1,"InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)",ZXWVCCFKIRBLDP-UHFFFAOYSA-N
DB04690,7689-03-4,Camptothecin,experimental,"['9213622', '5357525']",,,,PA153590860,EHD,,ZINC000000105309,CHEMBL65,50008923,,27656,24360,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O,"InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1",VSJKWCGYPAHWDS-FQEVSTJZSA-N
DB04691,,2'-O-[1-ethyl-1H-imidazol)] thymidine-5'-monophosphate,experimental,,,,,,EIT,,ZINC000058650408,,,,,49866943,CC1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2OCCN2C=CN=C2)C(=O)NC1=O,"InChI=1S/C15H21N4O9P/c1-9-6-19(15(22)17-13(9)21)14-12(26-5-4-18-3-2-16-8-18)11(20)10(28-14)7-27-29(23,24)25/h2-3,6,8,10-12,14,20H,4-5,7H2,1H3,(H,17,21,22)(H2,23,24,25)/t10-,11-,12-,14-/m1/s1",WIDKIMZIZVKQGR-HKUMRIAESA-N
DB04692,,Ethyl (2E)-4-({(2S)-2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl)amino]-2-phenylacetyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate,experimental,,,,,,ENB,,,,,,,23304231,[H]N([C@@H](C(C)C)C(=O)N([H])[C@H](C(=O)N([H])C(C[C@@H]1CCN([H])C1=O)\C=C\C(=O)OCC)C1=CC=CC=C1)C(=O)OC(C)(C)C,"InChI=1S/C29H42N4O7/c1-7-39-22(34)14-13-21(17-20-15-16-30-25(20)35)31-27(37)24(19-11-9-8-10-12-19)32-26(36)23(18(2)3)33-28(38)40-29(4,5)6/h8-14,18,20-21,23-24H,7,15-17H2,1-6H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/b14-13+/t20-,21?,23-,24-/m0/s1",NUDVEHBHDBJSMD-XBEUYHOESA-N
DB04693,5696-58-2,"Estrane-3,17-dione",experimental,,,,,,ESR,,ZINC000006067856,,,,,5288172,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12[H],"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1",CRDKSBHJIGNEOH-IMRIKWHGSA-N
DB04694,,"2,6-anhydro-3-deoxy-3-fluoronononic acid",experimental,,,,,,FKD,,ZINC000033836617,,,,,5327010,[H][C@]1(O[C@](O)(C(O)=O)[C@]([H])(F)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CO,"InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1",KOWJBKIDVGQXJZ-QMFVTVPYSA-N
DB04695,,Farnesyl thiopyrophosphate,experimental,,,,,,FPS,,ZINC000012504468,,,,,657041,[H]\C(CC\C(C)=C(/[H])CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C,"InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+",MYMLCRQRXFRQGP-YFVJMOTDSA-N
DB04696,,"4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN",experimental,,,,,,GA9,,ZINC000014881294,,18753,,,5288329,OC1=C(Br)C=C(C=C1)C1(OC(=O)C2=C3C(C=CC=C13)=C(Cl)C=C2)C1=CC(Br)=C(O)C=C1,"InChI=1S/C24H13Br2ClO4/c25-17-10-12(4-8-20(17)28)24(13-5-9-21(29)18(26)11-13)16-3-1-2-14-19(27)7-6-15(22(14)16)23(30)31-24/h1-11,28-29H",GFGZCXHXQCQRFP-UHFFFAOYSA-N
DB04697,,TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE,experimental,,,,,,GAH,,,,,,,,NC(N)=NCCCC[C@H](NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN=C(N)N)CC1)C(N)=O,"InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1",PCCHJIAHIWBHDQ-CNXMXSPQSA-N
DB04698,353522-10-8,"N-(1,4-dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide",experimental,,,,,,GAJ,,ZINC000013681668,CHEMBL202311,50182477,,,6102777,[H]N(C1=NN([H])N=N1)S(=O)(=O)C1=CC2=C(OC3=CC=CC=C3C2=O)C=C1,"InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)",HJWYZPGYPZNDTN-UHFFFAOYSA-N
DB04699,96-48-0,gamma-Butyrolactone,"['experimental', 'illicit']",,,,,,GBL,,ZINC000004658567,CHEMBL95681,,,42639,7302,O=C1CCCO1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,YEJRWHAVMIAJKC-UHFFFAOYSA-N
DB04700,,GLUTATHIONE SULFINATE,experimental,,,,,,GSF,,ZINC000012504471,,,,,5326960,N[C@@H](CCC(=O)N[C@@H](C[S@](O)=O)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C10H17N3O8S/c11-5(10(18)19)1-2-7(14)13-6(4-22(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1",DMAPAHUEYHXRFI-WDSKDSINSA-N
DB04701,2922-56-7,S-Methyl glutathione,experimental,,,,,,GSM,,ZINC000001532230,CHEMBL1233129,225232,,141473,134692079,CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1",QTQDDTSVRVWHMO-BQBZGAKWSA-N
DB04702,,"S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGENTHIODIPHOSPHATE",experimental,,,,,,GST,,,,,,,5288476,[H]\C(CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C,"InChI=1S/C10H20O6P2S/c1-9(2)5-4-6-10(3)7-8-19-18(14,15)16-17(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+",AKIXWSDUEPPMKM-JXMROGBWSA-N
DB04703,520-26-3,Hesperidin,"['approved', 'investigational']",,,D01038,5281,PA449867,H1N,,ZINC000008143568,CHEMBL449317,61776,HESPERIDIN,28775,10621,COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O,"InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",QUQPHWDTPGMPEX-QJBIFVCTSA-N
DB04704,516-72-3,20-hydroxycholesterol,experimental,,,,,,HC2,,ZINC000004096811,CHEMBL1233249,50035884,,,440711,CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1",MCKLJFJEQRYRQT-MGNSQDQZSA-N
DB04705,2140-46-7,25-Hydroxycholesterol,experimental,,,,,,HC3,,ZINC000005751264,CHEMBL169046,20182,,42977,65094,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O,"InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1",INBGSXNNRGWLJU-ZHHJOTBYSA-N
DB04706,566-27-8,7beta-hydroxycholesterol,experimental,,,,,,HCR,,ZINC000005758832,CHEMBL497834,50045545,,42989,473141,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1",OYXZMSRRJOYLLO-KGZHIOMZSA-N
DB04707,105628-72-6,Hydroxyfasudil,experimental,,,,,,HFS,,ZINC000013815406,CHEMBL1233300,50027431,,,3064778,O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1,"InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)",ZAVGJDAFCZAWSZ-UHFFFAOYSA-N
DB04708,,"(S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE",experimental,,,,,,HH1,,ZINC000100376841,,,,,5459370,NC(=O)C[C@H]1C[C@@H](C2=CN[C@](C[C@H](O)[C@H](CC3=CC=CC=C3)NC(=O)O[C@H]3CCOC3)(CC3=CC=CC=C3)C2=O)C2=CC=CC=C12,"InChI=1S/C37H41N3O6/c38-34(42)19-26-18-30(29-14-8-7-13-28(26)29)31-22-39-37(35(31)43,20-25-11-5-2-6-12-25)21-33(41)32(17-24-9-3-1-4-10-24)40-36(44)46-27-15-16-45-23-27/h1-14,22,26-27,30,32-33,39,41H,15-21,23H2,(H2,38,42)(H,40,44)/t26-,27+,30-,32+,33+,37+/m1/s1",SYNSHNDQFWMLJW-YZGRCXSVSA-N
DB04709,,"(3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE",experimental,,,,,,HYQ,,,,,,,,[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@]1([H])CC[C@@]2([H])CC1)C1=CC=C(C2=CC=CC=C12)[N+]([O-])=O,"InChI=1S/C20H18N2O4/c23-19-17-11-5-6-12(8-7-11)18(17)20(24)21(19)15-9-10-16(22(25)26)14-4-2-1-3-13(14)15/h1-4,9-12,17-18H,5-8H2/t11-,12+,17-,18+",DEJXHCDDTLTVNB-FRVJLOGJSA-N
DB04710,,(E)-(S)-4-[(S)-4-METHYL-2-((S)-3-METHYL-2{(S)-2-[(5-METHYL-ISOXAZOLE-3- CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-PENTANOYLAMINO]-5-((S)-2- OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER,experimental,,,,,,I12,,ZINC000014881295,,496911,,,15959287,CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)C1=NOC(C)=C1,"InChI=1S/C30H46N6O8/c1-8-43-24(37)10-9-21(15-20-11-12-31-27(20)39)33-28(40)22(13-16(2)3)34-30(42)25(17(4)5)35-26(38)19(7)32-29(41)23-14-18(6)44-36-23/h9-10,14,16-17,19-22,25H,8,11-13,15H2,1-7H3,(H,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,38)/b10-9+/t19-,20-,21+,22-,25-/m0/s1",LIVSSCDUYUOZEL-GLXPMXKMSA-N
DB04711,606-17-7,Iodipamide,approved,925927,V08AC04,D01774,5936,PA164745532,IDB,1455,,CHEMBL1165268,50238666,CHOLOGRAFIN,31176,3739,OC(=O)C1=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I,"InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)",FFINMCNLQNTKLU-UHFFFAOYSA-N
DB04712,,ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE,experimental,,,,,,IDE,,ZINC000012504476,,,,,5459372,OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C2=NC(CNC3=CC=CC=C3)=CN12,"InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14-/m1/s1",ADKWVGPRAQKVKB-YIYPIFLZSA-N
DB04713,62561-75-5,4-Iodo-D-phenylalanine,experimental,,,,,,IOY,,ZINC000003679925,CHEMBL1233638,,,43422,2733279,[H][C@@](N)(CC1=CC=C(I)C=C1)C(O)=O,"InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1",PZNQZSRPDOEBMS-MRVPVSSYSA-N
DB04714,,ISOPENTENYL PYROPHOSPHATE,experimental,,,,,,IPE,,ZINC000008215654,CHEMBL356362,25257,,16584,1195,CC(=C)CCO[P@](O)(=O)OP(O)(O)=O,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)",NUHSROFQTUXZQQ-UHFFFAOYSA-N
DB04715,,IMIDAZOPYRIDAZIN 1,experimental,,,,,,IYZ,,ZINC000012504477,CHEMBL200528,11835,,,5459373,CC(=O)C1=CC=CC(=C1)C1=CN=C2C=CC(NCC3CC3)=NN12,"InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)",IVUBNTNWKIPCPS-UHFFFAOYSA-N
DB04716,457081-03-7,"2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one",experimental,,,,,,IZA,,ZINC000012504479,CHEMBL21156,26198,,87103,5494425,CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1,"InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)",VNDWQCSOSCCWIP-UHFFFAOYSA-N
DB04717,,2''-O-[N-(3-(aminopropyl)2-aminoethyl]paromomycin,experimental,,,,,,JS4,,ZINC000095540249,CHEMBL412763,,,,16658532,NCCCNCCO[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@H]1O[C@H]1O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]1N,"InChI=1S/C28H57N7O14/c29-2-1-3-35-4-5-43-25-23(48-26-15(33)20(41)18(39)12(7-30)44-26)14(9-37)46-28(25)49-24-17(38)10(31)6-11(32)22(24)47-27-16(34)21(42)19(40)13(8-36)45-27/h10-28,35-42H,1-9,29-34H2/t10-,11+,12+,13-,14-,15-,16-,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+/m1/s1",FJVLHNJZMYGVLT-XXJRHLBLSA-N
DB04718,,"(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(piperidin-3-ylmethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",experimental,,,,,,JS5,,,CHEMBL376109,,,,5459375,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2OCCNCC2CCCNC2)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C31H61N7O14/c32-7-15-21(42)23(44)18(35)29(47-15)51-26-17(11-40)49-31(28(26)46-5-4-38-9-12-2-1-3-37-8-12)52-27-20(41)13(33)6-14(34)25(27)50-30-19(36)24(45)22(43)16(10-39)48-30/h12-31,37-45H,1-11,32-36H2/t12?,13-,14+,15+,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1",AHJDGUQMOYBKDU-NSCPTEJBSA-N
DB04719,,"DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE",experimental,,,,,,K25,,ZINC000008830553,CHEMBL376505,50156670,,,5326976,CN(C)C1=NC2=C(Br)C(Br)=C(Br)C(Br)=C2N1,"InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)",SLPJGDQJLTYWCI-UHFFFAOYSA-N
DB04720,,"S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE",experimental,,,,,,K37,,ZINC000012504480,CHEMBL222476,,,,5326977,CSC1=NC2=C(N1)C(Br)=C(Br)C(Br)=C2Br,"InChI=1S/C8H4Br4N2S/c1-15-8-13-6-4(11)2(9)3(10)5(12)7(6)14-8/h1H3,(H,13,14)",ZIGJZZDDPXRGTL-UHFFFAOYSA-N
DB04721,,"N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE",experimental,,,,,,K44,,ZINC000012504481,,,,,5326978,CN1CCN2C1=NC1=C(Br)C(Br)=C(Br)C(Br)=C21,"InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3",QHCZROILDUNGRT-UHFFFAOYSA-N
DB04722,,"2-[3-chloro-6-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]imino-1-hydroxypyridin-2-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide",experimental,,,,,,L17,,,,,,,,C[C@@H](NC(=O)CC1=C(Cl)C=C\C(=N/CC(F)(F)C2=CC=CC=[N+]2[O-])N1O)C1=CC(Cl)=CC=C1,"InChI=1S/C22H20Cl2F2N4O3/c1-14(15-5-4-6-16(23)11-15)28-21(31)12-18-17(24)8-9-20(30(18)33)27-13-22(25,26)19-7-2-3-10-29(19)32/h2-11,14,33H,12-13H2,1H3,(H,28,31)/b27-20+/t14-/m1/s1",QNBCEVFVDCKHNZ-AZZXOVNPSA-N
DB04723,,2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID,experimental,,,,,,L98,,ZINC000016051731,,,,,4369579,NC(N)=NC1=CC=CC(=C1)[C@@H](CS)C(O)=O,"InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)/t8-/m1/s1",YHBCRXAIIVZWEW-MRVPVSSYSA-N
DB04724,,"(S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide",experimental,,,,,,LA1,,ZINC000016051670,CHEMBL446435,50161067,,,5326914,CNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N1CCC(=O)N(CC2=CC3=CC=CC=C3N=C2)[C@@H](CC(C)C)C1=O,"InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1",COVPLULNDBDXTN-KYJUHHDHSA-N
DB04725,156897-06-2,Licofelone,investigational,"['17695530', '17305568']",,,,,LCF,,ZINC000003805769,CHEMBL300982,50038649,,,133021,CC1(C)CN2C(CC(O)=O)=C(C(=C2C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)",UAWXGRJVZSAUSZ-UHFFFAOYSA-N
DB04726,1088-56-8,Lumiflavin,experimental,,,,,,LFN,,ZINC000000391159,CHEMBL1233985,50362897,,43661,66184,CN1C2=CC(C)=C(C)C=C2N=C2C(=O)NC(=O)N=C12,"InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)",KPDQZGKJTJRBGU-UHFFFAOYSA-N
DB04727,,"1-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea",experimental,,,,,,LIF,,ZINC000003988862,CHEMBL194911,5815,,,5326956,COC1=CC=C(C=C1)C1=C(C2=C(N)N=CN=C2O1)C1=CC=C(NC(=O)NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1,"InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)",FGZIONRFHVNRJB-UHFFFAOYSA-N
DB04728,36441-41-5,Lividomycin A,experimental,,,,,,LIV,1589,ZINC000253673980,CHEMBL389029,50534265,,71961,72394,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)C[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1",DBLVDAUGBTYDFR-SWMBIRFSSA-N
DB04729,26098-04-4,Gentamicin C1a,experimental,,,,,,LLL,,ZINC000008216590,CHEMBL194126,,,27784,72396,CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O,"InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1",VEGXETMJINRLTH-BOZYPMBZSA-N
DB04731,,1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE,experimental,,,,,,LSP,,,,,,,6102806,CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+],"InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p+1/t7-/m0/s1",CWRILEGKIAOYKP-ZETCQYMHSA-O
DB04732,,N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID,experimental,,,,,,M1N,,ZINC000169748489,CHEMBL1234151,,,,387442,[H][C@@](CC(C)C)(NC(=O)[C@@]([H])(CC1=C2C=CC=CC2=CC=C1)NC(=O)N1CCOCC1)B(O)O,"InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1",MQMHIOPMTAJOHV-RTWAWAEBSA-N
DB04733,,"1,6-DI-O-PHOSPHONO-D-MANNITOL",experimental,,,,,,M2P,,ZINC000012504484,CHEMBL258208,50380322,,,4369446,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,"InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1",WOYYTQHMNDWRCW-KVTDHHQDSA-N
DB04734,498-23-7,Citraconic acid,experimental,,,,1435287,,CIZ,,ZINC000003860287,,,,17626,643798,C\C(=C\C(O)=O)C(O)=O,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-",HNEGQIOMVPPMNR-IHWYPQMZSA-N
DB04735,,MONOGALACTOSYL-DIACYLGLYCEROL,experimental,,,,,,MGE,,ZINC000053683624,,,,,5327038,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)COC(=O)CCCCCCCCCCCC,"InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1",FIJGNIAJTZSERN-DQQGJSMTSA-N
DB04736,,"2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE(BETA1-4)-2-ACETAMIDO-1,6-ANHYDRO-3-O-[(R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSE-L-ALANYL-GAMMA-D-GLUTAMYL-MESO-DIAMINOPIMELYL-D-ALANINE",experimental,,,,,,MLD,,ZINC000096006131,,,,46763,163626,C[C@@H](NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H]2OC[C@@H](O2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O,"InChI=1S/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1",UPFMKPIBAIPLHT-RSJSDIDPSA-N
DB04737,28549-12-4,(S)-mandelonitrile,experimental,,,,,,MNN,,ZINC000008100869,,,,36941,439767,O[C@H](C#N)C1=CC=CC=C1,"InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1",NNICRUQPODTGRU-MRVPVSSYSA-N
DB04738,141672-08-4,Motuporin,experimental,,,,,,,,ZINC000095614345,CHEMBL430145,50212842,,,4369034,[H]N1[C@H](CCC(=O)N(C)\C(=C/C)C(=O)N([H])[C@H]([C@H](C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](\C=C\C(\C)=C\[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C1=O)C(O)=O)C(O)=O,"InChI=1S/C40H57N5O10/c1-10-30-37(49)44-34(40(53)54)26(7)36(48)43-33(22(2)3)38(50)41-28(25(6)35(47)42-29(39(51)52)18-19-32(46)45(30)8)17-16-23(4)20-24(5)31(55-9)21-27-14-12-11-13-15-27/h10-17,20,22,24-26,28-29,31,33-34H,18-19,21H2,1-9H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,23-20+,30-10-/t24-,25-,26-,28-,29+,31-,33-,34+/m0/s1",GIRIHYQVGVTBIP-NJYUBDSESA-N
DB04739,,4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE,experimental,,,,,,MPZ,,ZINC000022794841,CHEMBL56904,50290422,,,4369496,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)CC1,"InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)",JHMBUEWQJDGKGS-UHFFFAOYSA-N
DB04740,,Moxalactam (hydrolyzed),experimental,,,,,,MX1,,,,,,,11987678,[H]N(C(=O)[C@@H](C(O)=O)C1=CC=C(O)C=C1)C(OC)(C(O)=O)[C@@]1([H])OCC(=C)C(=N1)C(O)=O,"InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16+,18+/m0/s1",ZTOQXKUYWZBJLG-LIXBPZJASA-N
DB04741,76706-55-3,Myxothiazol,experimental,,,,,,MYX,,ZINC000012504487,CHEMBL454568,,,25461,10972974,CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O,"InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1",XKTFQMCPGMTBMD-FYHMSGCOSA-N
DB04742,,"(2R)-2-{(1R)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid",experimental,,,,,,NCF,,ZINC000012504489,,,,,5288990,[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@@]1([H])SCCC(=N1)C(O)=O,"InChI=1S/C13H14N2O4S2/c16-7-10(12-15-9(13(18)19)3-5-21-12)14-11(17)6-8-2-1-4-20-8/h1-2,4,7,10,12H,3,5-6H2,(H,14,17)(H,18,19)/t10-,12-/m1/s1",QIZKCGBBVPUBJL-ZYHUDNBSSA-N
DB04743,51803-78-2,Nimesulide,"['withdrawn', 'approved', 'investigational']",,"['M01AX17', 'M02AA26']",D01049,53694,PA137179528,NIM,1935,ZINC000004617749,CHEMBL56367,50056999,R-805,44445,4495,CS(=O)(=O)NC1=C(OC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O,"InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3",HYWYRSMBCFDLJT-UHFFFAOYSA-N
DB04744,83-72-7,Lawsone,experimental,,,,,,NQ,,ZINC000004632115,CHEMBL240963,50049066,,44401,,OC1=CC(=O)C2=CC=CC=C2C1=O,"InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H",CSFWPUWCSPOLJW-UHFFFAOYSA-N
DB04745,59-31-4,2-Hydroxyquinoline,experimental,,,,,,OCH,,ZINC000008579298,CHEMBL186422,50366034,,18289,6038,O=C1NC2=C(C=CC=C2)C=C1,"InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)",LISFMEBWQUVKPJ-UHFFFAOYSA-N
DB04746,2420-56-6,"(10E,12Z)-octadecadienoic acid",experimental,,,,,,ODD,,ZINC000012504490,CHEMBL1093743,50394662,,44526,5282800,CCCCC\C=C/C=C/CCCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+",GKJZMAHZJGSBKD-NMMTYZSQSA-N
DB04747,,11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID,experimental,,,,,,ODT,,,,,,44602,5494436,CC\C=C/C=C/C=C/CCCCCCCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+",ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N
DB04748,,OXIMINOARYLSULFONAMIDE,experimental,,,,,,OIS,,ZINC000150339775,,,,,9600417,C(C)(C)CN(C[C@@H](O)[C@@H](NC(=O)[C@H](C(C)C)N1CCN(CC2=CSC(C)=N2)C1=O)CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C=C1)\C=N\O,"InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,18,22-24,30-32,41,44H,15-17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1",PJLSJXTZOMOVBI-KKWNBLJUSA-N
DB04749,,2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE,experimental,,,,,,OPS,,,,,,,5289078,[S-]CCC(=O)SCCC=O,"InChI=1S/C6H10O2S2/c7-3-1-5-10-6(8)2-4-9/h3,9H,1-2,4-5H2/p-1",LHLHVBHXBHTTIV-UHFFFAOYSA-M
DB04750,,OREGON GREEN 488 CARBOXYLATE,experimental,,,,,,ORE,,ZINC000012504493,,,,44777,5289081,OC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=C(F)C(=O)C=C2OC2=CC(O)=C(F)C=C12,"InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29)",BRJCLSQFZSHLRL-UHFFFAOYSA-N
DB04751,212844-53-6,Purvalanol A,experimental,,,,,,P01,,ZINC000000582575,CHEMBL23327,27216,,47600,456214,[H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C,"InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1",PMXCMJLOPOFPBT-HNNXBMFYSA-N
DB04752,,Phosphatidyl ethanol,experimental,,,,,,P0E,,ZINC000098209280,,,,,52946593,[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)OCCO,"InChI=1S/C39H73O9P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1",PGYPLYNHOCZJEB-JSTCSLLMSA-N
DB04753,,"9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE",experimental,,,,,,P1D,,ZINC000012504494,,,,,135464487,OC[C@H]1O[C@H]([C@@H]2O[C@H](CP(O)(O)=O)O[C@H]12)C1=CNC2=C1NC=NC2=O,"InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1",ZOEDLCUBOBTIHG-USQSKNHBSA-N
DB04754,,"GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE",experimental,,,,,,P1G,,ZINC000012504495,,,,,135464486,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](CP(O)(O)=O)O[C@@H]12,"InChI=1S/C12H16N5O8P/c13-12-15-9-6(10(19)16-12)14-3-17(9)11-8-7(4(1-18)23-11)24-5(25-8)2-26(20,21)22/h3-5,7-8,11,18H,1-2H2,(H2,20,21,22)(H3,13,15,16,19)/t4-,5-,7-,8-,11-/m1/s1",HYAPEMYRVFIHDJ-QWEIRQIHSA-N
DB04755,,PROPYL-1-PHOSPHATE,experimental,,,,,,P1P,,,,,,,49867456,[O-]CCCOP(=O)=O,InChI=1S/C3H6O4P/c4-2-1-3-7-8(5)6/h1-3H2/q-1,GVQSIYRMPBGDCV-UHFFFAOYSA-N
DB04756,,"2-[(3,5-Dichloro-4-trioxidanylphenyl)amino]benzoic acid",experimental,,,,,,P2C,,ZINC000014881299,,,,,4369477,OOOC1=C(Cl)C=C(NC2=CC=CC=C2C(O)=O)C=C1Cl,"InChI=1S/C13H9Cl2NO5/c14-9-5-7(6-10(15)12(9)20-21-19)16-11-4-2-1-3-8(11)13(17)18/h1-6,16,19H,(H,17,18)",SNAMTVTZDPUVRA-UHFFFAOYSA-N
DB04757,,"GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE",experimental,,,,,,P2G,,ZINC000012504496,,,,,135464488,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](O[C@@H]12)P(O)(O)=O,"InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1",GKAPYWCOOQBBHV-KXSYMAMXSA-N
DB04758,,2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE),experimental,,,,,,P5B,,ZINC000003989238,,,,,5326883,CCS(=O)(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C26H33N7O5S/c1-2-39(37,38)33-22(13-18-15-30-20-6-4-3-5-19(18)20)26(36)32-21(11-12-23(27)34)25(35)31-14-16-7-9-17(10-8-16)24(28)29/h3-10,15,21-22,30,33H,2,11-14H2,1H3,(H2,27,34)(H3,28,29)(H,31,35)(H,32,36)/t21-,22+/m0/s1",FJGWLOKDOKYXMU-FCHUYYIVSA-N
DB04759,,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)",experimental,,,,,,PB3,,,CHEMBL511942,16595,,,5289109,CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC=CC(C)=C2)=CC=C1,"InChI=1S/C22H22N4O2/c1-15-5-3-7-17(9-15)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-18-8-4-6-16(2)10-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28)",GTBUZLPQANSGGE-UHFFFAOYSA-N
DB04760,,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)",experimental,,,,,,PB4,,ZINC000012504498,CHEMBL514794,16596,,,5289110,CC1=C(F)C=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC(C)=C(F)C=C2)=C1,"InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)",PYFRREJCFXFNRR-UHFFFAOYSA-N
DB04761,,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]",experimental,,,,,,PB5,,ZINC000012504499,CHEMBL468900,16592,,593538,5289111,O=C(NCC1=CC=CN=C1)C1=CC(=NC=N1)C(=O)NCC1=CN=CC=C1,"InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26)",NHPBWKYFMTXWAA-UHFFFAOYSA-N
DB04762,,N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE,experimental,,,,,,PDG,,ZINC000012501129,,,,192276,4369489,CC1=NC=C(COP(O)(O)=O)C(CN[C@H](CCC(O)=O)C(O)=O)=C1O,"InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/t10-/m1/s1",JMRKOGDJNHPMHS-SNVBAGLBSA-N
DB04763,,"1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM",experimental,,,,,,PIU,,ZINC000012504500,CHEMBL1184499,11641,,,5289159,CC1=CC(C)=[N+](CCC2=CC=C(C=C2)S(N)(=O)=O)C(C)=C1,"InChI=1S/C16H21N2O2S/c1-12-10-13(2)18(14(3)11-12)9-8-15-4-6-16(7-5-15)21(17,19)20/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19,20)/q+1",UXBCHTZINZNVRG-UHFFFAOYSA-N
DB04764,,[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE,experimental,,,,,,PM2,,ZINC000012080875,,,,,657077,NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC(CCC2=CC=CC=C2)=CN=C1,"InChI=1S/C26H29N3O/c27-17-21-7-4-8-24(15-21)23-11-13-29(14-12-23)26(30)25-16-22(18-28-19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2",CCLHROFBSWWOQO-UHFFFAOYSA-N
DB04765,,N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE,experimental,,,,,,PMG,,ZINC000012504501,,,,,4369488,CC1=NC=C(COP(O)(O)=O)C(CN[C@@](C)(CCC(O)=O)C(O)=O)=C1O,"InChI=1S/C14H21N2O9P/c1-8-12(19)10(9(5-15-8)7-25-26(22,23)24)6-16-14(2,13(20)21)4-3-11(17)18/h5,16,19H,3-4,6-7H2,1-2H3,(H,17,18)(H,20,21)(H2,22,23,24)/t14-/m0/s1",CNIVMJHNGQZEAY-AWEZNQCLSA-N
DB04767,,N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID,experimental,,,,,,PSM,,ZINC000012504502,,,,,5289214,CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C20H33N5O5S2/c1-4-11-32(29,30)25-17(13(2)26)20(28)24-16(9-10-31-3)19(27)23-12-14-5-7-15(8-6-14)18(21)22/h5-8,13,16-17,25-26H,4,9-12H2,1-3H3,(H3,21,22)(H,23,27)(H,24,28)/t13-,16-,17+/m0/s1",AIIJKVORRBMJHS-RRQGHBQHSA-N
DB04768,,Pyrithiamine Pyrophosphate,experimental,,,,,,PYI,,ZINC000012504503,,,,45395,5327150,CC1=NC=C(C[N+]2=CC=CC(CCO[P@](O)(=O)OP(O)(O)=O)=C2C)C(N)=N1,"InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1",ZHKSTKOYQKNDSJ-UHFFFAOYSA-O
DB04769,,"5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE",experimental,,,,,,QYT,,ZINC000012504504,CHEMBL568150,,,45302,5289247,O=C1NC(=O)\C(S1)=C\C1=CC2=C(C=C1)N=CC=N2,"InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-",SQWZFLMPDUSYGV-POHAHGRESA-N
DB04770,,"O6-(R)-ROSCOVITINE, R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL",experimental,,,,,,R6C,,ZINC000006358639,,10910,,,4369502,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(OCC2=CC=CC=C2)=N1,"InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1",HGADNQLEUZSUEJ-OAHLLOKOSA-N
DB04771,,1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE,experimental,,,,,,RA4,,ZINC000016051710,,,,,5494439,CC(C)C[C@H](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N,"InChI=1S/C23H35N7O5/c1-15(2)14-18(28-20(31)16-7-9-17(10-8-16)30(34)35)22(33)29-13-5-6-19(29)21(32)26-11-3-4-12-27-23(24)25/h7-10,15,18-19H,3-6,11-14H2,1-2H3,(H,26,32)(H,28,31)(H4,24,25,27)/t18-,19-/m0/s1",FIZYZWLGMGGGBJ-OALUTQOASA-N
DB04772,,1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE,experimental,,,,,,RA8,,ZINC000016051709,,,,,5494440,CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N,"InChI=1S/C23H38N6O4S/c1-17(2)15-19(28-34(32,33)16-18-9-4-3-5-10-18)22(31)29-14-8-11-20(29)21(30)26-12-6-7-13-27-23(24)25/h3-5,9-10,17,19-20,28H,6-8,11-16H2,1-2H3,(H,26,30)(H4,24,25,27)/t19-,20-/m0/s1",DSVCYWOHJLRGMK-PMACEKPBSA-N
DB04773,,METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE,experimental,,,,,,RB3,,ZINC000058638370,,,,,49867580,[H][C@](C)(O)CC(=O)O[C@]([H])(C)CC(=O)O[C@]([H])(C)CC(=O)OC,"InChI=1S/C13H22O7/c1-8(14)5-12(16)19-10(3)7-13(17)20-9(2)6-11(15)18-4/h8-10,14H,5-7H2,1-4H3/t8-,9-,10-/m1/s1",WGAHBMKAEWUQKL-OPRDCNLKSA-N
DB04774,,Reidispongiolide A,experimental,,,,,,RGA,,ZINC000169621246,,,,,5289284,CO[C@H](C\C=C\N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](OC)[C@H](C)[C@H]1OC(=O)\C=C\C=C(C)\C[C@H](CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](C[C@H](OC)\C=C\[C@H](C)[C@H](C[C@@H](OC)\C=C\[C@@H]1C)OC)OC)OC,"InChI=1S/C54H87NO13/c1-35-18-16-20-51(58)68-54(41(7)53(66-15)37(3)23-26-46(57)39(5)47(63-12)19-17-27-55(8)34-56)38(4)22-25-43(60-9)32-48(64-13)36(2)21-24-44(61-10)33-49(65-14)40(6)50-30-42(31-52(59)67-50)29-45(28-35)62-11/h16-18,20-22,24-25,27,31,34,36-41,43-45,47-50,53-54H,19,23,26,28-30,32-33H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,35-18+/t36-,37-,38-,39-,40+,41-,43-,44+,45+,47+,48-,49-,50+,53-,54-/m0/s1",LOYDTENNTZZQJM-DIUYYEMASA-N
DB04775,,Reidispongiolide C,experimental,,,,,,RGC,,ZINC000263620951,,,,,52946592,[H]/C1=C([H])\C(=O)O[C@]([H])([C@@]([H])(C)[C@@]([H])(OC)[C@@]([H])(C)CCC(=O)[C@]([H])(C)[C@@]([H])(CCC(O)=O)OC)[C@@]([H])(C)\C([H])=C([H])\[C@@]([H])(C[C@]([H])(OC)[C@@]([H])(C)\C([H])=C([H])\[C@]([H])(C[C@]([H])(OC)[C@@]([H])(C)[C@@]2([H])CC(C[C@@]([H])(C\C(C)=C\1/[H])OC)=CC(=O)O2)OC)OC,"InChI=1S/C52H84O14/c1-32-16-15-17-49(56)66-52(38(7)51(64-14)34(3)20-23-43(53)36(5)44(61-11)24-25-48(54)55)35(4)19-22-40(58-8)30-45(62-12)33(2)18-21-41(59-9)31-46(63-13)37(6)47-28-39(29-50(57)65-47)27-42(26-32)60-10/h15-19,21-22,29,33-38,40-42,44-47,51-52H,20,23-28,30-31H2,1-14H3,(H,54,55)/b17-15+,21-18+,22-19+,32-16+/t33-,34-,35-,36-,37+,38-,40-,41+,42+,44+,45-,46-,47+,51-,52-/m0/s1",QTLSHCJDXCYLJK-VRWAWWQJSA-N
DB04776,,(2R)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9H-purin-2-yl}amino)butan-1-ol,experimental,,,,,,RMC,,ZINC000012504508,CHEMBL1235702,10909,,,5289296,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(=N1)N(C)CC1=CC=CC=C1,"InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1",YPYWONAECUVKHY-MRXNPFEDSA-N
DB04777,78038-43-4,(R)-4-Nitrostyrene oxide,experimental,,,,,,RNO,,ZINC000001020829,,,,,1237170,[O-][N+](=O)C1=CC=C(C=C1)[C@@H]1CO1,"InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1",YKIUTLHCSNCTDZ-QMMMGPOBSA-N
DB04778,,SC45647,experimental,,,,,,SC5,,ZINC000019331258,,,,45412,21158881,C[C@@H](N[C@@H](NCC(O)O)NC1=CC=C(CN)C=C1)C1=CC=CC=C1,"InChI=1S/C18H26N4O2/c1-13(15-5-3-2-4-6-15)21-18(20-12-17(23)24)22-16-9-7-14(11-19)8-10-16/h2-10,13,17-18,20-24H,11-12,19H2,1H3/t13-,18-/m1/s1",LPSXGZAUAOMRNU-FZKQIMNGSA-N
DB04779,,ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE,experimental,,,,,,SEH,,ZINC000012504511,,,,,9600421,CCS\C(CC1=CC=CC=C1)=N/OS(O)(=O)=O,"InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10-",VZFUNHITNWTQFU-KHPPLWFESA-N
DB04780,,Sulfatide,experimental,,,,,,SFT,,ZINC000096006133,,,,76069,5459389,CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,"InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1",QTTLKKFUOJQIRB-JOLIRYOJSA-N
DB04781,13392-69-3,5-hydroxyvaleric acid,experimental,,,,,,SHO,,ZINC000001529525,CHEMBL1205948,,,45564,25945,OCCCCC(O)=O,"InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)",PHOJOSOUIAQEDH-UHFFFAOYSA-N
DB04782,78038-42-3,(S)-4-Nitrostyrene oxide,experimental,,,,,,SNO,,ZINC000001020828,,,,,1237169,[O-][N+](=O)C1=CC=C(C=C1)[C@H]1CO1,"InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m1/s1",YKIUTLHCSNCTDZ-MRVPVSSYSA-N
DB04783,,Sphinxolide B,experimental,,,,,,SPX,,ZINC000263614119,CHEMBL1615234,,,,46937020,CO[C@H](C\C=C\N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](OC)[C@H](C)[C@H]1OC(=O)\C=C\C=C(C)/C[C@H](CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](C[C@H](OC)\C=C\[C@H](C)[C@@H](O)C[C@@H](OC)\C=C\[C@@H]1C)OC)OC,"InChI=1S/C53H85NO14/c1-33-17-15-19-48(58)67-52(39(7)51(66-14)35(3)22-25-44(56)37(5)46(64-12)18-16-26-54(8)32-55)36(4)21-24-41(61-9)30-45(57)34(2)20-23-42(62-10)31-47(65-13)38(6)53-50(60)40(29-49(59)68-53)28-43(27-33)63-11/h15-17,19-21,23-24,26,29,32,34-39,41-43,45-47,50-53,57,60H,18,22,25,27-28,30-31H2,1-14H3/b19-15+,23-20+,24-21+,26-16+,33-17-/t34-,35-,36-,37-,38+,39-,41-,42+,43+,45-,46+,47-,50-,51-,52-,53-/m0/s1",MINVLQAHLUCDIO-GLLDUQGXSA-N
DB04784,1517-69-7,(R)-1-phenylethanol,experimental,,,,,,SS2,,ZINC000000896626,CHEMBL151062,,,45616,637516,C[C@@H](O)C1=CC=CC=C1,"InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1",WAPNOHKVXSQRPX-SSDOTTSWSA-N
DB04785,7229-50-7,Streptolydigin,experimental,,,,,,STD,,ZINC000169363256,CHEMBL1236068,,,45773,54708748,[H][C@@]1([C@H](C)C(=O)NC)N([C@@H]2CC[C@H](O)[C@H](C)O2)C(=O)\C(=C(\O)/C=C/C(/C)=C/[C@@H](C)[C@@]2([H])O[C@@]3(C)O[C@H](C=C[C@@]33CO3)[C@@H]2C)C1=O,"InChI=1S/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28-,31-,32-/m1/s1",KVTPRMVXYZKLIG-NCAOFHFGSA-N
DB04786,145-63-1,Suramin,investigational,,P01CX02,,10256,PA10292,SVR,2966,,CHEMBL265502,50336799,FOURNEAU-309,45906,135973538,CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O,"InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)",FIAFUQMPZJWCLV-UHFFFAOYSA-N
DB04787,304853-42-7,Tanaproget,investigational,"['15937332', '17046384', '16258596']",,,,,T98,,ZINC000006245719,CHEMBL539163,50375821,,,4369524,CN1C(=CC=C1C1=CC=C2NC(=S)OC(C)(C)C2=C1)C#N,"InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)",PYVFWTPEBMRKSR-UHFFFAOYSA-N
DB04788,87913-21-1,Tagetitoxin,experimental,"['2403565', '16518489', '16273103', '7918417']",,,,,TGT,,ZINC000012504512,,,,,5327077,[H]N([H])[C@H]1[C@@H](OC(C)=O)[C@@]2([H])O[C@](CS[C@@]2(O)C(=O)N([H])[H])([C@@H]1OP(O)(O)=O)C(O)=O,"InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1",UVAAUIDYGIWLMB-HGNFPZBQSA-N
DB04789,134-35-0,5-methyltetrahydrofolic acid,"['nutraceutical', 'investigational']",,,,1313966,,,,,CHEMBL1221561,,,15641,135415868,CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2,"InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m0/s1",ZNOVTXRBGFNYRX-ABLWVSNPSA-N
DB04790,,"2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol",experimental,,,,,,TL1,,ZINC000003990712,,,,,5326924,[H][C@]1(CO[C@]2([H])[C@]([H])(CO[C@]12[H])OC1=CC=CC(=C1)C(N)=N)OC1=CC(=CC=C1)C(N)=N,"InChI=1S/C20H22N4O4/c21-19(22)11-3-1-5-13(7-11)27-15-9-25-18-16(10-26-17(15)18)28-14-6-2-4-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1",IBIUTOFGXGGVKQ-XMTFNYHQSA-N
DB04791,,"2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL",experimental,,,,,,TL2,,ZINC000001491358,,,,,5326925,[H][C@@]1(CO[C@]2([H])[C@@]([H])(CO[C@]12[H])OC1=CC=CC(=C1)C(N)=N)OC1=CC=C(C=C1)C(N)=N,"InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1",DKBAWRNTUZFJKV-BSDSXHPESA-N
DB04792,,"2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL",experimental,,,,,,TL3,,ZINC000012504513,,,,,5326926,[H][C@]1(CO[C@]2([H])[C@]([H])(CO[C@]12[H])OC1=CC=C(C=C1)C(N)=N)OC1=CC=C(C=C1)C(N)=N,"InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1",CDEVHSIVANGYRI-XMTFNYHQSA-N
DB04793,,"1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol",experimental,,,,,,TL4,,ZINC000003990709,,,,,5326927,[H]N=C(N([H])[H])C1=CC=C(O[C@@H]2CO[C@]3([H])[C@H](CO[C@]23[H])OC2=CC=CC(=C2)C(=N[H])N([H])[H])C=C1,"InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1",DKBAWRNTUZFJKV-XMTFNYHQSA-N
DB04794,60628-96-8,Bifonazole,"['approved', 'investigational']","['16681817', '10907343', '6372801', '11767287']","['D01AC60', 'D01AC10']",,19295,PA164746464,TMI,370,,CHEMBL277535,50128548,MYCOSPOR,78692,2378,C1=CN(C=N1)C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H",OCAPBUJLXMYKEJ-UHFFFAOYSA-N
DB04795,326-91-0,Thenoyltrifluoroacetone,experimental,11992644,,,,,TTF,,ZINC000100004957,CHEMBL1236433,50248361,,,5601,FC(F)(F)C(=O)CC(=O)C1=CC=CS1,"InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2",TXBBUSUXYMIVOS-UHFFFAOYSA-N
DB04796,163217-09-2,Inecalcitol,investigational,"['18487433', '16039117']",,,,,TX5,,ZINC000012504514,CHEMBL2105107,,INECALCITOL,,6915835,[H][C@@]1(CC[C@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)CC#CC(C)(C)O,"InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1",HHGRMHMXKPQNGF-WNSNRMDMSA-N
DB04797,,Triazolopyridine,experimental,,,,,,TZY,,ZINC000001491604,CHEMBL194322,15414,,,5289514,CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC=C(F)C=C1,"InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3",OVCXRBARSPBVMC-UHFFFAOYSA-N
DB04798,,THIO-ATPA,experimental,,,,,,U1K,,ZINC000000008933,CHEMBL29024,50126761,,,5289518,[H][C@]([NH3+])(CC1=C(SN=C1[O-])C(C)(C)C)C(O)=O,"InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1",FHWOAQCPEFTDOQ-LURJTMIESA-N
DB04799,43152-58-5,"6-Hydroxy-5-undecyl-4,7-benzothiazoledione",experimental,,,,,,UHD,,ZINC000014881301,,,,,,CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O,"InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3",QCWGBMWYLYKEIU-UHFFFAOYSA-N
DB04800,,1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID,experimental,,,,,,UN3,,ZINC000012504518,,13529,,,5327154,CN1N=C(C=C1NS(O)(=O)=O)C1=CC=CC=C1,"InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)",OTZLVSGSRPNRFT-UHFFFAOYSA-N
DB04801,506-17-2,cis-Vaccenic acid,experimental,,,,,,VCA,,ZINC000014881303,CHEMBL1236642,,,50464,5282761,CCCCCC\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",UWHZIFQPPBDJPM-FPLPWBNLSA-N
DB04802,25023-78-3,"D-Erythro-2,3-diaminobutyric acid",experimental,,,,,,VDL,,ZINC000095483612,,,,,14221359,C[C@@H](N)[C@@H](N)C(O)=O,"InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3-/m1/s1",SXGMVGOVILIERA-PWNYCUMCSA-N
DB04803,,Verdoheme,experimental,,,,,,VER,,,,,,,,CC1=CC2=CC3=[N+]4C(=CC5=C(C=C)C(C)=C6OC7=C(C=C)C(C)=C8C=C1N2[Fe]4(N56)N78)C(C)=C3CCC(O)=O,"InChI=1S/C30H28N4O3.Fe/c1-7-20-18(6)29-34-27(20)14-24-17(5)22(9-10-28(35)36)26(32-24)12-19-11-15(3)23(31-19)13-25-16(4)21(8-2)30(33-25)37-29;/h7-8,11-14H,1-2,9-10H2,3-6H3,(H2-2,31,32,33,34,35,36);/q-2;+4/p-1",UBHGDCVUOWXYCX-UHFFFAOYSA-M
DB04804,25023-80-7,"(2S)-2,3-Diaminobutanoic acid",experimental,,,,,,VLL,,ZINC000095483610,,,,,11073394,C[C@@H](N)[C@H](N)C(O)=O,"InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m1/s1",SXGMVGOVILIERA-GBXIJSLDSA-N
DB04805,23152-29-6,Virginiamycin S1,experimental,,,,,,,,ZINC000094313271,CHEMBL1236684,,,46416,5388936,[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=NC=CC=C1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)CCN1C(=O)[C@]([H])(CC1=CC=CC=C1)N(C)C2=O)C1=CC=CC=C1,"InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25-,29-,30+,31+,32+,34+,35+/m1/s1",FEPMHVLSLDOMQC-IYPFLVAKSA-N
DB04806,,(5-BROMO-4-CHLORO-3-INDOLYL)-A-D-MANNOSE,experimental,,,,,,XMM,,ZINC000012153280,,,,75501,5289587,OC[C@H]1O[C@H](OC2=CNC3=C2C(Cl)=C(Br)C=C3)[C@@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1",OPIFSICVWOWJMJ-HAAGFXOZSA-N
DB04807,,4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE,experimental,,,,,,XTG,,ZINC000012504521,,,,,6102810,O[C@@H]1CO[C@H](SC[C@H]2O[C@@H](OC3=CC=C(C=C3)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,"InChI=1S/C17H23NO11S/c19-9-5-27-17(15(24)11(9)20)30-6-10-12(21)13(22)14(23)16(29-10)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12-,13+,14-,15-,16-,17-/m1/s1",HQYVHBCTLFPWRQ-ZMFOIVQCSA-N
DB04808,3947-65-7,Neamine,experimental,,,,,,XXX,,ZINC000004095654,CHEMBL427409,8580,,7489,72392,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1",SYJXFKPQNSDJLI-HKEUSBCWSA-N
DB04809,,SALOPHEN-10-PROPIONATE IRON CHELATE,experimental,,,,,,YOK,,,,,,,,[Fe+4].[H]\C(=N/C1=C(C=C(CCC(O)=O)C=C1)/N=C(\[H])C1=CC=CC=C1[O-])C1=CC=CC=C1[O-],"InChI=1S/C23H20N2O4.Fe/c26-21-7-3-1-5-17(21)14-24-19-11-9-16(10-12-23(28)29)13-20(19)25-15-18-6-2-4-8-22(18)27;/h1-9,11,13-15,26-27H,10,12H2,(H,28,29);/q;+4/p-2/b24-14+,25-15+;",WYZUQFGBWINJOI-KVUHSHOZSA-L
DB04810,,Salophen-10-carboxylate iron chelate,experimental,,,,,,YOL,,,,,,,,[Fe+4].[H]\C(=N/C1=C(C=C(C=C1)C(O)=O)/N=C(\[H])C1=CC=CC=C1[O-])C1=CC=CC=C1[O-],"InChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25;/h1-13,24-25H,(H,26,27);/q;+4/p-2/b22-12+,23-13+;",AYPNHSRYHHHKFU-HPUGBGFMSA-L
DB04811,,Salophen iron chelate,experimental,,,,,,YOM,,,,,,,,[Fe+4].[H]\C(=N/C1=CC=CC=C1\N=C(/[H])C1=CC=CC=C1[O-])C1=CC=CC=C1[O-],"InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+4/p-2/b21-13+,22-14+;",BSPYTUHYTMXMCB-JKBLJYNNSA-L
DB04812,51234-28-7,Benoxaprofen,"['withdrawn', 'approved']",,M01AE06,D03080,,PA166049178,,311,,CHEMBL340978,50088388,,76114,39941,CC(C(O)=O)C1=CC2=C(OC(=N2)C2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)",MITFXPHMIHQXPI-UHFFFAOYSA-N
DB04813,97-18-7,Bithionol,"['withdrawn', 'approved']",,"['D10AB01', 'P02BX01']",D00802,,,B1T,3032,ZINC000000608213,CHEMBL290106,36880,LOROTHIDOL,3131,2406,OC1=C(SC2=C(O)C(Cl)=CC(Cl)=C2)C=C(Cl)C=C1Cl,"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",JFIOVJDNOJYLKP-UHFFFAOYSA-N
DB04814,1233-53-0,Bunamiodyl,withdrawn,,,,,,,3048,ZINC000004215131,CHEMBL2110636,,,135861,6436657,CCCC(=O)NC1=C(I)C=C(I)C(\C=C(/CC)C(O)=O)=C1I,"InChI=1S/C15H16I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h6-7H,3-5H2,1-2H3,(H,19,20)(H,21,22)/b8-6+",CWRBDUIQDIHWJZ-SOFGYWHQSA-N
DB04815,130-26-7,Clioquinol,"['withdrawn', 'vet_approved', 'approved']","['226725', '14162901', '15074181', '185949', '15651505']","['D09AA10', 'G01AC02', 'P01AA52', 'D08AH30', 'P01AA02', 'S02AA05']",,5942,PA449039,CQL,681,ZINC000006409735,CHEMBL497,32188,IODOCHLORHYDROXYQUIN,74460,2788,OC1=C(I)C=C(Cl)C2=C1N=CC=C2,"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",QCDFBFJGMNKBDO-UHFFFAOYSA-N
DB04816,117-10-2,Dantron,"['withdrawn', 'approved', 'investigational']",,"['A06AB03', 'A06AB53', 'A06AG03']",D07107,22293,PA449206,CHZ,3125,ZINC000003860369,CHEMBL53418,11316,,3682,2950,OC1=CC=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H",QBPFLULOKWLNNW-UHFFFAOYSA-N
DB04817,50567-35-6,Metamizole,"['withdrawn', 'approved', 'investigational']",,"['N02BB02', 'N02BB52', 'N02BB72']",D08188,,PA166128206,,,ZINC000001782155,CHEMBL461522,235671,DIPYRONE,62088,3111,CN(CS(O)(=O)=O)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,"InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)",LVWZTYCIRDMTEY-UHFFFAOYSA-N
DB04818,54-92-2,Iproniazid,withdrawn,,N06AF05,D02579,5981,,,1480,ZINC000000001579,CHEMBL92401,29136,,5958,3748,CC(C)NNC(=O)C1=CC=NC=C1,"InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)",NYMGNSNKLVNMIA-UHFFFAOYSA-N
DB04819,91-80-5,Methapyrilene,withdrawn,,R06AC05,,6822,,,1738,ZINC000002510048,CHEMBL1411979,81469,SLEEPWELL,6820,4098,CN(C)CCN(CC1=CC=CS1)C1=NC=CC=C1,"InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3",HNJJXZKZRAWDPF-UHFFFAOYSA-N
DB04820,51-12-7,Nialamide,"['withdrawn', 'approved']","['14272189', '13840714', '5321917']",N06AF02,,7394,,,1907,ZINC000001713761,CHEMBL1256841,163693,,94510,4472,O=C(CCNNC(=O)C1=CC=NC=C1)NCC1=CC=CC=C1,"InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)",NOIIUHRQUVNIDD-UHFFFAOYSA-N
DB04821,24526-64-5,Nomifensine,"['withdrawn', 'approved']",,N06AX04,,7500,,,1958,,CHEMBL273575,50005548,,116225,4528,CN1CC(C2=CC=CC=C2)C2=C(C1)C(N)=CC=C2,"InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3",XXPANQJNYNUNES-UHFFFAOYSA-N
DB04822,468-61-1,Oxeladin,"['withdrawn', 'approved']",,R05DB09,,32626,,,2018,ZINC000003874580,CHEMBL1500276,,,135424,4619,CCN(CC)CCOCCOC(=O)C(CC)(CC)C1=CC=CC=C1,"InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3",IQADUMSPOQKAAO-UHFFFAOYSA-N
DB04823,125-13-3,Oxyphenisatin,"['withdrawn', 'investigational']",,A06AB01,,8136,,,2038,ZINC000004217234,CHEMBL245807,,,135358,31315,OC1=CC=C(C=C1)C1(C(=O)NC2=CC=CC=C12)C1=CC=C(O)C=C1,"InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)",SJDACOMXKWHBOW-UHFFFAOYSA-N
DB04824,77-09-8,Phenolphthalein,"['withdrawn', 'approved']",,A06AB04,D05456,155122,PA450915,FGT,2135,ZINC000003831317,CHEMBL63857,50077844,PHENOLPHTHALEIN,34914,4764,OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1,"InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H",KJFMBFZCATUALV-UHFFFAOYSA-N
DB04825,390-64-7,Prenylamine,"['withdrawn', 'approved']",,"['C01DX52', 'C01DX02']",D02383,8674,,,2261,,CHEMBL24072,50017723,,8397,9801,CC(CC1=CC=CC=C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3",IFFPICMESYHZPQ-UHFFFAOYSA-N
DB04826,86-12-4,Thenalidine,"['withdrawn', 'approved']",,"['R06AX53', 'R06AX03', 'D04AA03']",,,,,2617,ZINC000000002146,CHEMBL2105458,,,135187,27901,CN1CCC(CC1)N(CC1=CC=CS1)C1=CC=CC=C1,"InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3",KLOHYVOVXOUKQI-UHFFFAOYSA-N
DB04827,51-79-6,Urethane,"['withdrawn', 'approved']",,,,1420982,,,,ZINC000000901020,CHEMBL462547,50239974,URETHANE,17967,5641,CCOC(N)=O,"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",JOYRKODLDBILNP-UHFFFAOYSA-N
DB04828,33369-31-2,Zomepirac,withdrawn,,M01AB04,,39994,PA166049188,ZOM,2871,ZINC000000057537,CHEMBL19490,50027952,,35859,5733,CN1C(CC(O)=O)=CC(C)=C1C(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)",ZXVNMYWKKDOREA-UHFFFAOYSA-N
DB04829,50-37-3,Lysergic acid diethylamide,"['withdrawn', 'illicit', 'investigational']","['2374410', '14761703', '14209776', '6873185', '13497365']",,,,,7LD,1621,ZINC000096903803,CHEMBL263881,50241702,LYSERGIDE,6605,5761,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N(CC)CC,"InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1",VAYOSLLFUXYJDT-RDTXWAMCSA-N
DB04830,692-13-7,Buformin,"['withdrawn', 'investigational']","['713413', '7202882']",A10BA03,D00595,,,BFR,423,ZINC000004097425,CHEMBL39736,,BUFORMIN,3209,2468,CCCC\N=C(/N)N=C(N)N,"InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)",XSEUMFJMFFMCIU-UHFFFAOYSA-N
DB04831,40180-04-9,Tienilic acid,withdrawn,7091125,C03CC02,D02386,,,,2658,ZINC000000002166,CHEMBL267744,50090674,,9590,38409,OC(=O)COC1=C(Cl)C(Cl)=C(C=C1)C(=O)C1=CC=CS1,"InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)",AGHANLSBXUWXTB-UHFFFAOYSA-N
DB04832,56775-88-3,Zimelidine,"['withdrawn', 'approved']","['6228368', '2950994']",N06AB02,,,,,2863,ZINC000008099545,CHEMBL37744,50020706,,135357,5365247,CN(C)C\C=C(\C1=CC=C(Br)C=C1)C1=CC=CN=C1,"InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-",OYPPVKRFBIWMSX-SXGWCWSVSA-N
DB04833,72-44-6,Methaqualone,"['withdrawn', 'illicit']",,"['N05CM01', 'N05CX02']",D00557,6823,,,1739,ZINC000002568176,CHEMBL282052,,TR-495,6821,6292,CC1=CC=CC=C1N1C(C)=NC2=CC=CC=C2C1=O,"InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3",JEYCTXHKTXCGPB-UHFFFAOYSA-N
DB04834,465499-11-0,Rapacuronium,"['withdrawn', 'approved']",,,,262100,PA451227,,,ZINC000003943562,CHEMBL1201352,,,135845,5311399,[H][C@@]12C[C@@H]([C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1,"InChI=1S/C37H61N2O4/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2/h6,27-33,35H,1,7-25H2,2-5H3/q+1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-/m0/s1",HTIKWNNIPGXLGM-YLINKJIISA-N
DB04835,376348-65-1,Maraviroc,"['approved', 'investigational']",,J05AX09,,620216,PA164768835,MRV,1635,ZINC000100003902,CHEMBL1201187,50334986,CELSENTRI,63608,,CC(C)C1=NN=C(C)N1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1,"InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1",GSNHKUDZZFZSJB-QYOOZWMWSA-N
DB04836,57574-09-1,Amineptine,"['withdrawn', 'illicit']","['2977081', '2977082', '2977080', '10371658', '2977079']",N06AA19,D07335,17698,,,161,ZINC000002001740,CHEMBL418995,50292474,,32499,34870,OC(=O)CCCCCCNC1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)",ONNOFKFOZAJDHT-UHFFFAOYSA-N
DB04837,791-35-5,Clofedanol,"['withdrawn', 'approved']",,R05DB10,,21254,PA164748134,,585,,CHEMBL1201313,,ANTITUSSIN,135207,2795,CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl,"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3",WRCHFMBCVFFYEQ-UHFFFAOYSA-N
DB04838,456-59-7,Cyclandelate,approved,,C04AX01,,2970,PA164748026,,747,,CHEMBL1480987,50239973,,3988,2893,CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1,"InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3",WZHCOOQXZCIUNC-UHFFFAOYSA-N
DB04839,427-51-0,Cyproterone acetate,"['approved', 'investigational']","['6227191', '4001026', '6237971', '12695529', '4125095']","['G03HB01', 'G03HA01']",D01368,22054,PA10049,CA4,766,ZINC000003814423,CHEMBL139835,50094569,CYPROTERONE ACETATE,50743,9880,[H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H],"InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1",UWFYSQMTEOIJJG-FDTZYFLXSA-N
DB04840,1131-64-2,Debrisoquine,"['approved', 'investigational']",,C02CC04,,3118,PA452616,,788,ZINC000003594299,CHEMBL169901,50122613,DEBRISOQUINE,34665,2966,NC(=N)N1CCC2=CC=CC=C2C1,"InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)",JWPGJSVJDAJRLW-UHFFFAOYSA-N
DB04841,52468-60-7,Flunarizine,approved,,N07CA03,D01303,4459,PA164776636,,1200,ZINC000019360739,CHEMBL30008,50017702,SIBELIUM,135652,941361,FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1,"InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+",SMANXXCATUTDDT-QPJJXVBHSA-N
DB04842,1841-19-6,Fluspirilene,"['approved', 'investigational']",,N05AG01,D02629,4507,PA162565878,,1222,ZINC000000537755,CHEMBL46516,26948,FLUSPIRILENE,93369,3396,FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1,"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)",QOYHHIBFXOOADH-UHFFFAOYSA-N
DB04843,25990-43-6,Mepenzolate,approved,,A03AB12,,107770,PA164746250,,1689,,CHEMBL524004,50377964,,94411,4057,C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1",GKNPSSNBBWDAGH-UHFFFAOYSA-N
DB04844,58-46-8,Tetrabenazine,"['approved', 'investigational']","['9040721', '20869622']",N07XX06,D08575,10390,PA140222719,,2609,,CHEMBL117785,50017701,NITOMAN,64028,6018,COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1,"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3",MKJIEFSOBYUXJB-UHFFFAOYSA-N
DB04845,219989-84-1,Ixabepilone,"['approved', 'investigational']",,L01DC04,D04645,337523,PA165958343,GZX,1517,ZINC000003993846,CHEMBL1201752,,IXEMPRA,63605,6445540,[H][C@]12C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C\C1=CSC(C)=N1,"InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1",FABUFPQFXZVHFB-PVYNADRNSA-N
DB04846,56980-93-9,Celiprolol,"['approved', 'investigational']",20825986,C07AB08,D07660,20498,,,569,,CHEMBL27810,50470842,CELIPROLOL HYDROCHLORIDE,94461,2663,CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O,"InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)",JOATXPAWOHTVSZ-UHFFFAOYSA-N
DB04847,808118-40-3,Roxadustat,"['approved', 'investigational']",,B03XA05,D10593,,,8HO,5371,ZINC000071257465,CHEMBL2338329,50431015,FG4592,132774,11256664,CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2,"InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)",YOZBGTLTNGAVFU-UHFFFAOYSA-N
DB04848,,AZD0947,investigational,,,,,,,,,,,,,,,,
DB04849,288383-20-0,Cediranib,investigational,15899831,L01XE32,,,,,,ZINC000003948085,CHEMBL491473,50331096,AZD-2171 MALEATE,94782,9933475,COC1=CC2=C(C=C1OCCCN1CCCC1)N=CN=C2OC1=C(F)C2=C(NC(C)=C2)C=C1,"InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3",XXJWYDDUDKYVKI-UHFFFAOYSA-N
DB04850,252260-06-3,Posizolid,investigational,"['14576139', '15008947', '12096013', '24189255']",,,,,,,,CHEMBL131854,,AZD-2563,,213049,OC[C@H](O)C(=O)N1CCC(=CC1)C1=C(F)C=C(C=C1F)N1C[C@H](COC2=NOC=C2)OC1=O,"InChI=1S/C21H21F2N3O7/c22-15-7-13(26-9-14(33-21(26)30)11-31-18-3-6-32-24-18)8-16(23)19(15)12-1-4-25(5-2-12)20(29)17(28)10-27/h1,3,6-8,14,17,27-28H,2,4-5,9-11H2/t14-,17+/m1/s1",HBUJYEUPIIJJOS-PBHICJAKSA-N
DB04851,159997-94-1,Biricodar,investigational,"['15504837', '17285598']",,D03128,,PA164924560,,,,CHEMBL350775,50109811,BIRICODAR DICITRATE,135847,3037617,COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1,"InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1",CGVWPQOFHSAKRR-NDEPHWFRSA-N
DB04852,177469-96-4,Implitapide,investigational,"['14585054', '11716851', '16568248']",,,,,,,ZINC000059676426,CHEMBL2105804,,IMPLITAPIDE,,5745206,CC1=NC2=C(C3=CC=CC=C3N2CC2=CC(=CC=C2)[C@H](C2CCCC2)C(=O)N[C@@H](CO)C2=CC=CC=C2)C(C)=C1,"InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1",AMNXBQPRODZJQR-DITALETJSA-N
DB04853,144348-08-3,Binodenoson,investigational,"['17531594', '15812370']",,D03120,,,,,,CHEMBL1950554,50230152,BINODENOSON,,9576912,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=C(N\N=C\C3CCCCC3)N=C12,"InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1",XJFMHMFFBSOEPR-DNZQAUTHSA-N
DB04854,144060-53-7,Febuxostat,approved,"['25501928', '22995295', '20354234', '23286293', '19337428', '31334959', '19447778', '23352248']",M04AA03,D01206,73689,PA165958521,TEI,1137,ZINC000000005423,CHEMBL1164729,50320491,ULORIC,31596,134018,CC(C)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)C#N,"InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)",BQSJTQLCZDPROO-UHFFFAOYSA-N
DB04855,141626-36-0,Dronedarone,approved,"['21267357', '23997577', '25505590', '30019205', '12538616', '19688104', '18565860']",C01BD07,D02537,233698,PA153619853,,4112,ZINC000049933061,CHEMBL184412,50151864,MULTAQ,50659,208898,CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2,"InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3",ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
DB04856,119817-90-2,Dexloxiglumide,investigational,"['16484960', '17112294']",,,,,,834,ZINC000003801027,CHEMBL550781,,DEXLOXIGLUMIDE,135747,65937,CCCCCN(CCCOC)C(=O)[C@@H](CCC(O)=O)NC(=O)C1=CC(Cl)=C(Cl)C=C1,"InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)/t18-/m1/s1",QNQZBKQEIFTHFZ-GOSISDBHSA-N
DB04857,171655-91-7,Brasofensine,investigational,"['11847938', '17908924', '15298067']",,D03153,,,,,,CHEMBL2104184,,,,9614919,[H][C@@]12CC[C@@]([H])(N1C)[C@]([H])(\C=N\OC)[C@H](C2)C1=CC(Cl)=C(Cl)C=C1,"InChI=1S/C16H20Cl2N2O/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3/b19-9+/t11-,12+,13+,16+/m0/s1",NRLIFEGHTNUYFL-QJDHNRDASA-N
DB04858,27314-97-2,Tirapazamine,investigational,"['11894020', '3744945', '15379691']",,D06167,,,,,ZINC000001607808,CHEMBL50882,50226806,SR259075,78887,135413511,NC1=[N+]([O-])C2=C(C=CC=C2)[N+]([O-])=N1,"InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)",ORYDPOVDJJZGHQ-UHFFFAOYSA-N
DB04859,142852-50-4,Zanapezil,investigational,"['15951830', '15158174']",,,,,,,,CHEMBL75013,50037157,,188916,198752,O=C(CCC1CCN(CC2=CC=CC=C2)CC1)C1=CC2=C(CCCCN2)C=C1,"InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2",PMBLXLOXUGVTGB-UHFFFAOYSA-N
DB04860,122970-40-5,Isatoribine,investigational,"['16955681', '16116638']",,,,,,,ZINC000008214713,CHEMBL2105116,,,,135409474,NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)S2,"InChI=1S/C10H12N4O6S/c11-9-12-6-5(7(18)13-9)21-10(19)14(6)8-4(17)3(16)2(1-15)20-8/h2-4,8,15-17H,1H2,(H3,11,12,13,18)/t2-,3-,4-,8-/m1/s1",TZYVRXZQAWPIAB-FCLHUMLKSA-N
DB04861,118457-14-0,Nebivolol,"['approved', 'investigational']","['26528073', '2455841', '25853236', '28509722', '1968323', '16961165', '26177892']","['C07BB12', 'C09DX05', 'C07AB12', 'C07FB12']",D05127,31555,PA151958426,,1887,,CHEMBL434394,84735,BYSTOLIC,64019,71301,OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2,"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2",KOHIRBRYDXPAMZ-UHFFFAOYSA-N
DB04862,198821-22-6,Merimepodib,investigational,10722482,,,,,,,ZINC000003975663,CHEMBL304087,50102249,VX-497,,153241,COC1=C(C=CC(NC(=O)NC2=CC=CC(CNC(=O)O[C@H]3CCOC3)=C2)=C1)C1=CN=CO1,"InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1",JBPUGFODGPKTDW-SFHVURJKSA-N
DB04863,149503-79-7,Lefradafiban,investigational,"['11250974', '12743636']",,,,,,,,CHEMBL2105032,,LEFRADAFIBAN,60634,9576916,[H][C@@]1(COC2=CC=C(C=C2)C2=CC=C(C=C2)C(=N)NC(=O)OC)C[C@@H](CC(=O)OC)C(=O)N1,"InChI=1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1",PGCFXITVMNNKON-ROUUACIJSA-N
DB04864,102518-79-6,Huperzine A,"['experimental', 'approved']","['17305579', '18230054', '14529340', '16364207', '17908041', '16634467', '15956816', '14725492', '12895686']",,,2267703,,HUP,,ZINC000009411213,CHEMBL395280,50199522,,78330,854026,[H][C@@]12CC3=C(C=CC(=O)N3)[C@@](N)(CC(C)=C1)\C2=C\C,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1",ZRJBHWIHUMBLCN-YQEJDHNASA-N
DB04865,26833-87-4,Omacetaxine mepesuccinate,"['approved', 'investigational']","['17613769', '17487741']",L01XX40,D08956,27100,,HMT,4677,ZINC000026011099,CHEMBL46286,50480293,OMAPRO,71019,285033,[H][C@@]1(OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)C(OC)=C[C@]23CCCN2CCC2=CC4=C(OCO4)C=C2[C@]13[H],"InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1",HYFHYPWGAURHIV-JFIAXGOJSA-N
DB04866,55837-20-2,Halofuginone,"['vet_approved', 'investigational']","['22327401', '11099465', '19498172']",,D04413,,,HFG,,ZINC000005784191,CHEMBL1199540,,,,456390,[H][C@]1(O)CCCN[C@]1([H])CC(=O)CN1C=NC2=C(C=C(Cl)C(Br)=C2)C1=O,"InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1",LVASCWIMLIKXLA-CABCVRRESA-N
DB04867,136381-85-6,Lintitript,investigational,9712175,,,,,1OE,,ZINC000000537914,CHEMBL249973,82304,,92624,122077,OC(=O)CN1C(=CC2=CC=CC=C12)C(=O)NC1=NC(=CS1)C1=CC=CC=C1Cl,"InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)",ILNRQFBVVQUOLP-UHFFFAOYSA-N
DB04868,641571-10-0,Nilotinib,"['approved', 'investigational']","['17890849', '17642017', '16775235', '17929114', '17715389']",L01XE08,D08953,662281,PA165958345,NIL,1932,ZINC000006716957,CHEMBL255863,50237710,NILOTINIB HYDROCHLORIDE HYDRATE,52172,644241,CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)=CC(=C1)C(F)(F)F,"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)",HHZIURLSWUIHRB-UHFFFAOYSA-N
DB04869,204697-65-4,Olcegepant,investigational,17665333,,,,,3N6,,ZINC000098052868,CHEMBL207197,50184069,BIBN 4096 BS,,6918509,NCCCC[C@H](NC(=O)[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)NC(=O)N1CCC(CC1)N1CC2=C(NC1=O)C=CC=C2)C(=O)N1CCN(CC1)C1=CC=NC=C1,"InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1",ITIXDWVDFFXNEG-JHOUSYSJSA-N
DB04870,180003-17-2,Oleoyl-estrone,investigational,"['8782737', '17055002']",,,,,,,ZINC000014300189,,,,,6918373,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC(=O)CCCCCCC\C=C/CCCCCCCC)C=C3,"InChI=1S/C36H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-29-20-22-30-28(27-29)19-21-32-31(30)25-26-36(2)33(32)23-24-34(36)37/h10-11,20,22,27,31-33H,3-9,12-19,21,23-26H2,1-2H3/b11-10-/t31-,32-,33+,36+/m1/s1",IMIPDPVHGGHVNH-YWVHRCQQSA-N
DB04871,616202-92-7,Lorcaserin,approved,"['16625817', '18095642']",A08AA11,D06613,1300701,,,4374,ZINC000006733300,CHEMBL360328,50161646,APD356,65353,11658860,C[C@H]1CNCCC2=CC=C(Cl)C=C12,"InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1",XTTZERNUQAFMOF-QMMMGPOBSA-N
DB04872,160492-56-8,Osanetant,investigational,"['15706463', '11757797']",,,,,,,ZINC000003935475,CHEMBL346178,50291261,SR-142801,,219077,CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1,"InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1",DZOJBGLFWINFBF-UMSFTDKQSA-N
DB04873,152811-62-6,Piboserod,investigational,"['15902472', '16168678']",,,,,,,ZINC000001537633,CHEMBL356359,85026,PIBOSEROD,,177336,CCCCN1CCC(CNC(=O)C2=C3OCCCN3C3=CC=CC=C23)CC1,"InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)",KVCSJPATKXABRQ-UHFFFAOYSA-N
DB04874,181630-15-9,Picoplatin,investigational,17594186,,,,,,,,,,,,177358,N.[Cl-].[Cl-].[Pt++].CC1=CC=CC=N1,"InChI=1S/C6H7N.2ClH.H3N.Pt/c1-6-4-2-3-5-7-6;;;;/h2-5H,1H3;2*1H;1H3;/q;;;;+2/p-2",IIMIOEBMYPRQGU-UHFFFAOYSA-L
DB04875,192755-52-5,Pralnacasan,investigational,"['17845807', '13129693', '14610233']",,,,,,,,CHEMBL437526,50189360,,,153270,CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)C1=NC=CC2=CC=CC=C12,"InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1",CXAGHAZMQSCAKJ-WAHHBDPQSA-N
DB04876,274901-16-5,Vildagliptin,"['approved', 'investigational']","['18054733', '19337548', '17244786', '22339447', '18973400']","['A10BH02', 'A10BD08']",,596554,PA165958346,,3642,,CHEMBL142703,11695,VILDAGLIPTIN,135285,6918537,OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N,"InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1",SYOKIDBDQMKNDQ-XWTIBIIYSA-N
DB04877,3371-85-5,Voacamine,experimental,"['17070665', '16273216', '14612920']",,,,PA165958347,,5100,,,,,,11953931,[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC,"InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1",VCMIRXRRQJNZJT-XRMSBCOFSA-N
DB04878,83480-29-9,Voglibose,investigational,"['17509067', '16618980', '16713439', '25546164']",A10BF03,D01665,,PA164752433,VOG,2845,ZINC000003788703,CHEMBL476960,50263044,AO-128,32300,444020,OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1",FZNCGRZWXLXZSZ-CIQUZCHMSA-N
DB04879,212141-54-3,Vatalanib,investigational,"['17584317', '17616257', '16882767']",,,,PA7001,,,ZINC000000007460,CHEMBL101253,4851,CGP-79787,90620,151194,ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1,"InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)",YCOYDOIWSSHVCK-UHFFFAOYSA-N
DB04880,77671-31-9,Enoximone,"['approved', 'investigational']","['16987374', '17696974', '17544886', '17714066']",C01CE03,D04004,49626,PA164768794,,1014,ZINC000009225358,CHEMBL249856,50241379,PERFAN,135010,53708,CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1,"InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)",ZJKNESGOIKRXQY-UHFFFAOYSA-N
DB04881,143664-11-3,Elacridar,investigational,"['17936633', '17932689']",,D03968,,,R0Z,,ZINC000003915436,CHEMBL396298,50206310,LY-335979,,119373,COC1=CC=CC2=C1NC1=C(C=CC=C1C(=O)NC1=CC=C(CCN3CCC4=CC(OC)=C(OC)C=C4C3)C=C1)C2=O,"InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)",OSFCMRGOZNQUSW-UHFFFAOYSA-N
DB04882,174402-32-5,Edotecarin,investigational,"['16819636', '15929804', '17089166', '16308697', '16675581', '16625697']",,D03954,,,,,ZINC000003946372,CHEMBL435191,50086570,J-107088,,9808998,OCC(CO)NN1C(=O)C2=C3C(NC4=C3C=CC(O)=C4)=C3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=C(C=CC(O)=C4)C3=C2C1=O,"InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(33)43)14-4-2-12(38)6-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29-/m1/s1",QMVPQBFHUJZJCS-NTKFZFFISA-N
DB04883,171714-84-4,Darusentan,investigational,"['16965731', '16868834', '17917503']",,,,,,,ZINC000003826221,CHEMBL23261,50108202,DARUSENTAN,,177236,COC1=CC(OC)=NC(O[C@H](C(O)=O)C(OC)(C2=CC=CC=C2)C2=CC=CC=C2)=N1,"InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1",FEJVSJIALLTFRP-LJQANCHMSA-N
DB04884,119356-77-3,Dapoxetine,investigational,"['16962882', '17625501', '17909313', '17322143', '17909314', '17546831', '17052444', '17624269']",G04BX14,D03649,,PA166151992,,4381,ZINC000001482019,CHEMBL2110900,,DAPOXETINE,135962,71353,CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1",USRHYDPUVLEVMC-FQEVSTJZSA-N
DB04885,120635-74-7,Cilansetron,investigational,"['15869320', '15757394', '16842448']",A03AE03,D03495,,,,,,CHEMBL2103778,50231569,,,6918107,CC1=NC=CN1C[C@H]1CCC2=C(C3=CC=CC4=C3N2CCC4)C1=O,"InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1",NCNFDKWULDWJDS-OAHLLOKOSA-N
DB04886,142632-32-4,Calanolide A,investigational,"['12501127', '15074925', '14980631']",,,,,,,ZINC000001645454,CHEMBL267447,50002662,,65552,64972,CCCC1=CC(=O)OC2=C1C1=C(C=CC(C)(C)O1)C1=C2[C@@H](O)[C@H](C)[C@@H](C)O1,"InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1",NIDRYBLTWYFCFV-FMTVUPSXSA-N
DB04887,313682-08-5,Brecanavir,investigational,"['16723584', '17620375', '17261626', '17491001']",,D03253,,,385,,ZINC000003994828,CHEMBL206031,4685,GW640385,,5743186,[H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](CC1=CC=C(OCC2=CSC(C)=N2)C=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1",JORVRJNILJXMMG-OLNQLETPSA-N
DB04888,350992-10-8,Bifeprunox,investigational,"['17659474', '17692841']",,,,,,,ZINC000052971454,CHEMBL218166,50241119,BIFEPRUNOX MESYLATE,177517,208951,O=C1NC2=C(O1)C(=CC=C2)N1CCN(CC2=CC(=CC=C2)C2=CC=CC=C2)CC1,"InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)",CYGODHVAJQTCBG-UHFFFAOYSA-N
DB04889,71195-57-8,Bicifadine,investigational,"['17881661', '17325229']",,D03110,,,,,,CHEMBL511099,50417944,BICIFADINE HYDROCHLORIDE,,47953,CC1=CC=C(C=C1)C12CC1CNC2,"InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3",OFYVIGTWSQPCLF-UHFFFAOYSA-N
DB04890,125602-71-3,Bepotastine,approved,"['16455807', '22035879', '21386912', '16914135']",,D01654,863035,PA164781356,,341,,CHEMBL4877190,,,,2350,OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)",YWGDOWXRIALTES-UHFFFAOYSA-N
DB04891,524067-21-8,Becocalcidiol,investigational,17596167,,,,,VD1,,ZINC000013975113,CHEMBL2104955,,QRX 101,,5289547,CC[C@@](C)([H])[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@](O)([H])C(=C)[C@]([H])(O)C1,"InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1",QSLUXQQUPXBIHH-YHSKWIAJSA-N
DB04892,101246-66-6,Phenserine,investigational,"['17594192', '16248851', '16049844']",,,,,,,ZINC000052968892,CHEMBL74926,10958,,,192706,[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C,"InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1",PBHFNBQPZCRWQP-QUCCMNQESA-N
DB04893,,AZD3409,investigational,"['16969121', '17004112', '17201131']",,,,,,,,,,,,,,,
DB04894,103222-11-3,Vapreotide,"['experimental', 'investigational']","['7909563', '16047258', '7912964', '12691930', '12952505', '1354449', '7511473']",H01CB04,D06281,,PA164743146,,,,CHEMBL3349523,50474224,,,6918026,CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(N)=O)NC(=O)[C@H](N)CC1=CC=CC=C1,"InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46-,47+,48+,49+/m1/s1",SWXOGPJRIDTIRL-DOUNNPEJSA-N
DB04895,222716-86-1,Pegaptanib,"['approved', 'investigational']","['17951898', '17687925', '17693999', '17717967']",S01LA03,,498509,PA164771236,,,,,,,,,,,
DB04896,92623-85-3,Milnacipran,"['approved', 'investigational']","['28798976', '16830129', '26482422', '25345508', '19608694', '8923122', '18494537', '16869117', '10086481', '16762534', '9421348', '16758367', '12369608', '22653299', '3005901', '23506481', '16958942', '17030082', '22419330', '16814690', '17300859', '16932669']",N06AX17,D08222,588250,PA164752812,,1808,,CHEMBL259209,50490618,SAVELLA,135005,11622909,CCN(CC)C(=O)C1(CC1CN)C1=CC=CC=C1,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3",GJJFMKBJSRMPLA-UHFFFAOYSA-N
DB04897,825600-90-6,Lucinactant,"['approved', 'investigational']","['15805381', '16740886', '16452346', '17533176', '15813666', '12802703', '15833063']",,,1293254,,,,,,,,,,,,
DB04898,192939-46-1,Ximelagatran,"['withdrawn', 'approved', 'investigational']","['17516699', '12871538', '14585938', '15339877', '17636192']",B01AE05,,,PA161748474,,2852,ZINC000012504524,CHEMBL522038,50505290,EXANTA,65172,5478933,CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1,"InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1",ZXIBCJHYVWYIKI-PZJWPPBQSA-N
DB04899,124584-08-3,Nesiritide,"['approved', 'investigational']","['17826644', '12070532', '12028606', '12549957', '12668889']",C01DX19,,19666,PA164781045,,1901,,,,,,,,,
DB04900,62304-98-7,Thymalfasin,investigational,"['15546254', '18020580', '20536444', '15813890', '15546253', '15641208', '15482167', '15641207', '16307501', '17600289']",,,38221,PA164748387,,2643,,,,,,,,,
DB04901,357613-77-5,Galiximab,investigational,"['17470451', '15994148']",,D04295,,,,,,,,,,,,,
DB04903,133737-32-3,Pagoclone,investigational,"['11565630', '16702891', '12625036', '16430927']",,,,,,,,CHEMBL2104745,,RP-62955,,131664,CC(C)CCC(=O)CC1N(C(=O)C2=CC=CC=C12)C1=NC2=C(C=CC(Cl)=N2)C=C1,"InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3",HIUPRQPBWVEQJJ-UHFFFAOYSA-N
DB04904,676269-70-8,Amolimogene,investigational,"['14754702', '15073670']",,,,,,,,,,,,,,,
DB04905,98774-23-3,Tesmilifene,investigational,"['2374133', '16413681', '10755318', '16823511', '16217292']",,,,,,,ZINC000000002139,CHEMBL26424,50085260,TESMILIFENE HYDROCHLORIDE,93414,108092,CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1,"InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3",NFIXBCVWIPOYCD-UHFFFAOYSA-N
DB04907,898830-54-1,Sitimagene ceradenovec,investigational,,L01XX37,,,,,,,,,,,,,,
DB04908,167933-07-5,Flibanserin,"['approved', 'investigational']","['12177684', '12890707', '26412054', '11755137', '11243720', '25659981']",G02CX02,D02577,1665509,PA166153431,,5022,ZINC000052716421,CHEMBL231068,50476735,BIMT 17,90865,6918248,FC(F)(F)C1=CC(=CC=C1)N1CCN(CCN2C(=O)NC3=CC=CC=C23)CC1,"InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)",PPRRDFIXUUSXRA-UHFFFAOYSA-N
DB04909,57695-04-2,Sitamaquine,investigational,"['12431016', '14621038']",,,,PA166115581,,,ZINC000001535009,CHEMBL57004,,SITAMAQUINE,,42548,CCN(CC)CCCCCCNC1=CC(OC)=CC2=C(C)C=CN=C12,"InChI=1S/C21H33N3O/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20/h11,13,15-16,22H,5-10,12,14H2,1-4H3",RVAKDGYPIVSYEU-UHFFFAOYSA-N
DB04910,20559-55-1,Oxibendazole,"['vet_approved', 'investigational']","['17580993', '12002632']",,,1009342,,,,ZINC000004685859,CHEMBL1087630,31048,,92907,4622,CCCOC1=CC2=C(C=C1)N=C(NC(=O)OC)N2,"InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",RAOCRURYZCVHMG-UHFFFAOYSA-N
DB04911,171099-57-3,Oritavancin,"['approved', 'investigational']","['18258256', '22431851', '25709561', '15616289', '22664073', '24897083', '15474317', '25673895']",J01XA05,,1547611,,,4678,,CHEMBL1688530,513037,ORITAVANCIN DIPHOSPHATE,82699,101991076,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(NCC5=CC=C(C=C5)C5=CC=C(Cl)C=C5)[C@@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2,"InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1",VHFGEBVPHAGQPI-LXKZPTCJSA-N
DB04912,106344-20-1,Stannsoporfin,investigational,2714739,,,,,,,,,,,,,[Cl-].[Cl-].[Sn+4].CCC1=C2[N-]C(\C=C3/N=C(/C=C4\[N-]\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C,"InChI=1S/C34H38N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);2*1H;/q;;;+4/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;;",LLDZJTIZVZFNCM-UHEVNVKKSA-J
DB04914,,G17DT,investigational,"['16613537', '16568451', '15135483', '17309331', '16246519', '12377966', '11727538', '12749761']",,,,,,,,,,,,,,,
DB04915,81267-65-4,Idronoxil,investigational,"['17672914', '16507219', '16784025', '17904534']",,,,,,,ZINC000001491943,CHEMBL1957038,50419932,IDRONOXIL,,219100,OC1=CC=C(C=C1)C1=CC2=C(OC1)C=C(O)C=C2,"InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2",ZZUBHVMHNVYXRR-UHFFFAOYSA-N
DB04917,112727-80-7,Renzapride,investigational,"['1888816', '1364818', '2338113', '16696817']",,,,,,,,,,,,3052778,COC1=C(C=CC(N)=C1Cl)C(=O)NC1CCN2CCCC1C2,"InChI=1S/C16H22ClN3O2/c1-22-15-11(4-5-12(18)14(15)17)16(21)19-13-6-8-20-7-2-3-10(13)9-20/h4-5,10,13H,2-3,6-9,18H2,1H3,(H,19,21)",YFUAYKVMQVBSNG-UHFFFAOYSA-N
DB04918,209467-52-7,Ceftobiprole,"['approved', 'investigational']","['17488373', '17954698', '17911001', '17470659', '17997257']",,D08885,,,,,ZINC000004424091,CHEMBL520642,,CEFTOBIPROLE,140407,135413542,[H][C@@]1(NC(=O)C(=N/O)\C2=NSC(N)=N2)C(=O)N2C(C(O)=O)=C(CS[C@]12[H])\C=C1/CCN(C1=O)[C@]1([H])CCNC1,"InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1",VOAZJEPQLGBXGO-SDAWRPRTSA-N
DB04919,259074-76-5,Alfimeprase,investigational,11369866,,,,,,,,,,,,,,,
DB04920,167221-71-8,Clevidipine,"['approved', 'investigational']","['16501008', '15492770', '12131552', '12069360']",C08CA16,D08892,233603,,,674,,CHEMBL1237132,50088387,CLEVIPREX,135738,153994,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC,"InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3",KPBZROQVTHLCDU-UHFFFAOYSA-N
DB04921,152074-97-0,Dirucotide,investigational,16879301,,,,,,,,,,,,,,,
DB04923,1270043-60-1,rhThrombin,"['approved', 'investigational']","['16971028', '17660072']",,,,,,,,,,,,,,,
DB04924,122898-67-3,Itopride,investigational,"['16495395', '18019739', '16015691', '17300287', '17965059', '10997945']",A03FA07,,,PA152432599,,1512,ZINC000000537874,CHEMBL2107457,,ITOPRIDE,94809,3792,COC1=CC=C(C=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1,"InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)",QQQIECGTIMUVDS-UHFFFAOYSA-N
DB04925,145137-38-8,Desmoteplase,investigational,"['15569863', '16574922', '11910176', '15879331', '12574572', '16133891', '15529064']",,,,,,,,,,,,,,,
DB04926,219810-59-0,Neramexane,investigational,"['16523403', '17466293', '15496302', '17449306']",,,,,,,ZINC000004217734,CHEMBL2110954,,NERAMEXANE MESYLATE,,6433106,CC1(C)CC(C)(C)CC(C)(N)C1,"InChI=1S/C11H23N/c1-9(2)6-10(3,4)8-11(5,12)7-9/h6-8,12H2,1-5H3",OGZQTTHDGQBLBT-UHFFFAOYSA-N
DB04928,,XP12B,investigational,,,,,,,,,,,,,,,,
DB04929,,DG031,investigational,,,,,,,,,,,,,,,,
DB04930,52645-53-1,Permethrin,"['approved', 'investigational']",17978449,"['P03AC04', 'P03AC54']",D05443,33199,PA164743137,,4152,,CHEMBL1525,,PERMETHRIN,34911,40326,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",RLLPVAHGXHCWKJ-UHFFFAOYSA-N
DB04931,75921-69-6,Afamelanotide,"['approved', 'investigational']","['28063031', '30704898', '26979527']",D02BB02,,2262250,,,4836,,CHEMBL441738,50017181,SCENESSE,136034,44285019,CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O,"InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1",UAHFGYDRQSXQEB-LEBBXHLNSA-N
DB04932,83712-60-1,Defibrotide,"['approved', 'investigational']","['7681375', '16584299', '8511753', '17495522', '8807733', '3754833']",B01AX01,,1311089,PA164749105,,,,,,,,,,,
DB04933,185955-34-4,Eritoran,investigational,15328078,,D04043,,,E55,1044,,CHEMBL501259,50274760,ERITORAN,68609,6912404,CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC,"InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1",BPSMYQFMCXXNPC-MFCPCZTFSA-N
DB04934,129791-92-0,Rifalazil,investigational,"['10923859', '12556219']",,D02550,,,,,ZINC000169677007,CHEMBL236297,50491559,RIFALAZIL,,,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1OC5=CC(=CC(O)=C5N=C1C4=C3C2=O)N1CCN(CC(C)C)CC1,"InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,57-60H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1",UEFHFKKWYKVLDC-HTQYORAHSA-N
DB04936,87-81-0,Tagatose,investigational,11225640,,,,,TAG,,ZINC000002516866,CHEMBL1236183,,TAGATOSE,47693,92092,OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1",BJHIKXHVCXFQLS-PQLUHFTBSA-N
DB04938,128607-22-7,Ospemifene,"['approved', 'investigational']","['14501605', '20429673', '23729558', '14501606', '11457665', '12443837']",G03XC05,D08958,1370971,,,4749,ZINC000001550766,CHEMBL2105395,,OSPHENA,73275,3036505,OCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,"InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-",LUMKNAVTFCDUIE-VHXPQNKSSA-N
DB04941,148465-45-6,Crofelemer,approved,20388859,A07XA06,D03605,1364449,,,,,,,,,,,,
DB04942,94497-51-5,Tamibarotene,investigational,"['16531727', '15563242', '15843826', '9105544', '17925887']",,D01418,,PA164743464,A80,3580,ZINC000000538415,CHEMBL25202,50061625,SY-1425,32181,108143,CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2,"InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)",MUTNCGKQJGXKEM-UHFFFAOYSA-N
DB04943,,LX201,investigational,,,,,,,,,,,,,,,,
DB04944,2627-69-2,Acadesine,investigational,"['8227467', '11720632', '7475138', '12522004']",C01EB13,,,,,37,ZINC000003798074,CHEMBL1551724,,ACADESINE,28498,17513,[H][C@]1(CO)O[C@]([H])([C@H](O)[C@@H]1O)N1C=NC(C(N)=O)=C1N,"InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1",RTRQQBHATOEIAF-UUOKFMHZSA-N
DB04945,9008-02-0,Hemoglobin,"['experimental', 'approved', 'investigational']",,,,,,,,,,,,,,,,
DB04946,133454-47-4,Iloperidone,approved,"['8997630', '7707315', '7562515', '21034370', '16127622', '12861482', '23272794']",N05AX14,D02666,73178,PA161199368,,3294,ZINC000001548097,CHEMBL14376,50034043,FANAPT,65173,71360,COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O,"InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3",XMXHEBAFVSFQEX-UHFFFAOYSA-N
DB04947,180468-34-2,Altropane,investigational,"['9593103', '9593102', '9593101', '9593100', '11687754', '12476968', '11169784']",,,,,,3292,,CHEMBL4301492,,NAV-5001,135696,6440180,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C1=CC=C(F)C=C1)C(=O)OC)N2C\C=C\I,"InChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1",GTQLIPQFXVKRKJ-UNSMHXHVSA-N
DB04948,31036-80-3,Lofexidine,"['approved', 'investigational']","['12653813', '23073725', '23244430', '18161012']",N07BC04,,28863,PA164744510,,1593,,CHEMBL17860,50019646,LOFEXIDINE HYDROCHLORIDE,51368,30668,CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1,"InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)",KSMAGQUYOIHWFS-UHFFFAOYSA-N
DB04949,219685-93-5,Pexelizumab,investigational,"['16863750', '9171898', '10604887', '12925454', '16569534', '15952913']",,,,,,,,,,,,,,,
DB04950,196488-72-9,Ranpirnase,investigational,"['11561684', '17324010', '18019404', '17352247', '16497678', '16548765']",,,,,,,,,,,,,,,
DB04951,53179-13-8,Pirfenidone,"['approved', 'investigational']","['32341751', '12010989', '20050822', '21740331', '31967851', '17906160']",L04AX05,,1592254,,,4224,ZINC000000001958,CHEMBL1256391,50005201,PIRFENIDONE,32016,40632,CC1=CN(C(=O)C=C1)C1=CC=CC=C1,"InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3",ISWRGOKTTBVCFA-UHFFFAOYSA-N
DB04952,76168-82-6,Ramoplanin,investigational,"['17181409', '16880924']",,,,,,,,,,,,73425378,NCCC[C@H]1NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)\C=C/C=C\CC(C)C)[C@@H](OC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](NC1=O)C1=CC=C(C=C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C1=CC=C(O)C=C1)C1=CC(Cl)=C(O)C=C1)C(N)=O)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C119H154ClN21O40/c1-54(2)17-11-9-14-22-82(153)127-77(50-81(123)152)107(166)141-93-99(101(124)160)180-117(176)92(66-33-44-78(151)72(120)49-66)140-102(161)56(5)126-105(164)75(47-55(3)4)128-83(154)51-125-108(167)87(61-23-34-67(147)35-24-61)136-111(170)86(59(8)146)134-113(172)89(65-31-42-71(43-32-65)177-119-100(97(158)95(156)80(53-143)179-119)181-118-98(159)96(157)94(155)79(52-142)178-118)135-104(163)73(20-15-45-121)129-106(165)76(48-60-18-12-10-13-19-60)131-109(168)84(57(6)144)133-114(173)90(63-27-38-69(149)39-28-63)138-115(174)91(64-29-40-70(150)41-30-64)137-110(169)85(58(7)145)132-103(162)74(21-16-46-122)130-112(171)88(139-116(93)175)62-25-36-68(148)37-26-62/h9-14,18-19,22-44,49,54-59,73-77,79-80,84-100,118-119,142-151,155-159H,15-17,20-21,45-48,50-53,121-122H2,1-8H3,(H2,123,152)(H2,124,160)(H,125,167)(H,126,164)(H,127,153)(H,128,154)(H,129,165)(H,130,171)(H,131,168)(H,132,162)(H,133,173)(H,134,172)(H,135,163)(H,136,170)(H,137,169)(H,138,174)(H,139,175)(H,140,161)(H,141,166)/b11-9-,22-14-/t56-,57-,58+,59+,73+,74+,75-,76+,77+,79+,80+,84-,85+,86+,87-,88+,89-,90+,91+,92+,93-,94+,95+,96-,97-,98-,99+,100-,118+,119+/m0/s1",KGZHFKDNSAEOJX-GVRPVQITSA-N
DB04953,150812-12-7,Ezogabine,"['approved', 'investigational']","['12698305', '12545144', '15158023', '23386597', '15007538', '15277926', '17199031', '16034707', '15662042', '22783830']",N03AX21,D09569,1112990,PA144997862,FBX,4181,ZINC000000016154,CHEMBL41355,50143558,WAY-143841,68584,121892,CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1,"InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)",PCOBBVZJEWWZFR-UHFFFAOYSA-N
DB04954,204512-90-3,Tecadenoson,investigational,16230891,,,,,,,,CHEMBL392149,,TECADENOSON,,158795,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H]3CCOC3)N=CN=C12,"InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1",OESBDSFYJMDRJY-BAYCTPFLSA-N
DB04955,258856-56-3,Pumactant,investigational,"['15294062', '12797502', '10791521']",,,,,,,,,,,,,,,
DB04956,156227-98-4,Afelimomab,investigational,"['11534565', '10829362']",L04AB03,,,,,,,,,,,,,,
DB04957,149908-53-2,Azimilide,investigational,"['11720612', '15951467', '16052551', '11573692', '11060832']",,,,,,274,ZINC000299888520,,,,,60939,CN1CCN(CCCCN2C(=O)CN(N=CC3=CC=C(O3)C3=CC=C(Cl)C=C3)C2=O)CC1,"InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3",MREBEPTUUMTTIA-UHFFFAOYSA-N
DB04958,205923-57-5,Epratuzumab,investigational,"['17069520', '18473018', '16864854', '16918261']",,,,,,,,,,,,,,,
DB04959,295371-00-5,Verpasep caltespen,investigational,"['12006932', '16691066', '16240938', '15977424', '11525566']",,,,,,,,,,,,,,,
DB04960,192185-72-1,Tipifarnib,investigational,"['17876043', '16818651']",,,,,JAN,,ZINC000024809155,CHEMBL289228,50370385,R115777,141969,159324,CN1C=NC=C1[C@@](N)(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC(Cl)=CC=C1,"InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1",PLHJCIYEEKOWNM-HHHXNRCGSA-N
DB04961,145918-75-8,Troxacitabine,investigational,"['17371201', '17558697', '15069761', '16609029', '15009060', '15266019']",,,,,LTT,3635,ZINC000001642845,CHEMBL359164,,(-)-ODDC,134886,454194,NC1=NC(=O)N(C=C1)[C@@H]1CO[C@H](CO)O1,"InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1",RXRGZNYSEHTMHC-BQBZGAKWSA-N
DB04962,158318-63-9,Bectumomab,investigational,12537673,,,,,,,,,,,,,,,
DB04963,,rhGAD65,investigational,17367313,,,,,,,,,,,,,,,
DB04964,213327-37-8,Oregovomab,investigational,"['17073521', '16343178', '15268682', '15297171']",,,,,,,,,,,,,,,
DB04967,479-50-5,Lucanthone,investigational,"['9989518', '15330152']",,,,PA164748783,,1616,ZINC000003831012,CHEMBL279014,50030282,LUCANTHONE,51052,10180,CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1,"InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3",FBQPGGIHOFZRGH-UHFFFAOYSA-N
DB04968,,PH94B,investigational,7938363,,,,,,,,,,,,,,,
DB04969,,NV1020,investigational,"['17117895', '12386832', '12091817', '11344122', '17536976', '17107303']",,,,,,,,,,,,,,,
DB04970,132449-46-8,Lesopitron,investigational,"['8959472', '16032484', '9098842', '15331910']",,,,,,,ZINC000001547604,CHEMBL2105051,82365,,,60813,ClC1=CN(CCCCN2CCN(CC2)C2=NC=CC=N2)N=C1,"InChI=1S/C15H21ClN6/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11H2",AHCPKWJUALHOPH-UHFFFAOYSA-N
DB04971,170861-63-9,Reglitazar,investigational,,,,,,,,,CHEMBL293526,,,,154000,CC1=C(CCOC2=CC=C(CC3C(=O)NOC3=O)C=C2)N=C(O1)C1=CC=CC=C1,"InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,18H,11-13H2,1H3,(H,24,25)",QBQLYIISSRXYKL-UHFFFAOYSA-N
DB04972,158382-37-7,Canfosfamide,investigational,"['15173075', '12738715', '16014111']",,,,,,3062,ZINC000085537051,CHEMBL2111086,,TLK-286,135883,5312109,N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(O)=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C26H40Cl4N5O10PS/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41)/t20-,21-,23+/m0/s1",OJLHWPALWODJPQ-QNWVGRARSA-N
DB04973,,LErafAON,investigational,"['14601525', '15014358', '12429653']",,,,,,,,,,,,,,,
DB04974,195514-63-7,Rimiducid,investigational,"['23299847', '22047558', '25389405', '15728125']",,,,,,,,CHEMBL269259,,AP1903,,16135625,CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC(OCC(=O)NCCNC(=O)COC2=CC=CC(=C2)[C@@H](CCC2=CC=C(OC)C(OC)=C2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C78H98N4O20/c1-13-57(53-43-67(93-7)73(97-11)68(44-53)94-8)75(85)81-37-17-15-25-59(81)77(87)101-61(31-27-49-29-33-63(89-3)65(39-49)91-5)51-21-19-23-55(41-51)99-47-71(83)79-35-36-80-72(84)48-100-56-24-20-22-52(42-56)62(32-28-50-30-34-64(90-4)66(40-50)92-6)102-78(88)60-26-16-18-38-82(60)76(86)58(14-2)54-45-69(95-9)74(98-12)70(46-54)96-10/h19-24,29-30,33-34,39-46,57-62H,13-18,25-28,31-32,35-38,47-48H2,1-12H3,(H,79,83)(H,80,84)/t57-,58-,59-,60-,61+,62+/m0/s1",GQLCLPLEEOUJQC-ZTQDTCGGSA-N
DB04975,136470-65-0,Banoxantrone,investigational,"['17482438', '11259326', '10864207', '17340571', '15712360', '17404106']",,,,,,,ZINC000003776950,CHEMBL117391,,BANOXANTRONE,,9955116,C[N+](C)([O-])CCNC1=CC=C(NCC[N+](C)(C)[O-])C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3",YZBAXVICWUUHGG-UHFFFAOYSA-N
DB04976,,M40403,investigational,"['15321736', '12110615', '12583992', '12871831', '12730689', '11181422', '12490600', '12755394', '11734191']",,,,,,,,,,,,,,,
DB04977,137219-37-5,Plitidepsin,investigational,"['9743292', '12529660', '16633717', '10927911', '10410926', '10510788']",L01XX57,,,,,,,CHEMBL451930,,PLITIDEPSIN,90205,9812534,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@H](O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)C(C)=O)[C@@H](C)OC(=O)[C@H](CC1=CC=C(OC)C=C1)N(C)C2=O)[C@@H](C)CC)C(C)C,"InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1",UUSZLLQJYRSZIS-LXNNNBEUSA-N
DB04978,,SP1049C,investigational,15150584,,,,,,,,,,,,,,,
DB04979,,AVR118,investigational,,,,,,,,,,,,,,,,
DB04980,215808-49-4,Lemuteporfin,investigational,16097861,,,,,,,,,,,,,COC(=O)C1C(=CC=C2\C3=C\C4=N\C(=C/C5=C(C)C(CCC(=O)OCCO)=C(N5)\C=C5/N=C(/C=C(\N3)C12C)C(C)=C5CCC(=O)OCCO)\C(C=C)=C4C)C(=O)OC,"InChI=1S/C44H48N4O10/c1-8-26-23(2)32-20-37-30-12-9-29(42(53)55-6)41(43(54)56-7)44(30,5)38(48-37)22-33-25(4)28(11-14-40(52)58-18-16-50)36(47-33)21-35-27(10-13-39(51)57-17-15-49)24(3)31(46-35)19-34(26)45-32/h8-9,12,19-22,41,46,48-50H,1,10-11,13-18H2,2-7H3/b34-19-,36-21-,37-20-,38-22-",PUTVMYIZBFOAFU-MTVFQPQZSA-N
DB04981,,CG7870,investigational,"['15832172', '12522437', '16690359']",,,,,,,,,,,,,,,
DB04982,161832-65-1,Talampanel,investigational,"['11686490', '12581229', '10762498', '16320099', '16377432']",,D02696,,,,,ZINC000003823565,CHEMBL61872,,GYKI-53773,34992,164509,C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1,"InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1",JACAAXNEHGBPOQ-LLVKDONJSA-N
DB04983,211448-85-0,Denufosol,investigational,"['17446337', '12183642', '12407168', '12458155']",,D03685,,,,,ZINC000085540154,CHEMBL507282,50270553,INS37217,,9875516,[H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)N([H])C2=O)O1,"InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1",FPNPSEMJLALQSA-MIYUEGBISA-N
DB04985,848084-83-3,Tigapotide,investigational,"['15289344', '16283486', '16197609']",,,,,,,,,,,,,,,
DB04986,,ZYC300,investigational,15958627,,,,,,,,,,,,,,,
DB04987,,P113D,investigational,,,,,,,,,,,,,,,,
DB04988,,IGN311,investigational,"['17296336', '16370394', '14871842']",,,,,,,,,,,,,,,
DB04989,,Ty800,investigational,8648213,,,,,,,,,,,,,,,
DB04991,,XL784,investigational,,,,,,,,,,,,,,,,
DB04992,,AP5346,investigational,"['17069422', '17308894', '16609041', '16984138']",,,,,,,,,,,,,,,
DB04995,,AT1022,investigational,,,,,,,,,,,,,,,,
DB04996,129580-63-8,Satraplatin,investigational,,L01XA04,,1733681,,,,,,,,85609,123974,N.[Cl-].[Cl-].[Pt+4].CC([O-])=O.CC([O-])=O.NC1CCCCC1,"InChI=1S/C6H13N.2C2H4O2.2ClH.H3N.Pt/c7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h6H,1-5,7H2;2*1H3,(H,3,4);2*1H;1H3;/q;;;;;;+4/p-4",CKNPWBAXEKSCRG-UHFFFAOYSA-J
DB04997,,ATL1102,investigational,,,,,,,,,,,,,,,,
DB04998,301636-59-9,AGRO100,investigational,,,,,,,,,,,,,,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)O[C@@]1([H])C[C@@]([H])(O[C@]1([H])COP(O)(=O)OC1([H])CC([H])(OC1([H])CO)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O,"InChI=1S/C260H322N103O163P25/c1-88-36-338(252(392)329-209(88)366)150-12-99(126(479-150)48-455-540(427,428)515-111-24-163(352-76-283-180-197(352)300-240(266)317-223(180)380)496-143(111)65-470-546(439,440)521-118-31-170(359-83-290-187-204(359)307-247(273)324-230(187)387)492-139(118)61-466-534(415,416)508-104-17-155(343-41-93(6)214(371)334-257(343)397)483-130(104)52-459-544(435,436)519-115-28-167(356-80-287-184-201(356)304-244(270)321-227(184)384)500-147(115)69-474-550(447,448)525-121-34-173(362-86-293-190-207(362)310-250(276)327-233(190)390)494-141(121)63-468-536(419,420)510-106-19-157(345-43-95(8)216(373)336-259(345)399)484-131(106)53-458-542(431,432)517-113-26-165(354-78-285-182-199(354)302-242(268)319-225(182)382)498-145(113)67-472-548(443,444)522-117-30-169(358-82-289-186-203(358)306-246(272)323-229(186)386)490-137(117)59-464-532(411,412)506-102-15-153(341-39-91(4)212(369)332-255(341)395)480-127(102)49-454-538(423,424)513-109-22-161(350-74-281-178-195(350)298-238(264)315-221(178)378)487-134(109)56-452-528(403,404)502-98-11-159(476-123(98)45-364)348-72-279-176-193(348)296-236(262)313-219(176)376)503-529(405,406)453-47-125-100(13-151(478-125)339-37-89(2)210(367)330-253(339)393)504-531(409,410)463-58-136-110(23-162(489-136)351-75-282-179-196(351)299-239(265)316-222(179)379)514-539(425,426)456-51-129-103(16-154(482-129)342-40-92(5)213(370)333-256(342)396)507-533(413,414)465-60-138-119(32-171(491-138)360-84-291-188-205(360)308-248(274)325-231(188)388)523-549(445,446)473-68-146-114(27-166(499-146)355-79-286-183-200(355)303-243(269)320-226(183)383)518-543(433,434)460-55-133-107(20-158(486-133)346-44-96(9)217(374)337-260(346)400)511-537(421,422)469-64-142-122(35-174(495-142)363-87-294-191-208(363)311-251(277)328-234(191)391)526-551(449,450)475-70-148-116(29-168(501-148)357-81-288-185-202(357)305-245(271)322-228(185)385)520-545(437,438)461-54-132-105(18-156(485-132)344-42-94(7)215(372)335-258(344)398)509-535(417,418)467-62-140-120(33-172(493-140)361-85-292-189-206(361)309-249(275)326-232(189)389)524-547(441,442)471-66-144-112(25-164(497-144)353-77-284-181-198(353)301-241(267)318-224(181)381)516-541(429,430)457-50-128-101(14-152(481-128)340-38-90(3)211(368)331-254(340)394)505-530(407,408)462-57-135-108(21-160(488-135)349-73-280-177-194(349)297-237(263)314-220(177)377)512-527(401,402)451-46-124-97(365)10-149(477-124)347-71-278-175-192(347)295-235(261)312-218(175)375/h36-44,71-87,97-174,364-365H,10-35,45-70H2,1-9H3,(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H,415,416)(H,417,418)(H,419,420)(H,421,422)(H,423,424)(H,425,426)(H,427,428)(H,429,430)(H,431,432)(H,433,434)(H,435,436)(H,437,438)(H,439,440)(H,441,442)(H,443,444)(H,445,446)(H,447,448)(H,449,450)(H,329,366,392)(H,330,367,393)(H,331,368,394)(H,332,369,395)(H,333,370,396)(H,334,371,397)(H,335,372,398)(H,336,373,399)(H,337,374,400)(H3,261,295,312,375)(H3,262,296,313,376)(H3,263,297,314,377)(H3,264,298,315,378)(H3,265,299,316,379)(H3,266,300,317,380)(H3,267,301,318,381)(H3,268,302,319,382)(H3,269,303,320,383)(H3,270,304,321,384)(H3,271,305,322,385)(H3,272,306,323,386)(H3,273,307,324,387)(H3,274,308,325,388)(H3,275,309,326,389)(H3,276,310,327,390)(H3,277,311,328,391)/t97-,98?,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123?,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159?,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+/m0/s1",DFYPFJSPLUVPFJ-QJEDTDQSSA-N
DB04999,,MBO7133,investigational,,,,,,,,,,,,,,,,
DB05000,,AeroLEF,investigational,,,,,,,,,,,,,,,,
DB05001,,PSN9301,investigational,,,,,,,,,,,,,,,,
DB05003,59643-91-3,Imexon,investigational,14977852,,,,,,,,CHEMBL146428,,IMEXON,,68791,NC1=NC(=O)N2CC12,"InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)",BIXBBIPTYBJTRY-UHFFFAOYSA-N
DB05004,123583-37-9,Peptide YY (3-36),investigational,"['17566112', '18185065']",,,,,,,,,,,,,,,
DB05006,503605-66-1,Adecatumumab,investigational,,,,,,,,,,,,,,,,
DB05009,250386-15-3,Apadenoson,investigational,16524538,,,,,,,,CHEMBL1950649,50364063,BMS068645,,,CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N=C2N)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC,"InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1",FLEVIENZILQUKB-XTWQNQIISA-N
DB05010,123690-78-8,SGS-742,investigational,,,,,,,,ZINC000026982268,CHEMBL112797,50032982,SGS742,,130021,CCCCP(O)(=O)CCCN,"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)",ONNMDRQRSGKZCN-UHFFFAOYSA-N
DB05011,943980-47-0,Taberminogene vadenovec,investigational,,,,,,,,,,,,,,,,
DB05012,701909-57-1,XEN-2174,investigational,"['15661433', '16154696']",,,,,,,,,,,,,,,
DB05013,75567-37-2,Ingenol mebutate,approved,,D06BX02,D09393,1242806,,,4226,ZINC000056898854,,,,66913,46174141,[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(CO)=C[C@@]([H])(C4=O)[C@]1([H])C2(C)C,"InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1",VDJHFHXMUKFKET-UXMMOKKRSA-N
DB05014,921206-68-0,XL999,investigational,,,,,,,,,,,,,,,,
DB05015,866323-14-0,Belinostat,"['approved', 'investigational']","['28090369', '23382909', '25864732', '27813438']",L01XX49,,1543543,,5OG,,ZINC000003818726,CHEMBL408513,25150,BELINOSTAT,61076,6918638,ONC(=O)\C=C\C1=CC=CC(=C1)S(=O)(=O)NC1=CC=CC=C1,"InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+",NCNRHFGMJRPRSK-MDZDMXLPSA-N
DB05016,775304-57-9,Ataluren,"['approved', 'investigational']","['17096300', '27702906', '27791186', '17450125', '17389552']",M09AX03,D09323,,PA166151864,,4872,ZINC000013831791,CHEMBL256997,,ATALUREN,94805,11219835,OC(=O)C1=CC=CC(=C1)C1=NOC(=N1)C1=CC=CC=C1F,"InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)",OOUGLTULBSNHNF-UHFFFAOYSA-N
DB05017,,YSIL6,investigational,,,,,,,,,,,,,,,,
DB05018,108147-54-2,Migalastat,"['approved', 'investigational']",26252393,A16AX14,,2054252,,DGJ,5110,ZINC000001636704,CHEMBL110458,50163440,MIGALASTAT HYDROCHLORIDE,135923,176077,OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1",LXBIFEVIBLOUGU-DPYQTVNSSA-N
DB05019,,LC16M8,investigational,"['16698998', '15753319', '17052815', '16140764']",,,,,,,,,,,,,,,
DB05020,441785-26-8,Besifovir dipivoxil,investigational,17302367,,,,,,,ZINC000003989271,CHEMBL1652128,,LB-80380,,6480442,CC(C)(C)C(=O)OCOP(=O)(COC1(CN2C=NC3=CN=C(N)N=C23)CC1)OCOC(=O)C(C)(C)C,"InChI=1S/C22H34N5O8P/c1-20(2,3)17(28)31-12-34-36(30,35-13-32-18(29)21(4,5)6)14-33-22(7-8-22)10-27-11-25-15-9-24-19(23)26-16(15)27/h9,11H,7-8,10,12-14H2,1-6H3,(H2,23,24,26)",JLKJXDOWBVVABZ-UHFFFAOYSA-N
DB05021,,EMZ702,investigational,,,,,,,,,,,,,,,,
DB05022,69408-81-7,Amonafide,investigational,,,,1440270,,,,ZINC000004214836,CHEMBL428676,50033894,AS 1413,94661,50515,CN(C)CCN1C(=O)C2=CC=CC3=CC(N)=CC(C1=O)=C23,"InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3",UPALIKSFLSVKIS-UHFFFAOYSA-N
DB05023,,ATL1101,investigational,,,,,,,,,,,,,,,,
DB05024,,CTA018,investigational,,,,,,,,,,,,,,,,
DB05025,289893-25-0,Arimoclomol,investigational,,,,,,,,ZINC000252516369,CHEMBL4760607,,,,208924,O[C@@H](CON=C(Cl)C1=C[N+]([O-])=CC=C1)CN1CCCCC1,"InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/t13-/m1/s1",SGEIEGAXKLMUIZ-CYBMUJFWSA-N
DB05027,,DG041,investigational,,,,,,,,,,,,,,,,
DB05029,1391-36-2,Lancovutide,investigational,,,,,,,,,,,,,101611009,CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3CNCCCC[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS[C@H]4C)C(=O)N[C@@H](CS[C@H]2C)C(=O)N3)NC1=O)[C@@H](O)C(O)=O)C(O)=O,"InChI=1S/C89H125N23O25S3/c1-44(2)67-85(131)107-60-42-138-41-59-80(126)106-61-43-140-46(4)69(87(133)103-56(76(122)108-67)35-49-23-12-7-13-24-49)109-77(123)55(34-48-21-10-6-11-22-48)102-83(129)62-27-18-32-112(62)66(116)39-96-73(119)54(33-47-19-8-5-9-20-47)101-79(125)58(104-81(61)127)37-94-31-17-15-26-53(88(134)135)100-86(132)68(110-78(124)57(36-64(93)114)97-65(115)38-95-84(130)70(111-82(60)128)71(117)89(136)137)45(3)139-40-50(91)72(118)98-51(25-14-16-30-90)74(120)99-52(75(121)105-59)28-29-63(92)113/h5-13,19-24,44-46,50-62,67-71,94,117H,14-18,25-43,90-91H2,1-4H3,(H2,92,113)(H2,93,114)(H,95,130)(H,96,119)(H,97,115)(H,98,118)(H,99,120)(H,100,132)(H,101,125)(H,102,129)(H,103,133)(H,104,127)(H,105,121)(H,106,126)(H,107,131)(H,108,122)(H,109,123)(H,110,124)(H,111,128)(H,134,135)(H,136,137)/t45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,67-,68+,69+,70-,71+/m0/s1",SFWLDKQAUHFCBS-AOEYGKNYSA-N
DB05032,,REV131,investigational,,,,,,,,,,,,,,,,
DB05033,,INCB7839,investigational,,,,,,,,,,,,,,,,
DB05034,118812-69-4,Ularitide,investigational,"['17107879', '17257428']",,,,,,,,CHEMBL2103920,,ULARITIDE,,16132416,CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O,"InChI=1S/C145H234N52O44S3/c1-11-72(6)112-137(238)171-60-106(208)172-73(7)113(214)177-86(40-41-103(146)205)122(223)190-95(63-198)116(217)170-61-108(210)175-88(51-70(2)3)114(215)169-62-109(211)176-100(133(234)187-92(56-104(147)206)127(228)193-97(65-200)130(231)186-91(54-77-27-16-13-17-28-77)126(227)180-82(31-20-45-163-142(153)154)119(220)189-94(139(240)241)55-78-36-38-79(204)39-37-78)68-243-244-69-101(134(235)185-90(53-76-25-14-12-15-26-76)115(216)168-58-105(207)167-59-107(209)174-80(29-18-43-161-140(149)150)117(218)182-87(42-50-242-10)123(224)188-93(57-110(212)213)128(229)181-85(124(225)196-112)34-23-48-166-145(159)160)195-132(233)99(67-202)194-131(232)98(66-201)192-120(221)83(32-21-46-164-143(155)156)178-118(219)81(30-19-44-162-141(151)152)179-125(226)89(52-71(4)5)184-129(230)96(64-199)191-121(222)84(33-22-47-165-144(157)158)183-135(236)102-35-24-49-197(102)138(239)74(8)173-136(237)111(148)75(9)203/h12-17,25-28,36-39,70-75,80-102,111-112,198-204H,11,18-24,29-35,40-69,148H2,1-10H3,(H2,146,205)(H2,147,206)(H,167,207)(H,168,216)(H,169,215)(H,170,217)(H,171,238)(H,172,208)(H,173,237)(H,174,209)(H,175,210)(H,176,211)(H,177,214)(H,178,219)(H,179,226)(H,180,227)(H,181,229)(H,182,218)(H,183,236)(H,184,230)(H,185,235)(H,186,231)(H,187,234)(H,188,224)(H,189,220)(H,190,223)(H,191,222)(H,192,221)(H,193,228)(H,194,232)(H,195,233)(H,196,225)(H,212,213)(H,240,241)(H4,149,150,161)(H4,151,152,162)(H4,153,154,163)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)/t72-,73-,74-,75+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,111-,112-/m0/s1",IUCCYQIEZNQWRS-DWWHXVEHSA-N
DB05035,355129-15-6,Eprotirome,investigational,,,,,,64L,,ZINC000001494227,CHEMBL2035874,50385105,EPROTIROME,,10299876,CC(C)C1=C(O)C=CC(OC2=C(Br)C=C(NC(=O)CC(O)=O)C=C2Br)=C1,"InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)",VPCSYAVXDAUHLT-UHFFFAOYSA-N
DB05036,,Grn163l,investigational,"['16707619', '16140956', '17175117', '16319992', '18066830']",,,,,,,,,,,,,,,
DB05038,209733-45-9,Anatibant,investigational,"['12225655', '10596852']",,,,,,,ZINC000053261548,CHEMBL2107725,,,138828,9831652,CC1=CC(C)=C2C=CC=C(OCC3=C(Cl)C=CC(=C3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NCCCNC(=O)C3=CC=C(C=C3)C(N)=N)C2=N1,"InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1",XUHBBTKJWIBQMY-MHZLTWQESA-N
DB05039,312753-06-3,Indacaterol,approved,"['17135231', '23641160', '22648561']","['R03AC18', 'R03AL12', 'R03AL04', 'R03AK14']",D09318,1114326,PA165958348,,4183,ZINC000035801098,CHEMBL1095777,50318159,INDACATEROL ACETATE,68575,6918554,CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1,"InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1",QZZUEBNBZAPZLX-QFIPXVFZSA-N
DB05040,,MVA3000,investigational,,,,,,,,,,,,,,,,
DB05042,,SGS518,investigational,,,,,,,,,,,,,,,,
DB05043,,GSK159797,investigational,,,,,,,,,,,,,,,,
DB05044,,PSN357,investigational,,,,,,,,,,,,,,,,
DB05045,348119-84-6,Obinepitide,investigational,,,,,,,,,,,,,131704295,CC[C@H](C)[C@H](N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(O)=O)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCC(O)=N)N=C(O)[C@H](C)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCC(O)=N)N=C(O)[C@H](CCC(O)=O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(O)=N)N=C(O)[C@H](CC(O)=O)N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(O)=N[C@@H](CC(O)=N)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](CCC(O)=N)C(O)=N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N,"InChI=1S/C185H288N54O55S2/c1-20-91(10)144(176(289)230-125(83-137(191)250)166(279)218-116(64-74-296-19)161(274)224-121(77-89(6)7)169(282)234-145(97(16)240)177(290)220-110(32-24-68-204-185(199)200)154(267)215-112(54-59-134(188)247)157(270)213-108(30-22-66-202-183(195)196)155(268)222-118(147(192)260)78-99-37-45-103(242)46-38-99)233-170(283)123(80-101-41-49-105(244)50-42-101)227-156(269)109(31-23-67-203-184(197)198)212-153(266)107(29-21-65-201-182(193)194)214-164(277)119(75-87(2)3)225-168(281)127(85-142(258)259)223-150(263)94(13)206-148(261)93(12)208-162(275)122(79-100-39-47-104(243)48-40-100)226-160(273)111(53-58-133(187)246)211-149(262)95(14)207-152(265)115(63-73-295-18)217-158(271)113(55-60-135(189)248)216-159(272)114(56-61-139(252)253)219-172(285)131-35-28-72-239(131)181(294)146(98(17)241)235-151(264)96(15)209-163(276)124(82-136(190)249)228-167(280)126(84-141(256)257)210-138(251)86-205-171(284)129-33-25-70-237(129)180(293)128(81-102-43-51-106(245)52-44-102)231-175(288)143(90(8)9)232-174(287)132-36-27-71-238(132)179(292)117(57-62-140(254)255)221-165(278)120(76-88(4)5)229-173(286)130-34-26-69-236(130)178(291)92(11)186/h37-52,87-98,107-132,143-146,240-245H,20-36,53-86,186H2,1-19H3,(H2,187,246)(H2,188,247)(H2,189,248)(H2,190,249)(H2,191,250)(H2,192,260)(H,205,284)(H,206,261)(H,207,265)(H,208,275)(H,209,276)(H,210,251)(H,211,262)(H,212,266)(H,213,270)(H,214,277)(H,215,267)(H,216,272)(H,217,271)(H,218,279)(H,219,285)(H,220,290)(H,221,278)(H,222,268)(H,223,263)(H,224,274)(H,225,281)(H,226,273)(H,227,269)(H,228,280)(H,229,286)(H,230,289)(H,231,288)(H,232,287)(H,233,283)(H,234,282)(H,235,264)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,193,194,201)(H4,195,196,202)(H4,197,198,203)(H4,199,200,204)/t91-,92-,93-,94-,95-,96-,97+,98+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1",LDUARVOCMXITCM-ILMFCTMOSA-N
DB05046,,V1003,investigational,,,,,,,,,,,,,,,,
DB05047,867276-98-0,CX-717,"['illicit', 'investigational']","['16104830', '16370917']",,,,,,,,CHEMBL4791762,,CX-717,,3323368,O=C(N1CCOCC1)C1=CC2=NON=C2C=C1,"InChI=1S/C11H11N3O3/c15-11(14-3-5-16-6-4-14)8-1-2-9-10(7-8)13-17-12-9/h1-2,7H,3-6H2",KFRQROSRKSVROW-UHFFFAOYSA-N
DB05048,573981-31-4,Cannabinor,investigational,,,,,,,,ZINC000034377258,CHEMBL3234035,50006254,,,10174045,[H][C@]12C[C@]([H])(C(=O)C[C@@H]1C1=C(O)C=C(C=C1OC(=O)\C=C\C(O)=O)C(C)(C)CCCCCC)C2(C)C,"InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1",GSTZHANFXAKPSE-MXTREEOPSA-N
DB05049,,DDP733,investigational,,,,,,,,,,,,,,,,
DB05050,,ADL5859,investigational,,,,,,,,,,,,,,,,
DB05051,,BZL101,investigational,17111207,,,,,,,,,,,,,,,
DB05052,,MF101,investigational,17095596,,,,,,,,,,,,,,,
DB05053,882757-24-6,MB-07803,investigational,,,,,,,,,CHEMBL4297400,,MB 07803,,24770445,CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)C1=CC=C(O1)C1=C(SC(N)=N1)C(=O)C(C)(C)C,"InChI=1S/C24H37N4O7PS/c1-10-33-19(30)23(6,7)27-36(32,28-24(8,9)20(31)34-11-2)15-13-12-14(35-15)16-17(37-21(25)26-16)18(29)22(3,4)5/h12-13H,10-11H2,1-9H3,(H2,25,26)(H2,27,28,32)",CTKZZUXRWBCFEI-UHFFFAOYSA-N
DB05054,,AN0128,investigational,16997550,,,,,,,,,,,,,,,
DB05055,,RG2417,investigational,,,,,,,,,,,,,,,,
DB05056,,EGS21,investigational,,,,,,,,,,,,,,,,
DB05057,84611-23-4,Erdosteine,"['approved', 'investigational']",,R05CB15,,24305,,,1041,,CHEMBL1697744,,ERDOSTEINE,135014,65632,OC(=O)CSCC(=O)NC1CCSC1=O,"InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)",QGFORSXNKQLDNO-UHFFFAOYSA-N
DB05059,,ILY101,investigational,,,,,,,,,,,,,,,,
DB05060,,R1626,investigational,,,,,,,,,,,,,,,,
DB05061,,GFT14,investigational,,,,,,,,,,,,,,,,
DB05063,444890-41-9,Mitoquinone,investigational,17642004,,,,,,,,CHEMBL1229093,,MITOQUINONE,,11388332,COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=C(C)C1=O,"InChI=1S/C37H44O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3/q+1",OIIMUKXVVLRCAF-UHFFFAOYSA-N
DB05064,,INCB13739,investigational,,,,,,,,,,,,,,,,
DB05068,,ATG002,investigational,,,,,,,,,,,,,,,,
DB05069,,ATG003,investigational,,,,,,,,,,,,,,,,
DB05070,,ADX10059,investigational,,,,,,,,,,,,,,,,
DB05071,,ACE393,investigational,,,,,,,,,,,,,,,,
DB05072,,AV608,investigational,,,,,,,,,,,,,,,,
DB05075,867331-82-6,TG-100801,investigational,,,,,,,,ZINC000029136020,CHEMBL403989,97971,,,11973736,CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl,"InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)",JMGXJHWTVBGOKG-UHFFFAOYSA-N
DB05076,65646-68-6,Fenretinide,investigational,"['17955489', '18066548', '15197471']",,D04162,,,FEN,,ZINC000003871023,CHEMBL7301,50092055,MCN-R-1967,42588,5288209,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)NC1=CC=C(O)C=C1,"InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+",AKJHMTWEGVYYSE-FXILSDISSA-N
DB05077,,SLV319,investigational,,,,,,,,,,,,,,,,
DB05078,,AER001,investigational,,,,,,,,,,,,,,,,
DB05079,,HY10275,investigational,,,,,,,,,,,,,,,,
DB05080,,OBE101,investigational,,,,,,,,,,,,,,,,
DB05081,,JB991,investigational,,,,,,,,,,,,,,,,
DB05082,,ARX201,investigational,,,,,,,,,,,,,,,,
DB05084,247062-33-5,Abaloparatide,"['approved', 'investigational']","['27920805', '28159062']",,,1921069,,,5232,,,,,,,,,
DB05085,,TM30339,investigational,,,,,,,,,,,,,,,,
DB05087,38398-32-2,Ganaxolone,investigational,"['17634060', '17199022']",,,,,,,ZINC000003824281,CHEMBL1568698,50369240,GANAXOLONE,177658,6918305,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1",PGTVWKLGGCQMBR-FLBATMFCSA-N
DB05088,16330-92-0,Tetrathiomolybdate,investigational,,,,,,4SM,,,,,,30703,,[S-][Mo]([S-])(=S)=S,InChI=1S/Mo.4S/q;;;2*-1,CXVCSRUYMINUSF-UHFFFAOYSA-N
DB05089,,VPM4001,investigational,,,,,,,,,,,,,,,,
DB05090,,FP0011,investigational,,,,,,,,,,,,,,,,
DB05091,,M0002,investigational,,,,,,,,,,,,,,,,
DB05092,,CDP323,investigational,,,,,,,,,,,,,,,,
DB05093,,AX200,investigational,,,,,,,,,,,,,,,,
DB05095,265114-23-6,Cimicoxib,investigational,"['15481993', '17335184']",,,,,,,ZINC000001494105,CHEMBL435381,50131593,CIMICOXIB,76127,213053,COC1=C(F)C=C(C=C1)C1=C(Cl)N=CN1C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)",KYXDNECMRLFQMZ-UHFFFAOYSA-N
DB05096,,LY2140023,investigational,,,,,,,,,,,,,,,,
DB05097,219649-07-7,Labetuzumab,investigational,"['17570017', '16170184']",,,,,,,,,,,,,,,
DB05098,169494-85-3,Leptin,investigational,"['18165128', '18162515']",,,1441651,,,,,,,,,,,,
DB05099,9046-56-4,Ancrod,"['approved', 'investigational']","['16801067', '17126719']",B01AD09,D02938,772,,,,,,,,,,,,
DB05100,192329-42-3,Prinomastat,investigational,"['10415735', '11060800', '12594807']",,D03797,,,PN0,,ZINC000000580328,CHEMBL75094,50082556,AG-3340,138885,466151,CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)C1=CC=C(OC2=CC=NC=C2)C=C1,"InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1",YKPYIPVDTNNYCN-INIZCTEOSA-N
DB05101,339186-68-4,Matuzumab,investigational,"['18033688', '17671148', '17126894']",,,,,,,,,,,,,,,
DB05102,223537-30-2,Rupintrivir,investigational,"['15673742', '17908951']",,,,,,,ZINC000003919807,CHEMBL20210,11243,,,6440352,CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@H](C(C)C)NC(=O)C1=NOC(C)=C1)CC1=CC=C(F)C=C1,"InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1",CAYJBRBGZBCZKO-BHGBQCOSSA-N
DB05103,122110-53-6,AN-9,investigational,"['12114414', '15301879']",,,,,,,ZINC000001545115,CHEMBL100014,,,,60748,CCCC(=O)OCOC(=O)C(C)(C)C,"InChI=1S/C10H18O4/c1-5-6-8(11)13-7-14-9(12)10(2,3)4/h5-7H2,1-4H3",GYKLFBYWXZYSOW-UHFFFAOYSA-N
DB05104,153205-46-0,Asimadoline,investigational,"['15496313', '15233705', '12631557', '17900994']",,,,,,,ZINC000003800054,CHEMBL1190199,50366356,EMD-61753,,179340,CN([C@H](CN1CC[C@H](O)C1)C1=CC=CC=C1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1",JHLHNYVMZCADTC-LOSJGSFVSA-N
DB05105,153168-05-9,Pleconaril,investigational,"['12627933', '15571999']",J05AX06,,,,W11,4690,ZINC000001537619,CHEMBL29609,50111469,WIN-63843,,1684,CC1=NOC(CCCOC2=C(C)C=C(C=C2C)C2=NOC(=N2)C(F)(F)F)=C1,"InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3",KQOXLKOJHVFTRN-UHFFFAOYSA-N
DB05106,,IR208,investigational,,,,,,,,,,,,,,,,
DB05107,28507-02-0,16-Bromoepiandrosterone,investigational,"['11366467', '10842861', '17297029', '10851716', '17002607']",,,,,,,ZINC000003975381,CHEMBL445472,50388517,HE2000,,71613,[H][C@@]12C[C@@H](Br)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C19H29BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1",CWVMWSZEMZOUPC-JUAXIXHSSA-N
DB05108,,EHT899,investigational,,,,,,,,,,,,,,,,
DB05109,114899-77-3,Trabectedin,"['approved', 'investigational']","['18021177', '17927287', '16922593', '19515014', '18000504']",L01CX01,,1716278,PA165958349,ECT,4633,ZINC000150338708,CHEMBL450449,,ET-743,84050,108150,[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4C=C(OC)C(O)=C5)C(=O)OC[C@H](N1[C@@H](O)[C@@H]1CC4=CC(C)=C(OC)C(O)=C4[C@H]2N1C)C1=C2OCOC2=C(C)C(OC(C)=O)=C31,"InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1",PKVRCIRHQMSYJX-AIFWHQITSA-N
DB05110,,VIR201,investigational,,,,,,,,,,,,,,,,
DB05111,326859-36-3,Fontolizumab,investigational,"['16492717', '15912969', '16507585']",,,,,,,,,,,,,,,
DB05112,,AP5280,investigational,,,,,,,,,,,,,,,,
DB05113,,105AD7,investigational,"['11384090', '15798769', '17121873', '12398121']",,,,,,,,,,,,,,,
DB05114,,EHC18,investigational,,,,,,,,,,,,,,,,
DB05115,,NN344,investigational,"['17391154', '16362452']",,,,,,,,,,,,,,,
DB05116,232925-18-7,Thymectacin,investigational,"['12477050', '11179438', '12853888', '12859954', '11914638', '16247976', '12628478']",,,,,,,,,,,,6440764,COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O)OC1=CC=CC=C1,"InChI=1S/C21H25BrN3O9P/c1-13(20(28)31-2)24-35(30,34-15-6-4-3-5-7-15)32-12-17-16(26)10-18(33-17)25-11-14(8-9-22)19(27)23-21(25)29/h3-9,11,13,16-18,26H,10,12H2,1-2H3,(H,24,30)(H,23,27,29)/b9-8+/t13-,16-,17+,18+,35?/m0/s1",CFBLUORPOFELCE-BACVZHSASA-N
DB05117,,IGN301,investigational,,,,,,,,,,,,,,,,
DB05118,,R1204,investigational,,,,,,,,,,,,,,,,
DB05119,412950-08-4,Rilapladib,investigational,,,,,,,,ZINC000003973276,CHEMBL2104981,50205805,RILAPLADIB,,9918381,COCCN1CCC(CC1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C(SCC2=C(F)C(F)=CC=C2)=CC(=O)C2=C1C=CC=C2,"InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3",NNBGCSGCRSCFEA-UHFFFAOYSA-N
DB05120,,AT1391,investigational,,,,,,,,,,,,,,,,
DB05121,791073-97-7,1D09C3,investigational,"['16452241', '17409435']",,,,,,,,,,,,,,,
DB05122,,R1295,investigational,,,,,,,,,,,,,,,,
DB05123,183293-82-5,Gemcabene,investigational,"['16353929', '12943873']",,,,,,,ZINC000001893031,CHEMBL2110686,,GEMCABENE CALCIUM,,157692,CC(C)(CCCCOCCCCC(C)(C)C(O)=O)C(O)=O,"InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)",SDMBRCRVFFHJKR-UHFFFAOYSA-N
DB05124,,ARC183,investigational,,,,,,,,,,,,,,,,
DB05125,,SC12267,investigational,,,,,,,,,,,,,,,,
DB05126,,PYM50018,investigational,,,,,,,,,,,,,,,,
DB05127,,ANA971,investigational,,,,,,,,,,,,,,,,
DB05128,227472-48-2,Aminocandin,investigational,17391387,,,,,,,,,,,84073,11679714,CCCCCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)N[C@H]1CC(CNC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)CC1=CC=C(O)C=C1)NCCN,"InChI=1S/C56H79N9O14/c1-4-5-6-7-8-9-24-79-41-20-16-36(17-21-41)35-12-14-37(15-13-35)50(72)60-42-26-38(58-23-22-57)28-59-54(76)48-49(71)32(2)29-65(48)55(77)43(31-66)61-53(75)47(45(70)25-34-10-18-39(68)19-11-34)63-52(74)44-27-40(69)30-64(44)56(78)46(33(3)67)62-51(42)73/h10-21,32-33,38,40,42-49,58,66-71H,4-9,22-31,57H2,1-3H3,(H,59,76)(H,60,72)(H,61,75)(H,62,73)(H,63,74)/t32-,33+,38?,40+,42-,43-,44-,45+,46-,47-,48-,49-/m0/s1",UMNFJRNUJIBDSK-NMVZEWDOSA-N
DB05129,97068-30-9,Elsamitrucin,investigational,8150873,,,,,,,ZINC000004215770,CHEMBL2106409,,BMY-28090,,5362259,CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(C(=O)OC6=C5C(=C(C)C=C6)C(=O)O3)=C4O)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O,"InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1",MGQRRMONVLMKJL-KWJIQSIXSA-N
DB05130,,INCB3284,investigational,,,,,,,,,,,,,,,,
DB05131,,TTP889,investigational,"['16906775', '17272750']",,,,,,,,,,,,,,,
DB05132,,ND1251,investigational,,,,,,,,,,,,,,,,
DB05133,,VP025,investigational,,,,,,,,,,,,,,,,
DB05134,75747-14-7,Tanespimycin,investigational,,,,,,,,ZINC000100014666,CHEMBL109480,50008057,NSC-330507,64153,6505803,[H]/C1=C([H])/[C@]([H])(OC)[C@@]([H])(OC(O)=N)C(C)=C([H])[C@]([H])(C)[C@@]([H])(O)[C@]([H])(C[C@]([H])(C)CC2=C(NCC=C)C(=O)C=C(N=C(O)\C(C)=C\1/[H])C2=O)OC,"InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1",AYUNIORJHRXIBJ-TXHRRWQRSA-N
DB05135,69598-88-5,Vibriolysin,investigational,"['17147655', '8245109']",,,,,,,,,,,,,,,
DB05136,648904-28-3,Bavituximab,investigational,17785577,,,,,,,,,,,,,,,
DB05137,90-69-7,Lobeline,investigational,"['16825297', '17368966']",,D02364,6464,,L0B,,ZINC000000001624,CHEMBL122270,50080818,LOBELINE,48723,101616,CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C1=CC=CC=C1,"InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1",MXYUKLILVYORSK-HBMCJLEFSA-N
DB05138,,AdPEDF,investigational,"['16374334', '11727737']",,,,,,,,,,,,,,,
DB05139,,CR002,investigational,"['12937299', '16510766', '17308324']",,,,,,,,,,,,,,,
DB05140,,RAV12,investigational,"['17363480', '17875727']",,,,,,,,,,,,,,,
DB05141,,LY2181308,investigational,,,,,,,,,,,,,,,,
DB05142,,ND7001,investigational,,,,,,,,,,,,,,,,
DB05143,288847-35-8,OXI-4503,investigational,"['17695520', '18038290', '16818709', '18043126']",,,,,,,ZINC000003994214,CHEMBL1205402,,OXI-4503,,6918546,[H]\C(=C(/[H])C1=C(OP(O)(O)=O)C(OP(O)(O)=O)=C(OC)C=C1)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C18H22O12P2/c1-25-13-8-7-12(16(29-31(19,20)21)18(13)30-32(22,23)24)6-5-11-9-14(26-2)17(28-4)15(10-11)27-3/h5-10H,1-4H3,(H2,19,20,21)(H2,22,23,24)/b6-5-",GSOXMQLWUDQTNT-WAYWQWQTSA-N
DB05144,,PEV3A,investigational,,,,,,,,,,,,,,,,
DB05145,,TH0318,investigational,,,,,,,,,,,,,,,,
DB05146,1123889-88-2,XL820,investigational,23344264,,,,,,,,,,,,,,,
DB05147,,CYT997,investigational,,,,,,,,,,,,,,,,
DB05148,,CG0070,investigational,16397056,,,,,,,,,,,,,,,
DB05149,,XL844,investigational,17245119,,,,,,,,,,,,,,,
DB05150,,CAD106,investigational,,,,,,,,,,,,,,,,
DB05151,,TST10088,investigational,,,,,,,,,,,,,,,,
DB05152,503431-81-0,NGX267,investigational,,,,,,,,ZINC000013816318,CHEMBL4297408,,NGX-267,,10013505,CC[C@@H]1SC2(CCN(C)CC2)NC1=O,"InChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1",PHOZOHFUXHPOCK-QMMMGPOBSA-N
DB05154,187235-37-6,Pretomanid,approved,"['29661865', '30833432', '29187395', '28584788', '29572459', '31254295', '19641733', '18079742', '29259747']",,,2198359,,,5344,ZINC000003821675,CHEMBL227875,50363237,PA-824,,456199,[O-][N+](=O)C1=CN2C[C@@H](COC2=N1)OCC1=CC=C(OC(F)(F)F)C=C1,"InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1",ZLHZLMOSPGACSZ-NSHDSACASA-N
DB05155,228546-92-7,CR665,investigational,,,,,,,,,,,,,25030387,CCCC[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC1=CC=NC=C1,"InChI=1S/C36H49N9O4/c1-2-3-15-30(34(48)43-29(16-10-19-41-36(38)39)33(47)42-24-27-17-20-40-21-18-27)44-35(49)31(23-26-13-8-5-9-14-26)45-32(46)28(37)22-25-11-6-4-7-12-25/h4-9,11-14,17-18,20-21,28-31H,2-3,10,15-16,19,22-24,37H2,1H3,(H,42,47)(H,43,48)(H,44,49)(H,45,46)(H4,38,39,41)/t28-,29-,30-,31-/m1/s1",DBOGGOVKHSCMNB-OMRVPHBLSA-N
DB05156,,SL017,investigational,,,,,,,,,,,,,,,,
DB05157,,KC706,investigational,,,,,,,,,,,,,,,,
DB05158,,PM02734,investigational,,,,,,,,,,,,,,,,
DB05159,,CCX915,investigational,16320328,,,,,,,,,,,,,,,
DB05160,917121-25-6,Topsalysin,investigational,,,,,,,,,,,,,,,,
DB05161,,Elafin,investigational,,,,,,,,,,,,,,,,
DB05163,,PV903,investigational,,,,,,,,,,,,,,,,
DB05164,,CMLVAX100,investigational,15721470,,,,,,,,,,,,,,,
DB05165,,LY2275796,investigational,,,,,,,,,,,,,,,,
DB05166,,APD668,investigational,,,,,,,,,,,,,,,,
DB05167,,PDPSC18,investigational,,,,,,,,,,,,,,,,
DB05168,742092-03-1,Vintafolide,investigational,"['17551919', '17483358']",L01CA06,,,,,4831,,CHEMBL3039521,,VINTAFOLIDE,134736,122173811,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CNC3=NC(N)=NC(=O)C3=N2)C=C1)C(O)=O)C(O)=O)[C@]1(C[C@@]2([H])C[N@](C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC,"InChI=1S/C86H109N21O26S2/c1-6-82(129)35-42-36-85(78(127)132-5,64-47(21-26-106(39-42)41-82)46-12-8-9-13-50(46)95-64)49-30-48-57(34-58(49)131-4)105(3)75-84(48)23-27-107-25-11-22-83(7-2,74(84)107)76(125)86(75,130)77(126)103-104-81(128)133-28-29-134-135-40-56(73(123)124)100-70(119)55(33-62(113)114)99-69(118)54(32-61(111)112)98-67(116)51(14-10-24-90-79(87)88)96-68(117)53(31-60(109)110)94-59(108)20-19-52(72(121)122)97-66(115)43-15-17-44(18-16-43)91-37-45-38-92-65-63(93-45)71(120)102-80(89)101-65/h8-9,11-13,15-18,22,30,34,38,42,51-56,74-76,91,95,125,129-130H,6-7,10,14,19-21,23-29,31-33,35-37,39-41H2,1-5H3,(H,94,108)(H,96,117)(H,97,115)(H,98,116)(H,99,118)(H,100,119)(H,103,126)(H,104,128)(H,109,110)(H,111,112)(H,113,114)(H,121,122)(H,123,124)(H4,87,88,90)(H3,89,92,101,102,120)/t42-,51-,52-,53-,54-,55-,56-,74-,75+,76+,82-,83+,84+,85-,86-/m0/s1",KUZYSQSABONDME-QRLOMCMNSA-N
DB05169,,AT9283,investigational,18163976,,,,,,,ZINC000038995988,CHEMBL495727,27087,AT 9283,,135398495,,,
DB05170,,Benzimate,investigational,,,,,,,,,,,,,,,,
DB05171,870843-42-8,E-2012,investigational,,,,,,GZR,,ZINC000034997331,CHEMBL1224151,50364033,,,11560787,[H]\C(C1=CC(OC)=C(C=C1)N1C=NC(C)=C1)=C1\CCCN(C1=O)[C@@]([H])(C)C1=CC=C(F)C=C1,"InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1",PUOAETJYKQITMO-LANLRWRYSA-N
DB05172,,AT3022,investigational,,,,,,,,,,,,,,,,
DB05173,,PTC299,investigational,,,,,,,,,,,,,,,,
DB05174,,CX501,investigational,,,,,,,,,,,,,,,,
DB05177,,DG051,investigational,,,,,,,,,,,,,,,,
DB05178,,DLO6001,investigational,,,,,,,,,,,,,,,,
DB05179,,DLO6002,investigational,,,,,,,,,,,,,,,,
DB05180,,LX6171,investigational,,,,,,,,,,,,,,,,
DB05181,,BTA798,investigational,,,,,,,,,,,,,,,,
DB05182,,AS1409,investigational,,,,,,,,,,,,,,,,
DB05183,,MLN0415,investigational,,,,,,,,,,,,,,,,
DB05184,,XL228,investigational,,,,,,,,,,,,,,,,
DB05185,,TRO19622,investigational,17496168,,,,,,,ZINC000100657483,,,,,9930827,,,
DB05186,502487-67-4,SQ-109,investigational,"['17242141', '16432511', '17691942', '16751637']",,,,,,,ZINC000039959796,CHEMBL561057,50388398,SQ109,,5274428,CC(C)=CCC\C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3,"InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+",JFIBVDBTCDTBRH-REZTVBANSA-N
DB05187,923978-27-2,Elafibranor,investigational,,,,,,,,ZINC000114643710,CHEMBL3707395,50502541,GFT505,,9864881,CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1,"InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+",AFLFKFHDSCQHOL-IZZDOVSWSA-N
DB05188,934760-90-4,KD3010,investigational,,,,,,,,,,,,,75412604,CC1=CC=C(C=C1)S(O)(=O)=O.[H]C1(CC2=C(C1)C(=CC=C2)S(=O)(=O)N1[C@@]([H])(C)CN(C[C@@]1([H])C)C1=CC=C(OC(F)(F)F)C=C1)C(O)=O,"InChI=1S/C23H25F3N2O5S.C7H8O3S/c1-14-12-27(18-6-8-19(9-7-18)33-23(24,25)26)13-15(2)28(14)34(31,32)21-5-3-4-16-10-17(22(29)30)11-20(16)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,14-15,17H,10-13H2,1-2H3,(H,29,30);2-5H,1H3,(H,8,9,10)/t14-,15+,17?;",SUTQDFLDQUPTKX-QVLMFNNZSA-N
DB05189,,EPC2407,investigational,,,,,,,,,,,,,,,,
DB05190,,XL281,investigational,,,,,,,,,,,,,,,,
DB05191,,Atl146e,investigational,"['16524538', '16140198']",,,,,,,,,,,,,,,
DB05192,,MB07811,investigational,17878314,,,,,,,,,,,,,,,
DB05194,,KB002,investigational,,,,,,,,,,,,,,,,
DB05195,,ADC4022,investigational,,,,,,,,,,,,,,,,
DB05196,,ACR325,investigational,,,,,,,,,,,,,,,,
DB05197,64506-49-6,Sofalcone,investigational,15786539,,,,,,2456,ZINC000003831462,CHEMBL1441961,,SOFALCONE,135732,5282219,CC(C)=CCOC1=CC=C(\C=C\C(=O)C2=C(OCC(O)=O)C=C(OCC=C(C)C)C=C2)C=C1,"InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+",GFWRVVCDTLRWPK-KPKJPENVSA-N
DB05198,,CYC116,investigational,,,,,,,,,,,,,,,,
DB05199,,LX1031,investigational,,,,,,,,,,,,,,,,
DB05200,,AT2220,investigational,,,,,,,,,,,,,,,,
DB05201,,V24343,investigational,,,,,,,,,,,,,,,,
DB05202,934868-74-3,Egaptivon pegol,investigational,18025536,,,,,,,,,,,,,,,
DB05203,,SPP1148,investigational,,,,,,,,,,,,,,,,
DB05204,,XL418,investigational,,,,,,,,,,,,,,,,
DB05205,,CX157,investigational,,,,,,,,,,,,,,,,
DB05207,,SD118,investigational,,,,,,,,,,,,,,,,
DB05209,909402-77-3,Rozrolimupab,investigational,,,,,,,,,,,,,,,,
DB05210,,SF1126,investigational,,,,,,,,,,,,,,,,
DB05211,,PS386113,investigational,,,,,,,,,,,,,,,,
DB05212,1001100-69-1,HE3286,investigational,17911478,,,,,,,,CHEMBL4297284,,TRIOLEX,,16739648,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C21H30O3/c1-4-21(24)10-7-16-18-15(6-9-20(16,21)3)19(2)8-5-14(22)11-13(19)12-17(18)23/h1,12,14-18,22-24H,5-11H2,2-3H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1",JJKOQZHWYLMASZ-FJWDNACWSA-N
DB05214,,KD7040,investigational,,,,,,,,,,,,,,,,
DB05217,,GMX1777,investigational,,,,,,,,,,,,,,,,
DB05218,,PN0621,investigational,,,,,,,,,,,,,,,,
DB05219,906673-24-3,Crisaborole,"['approved', 'investigational']","['27417017', '24852768', '28492291', '27335049']",D11AH06,D10873,1865953,,,5201,ZINC000169748244,CHEMBL484785,50277665,CRISABOROLE,134677,44591583,OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2,"InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2",USZAGAREISWJDP-UHFFFAOYSA-N
DB05220,1028486-01-2,Alisertib,investigational,,,,,PA166165015,A5B,,ZINC000040939534,CHEMBL483158,50277545,MLN8237,125628,24771867,COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C2=C(OC)C=CC=C2F)=CC=C1C(O)=O,"InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)",ZLHFILGSQDJULK-UHFFFAOYSA-N
DB05222,,KB001,investigational,,,,,,,,,,,,,,,,
DB05223,929016-96-6,Pracinostat,investigational,,,,,,,,ZINC000043152558,CHEMBL1851943,50105330,SB 939,95071,49855250,CCCCC1=NC2=C(C=CC(\C=C\C(=O)NO)=C2)N1CCN(CC)CC,"InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+",JHDKZFFAIZKUCU-ZRDIBKRKSA-N
DB05224,,REP8839,investigational,"['16189105', '16189106']",,,,,,,,,,,,,,,
DB05225,,AM103,investigational,,,,,,,,,,,,,,,,
DB05226,,BTA9881,investigational,,,,,,,,,,,,,,,,
DB05227,,APD791,investigational,,,,,,,,,,,,,,,,
DB05228,,RDEA806,investigational,,,,,,,,,,,,,,,,
DB05229,88430-50-6,Beraprost,investigational,"['17620284', '11790158']",B01AC19,,,,,343,,CHEMBL1207745,,BERAPROST SODIUM,135633,6917951,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC(O)=O)=CC=C1,"InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1",CTPOHARTNNSRSR-APJZLKAGSA-N
DB05230,,AC3056,investigational,,,,,,,,,,,,,,,,
DB05232,4368-28-9,Tetrodotoxin,investigational,,,,,,,,,,,,,44325289,[H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO,"InChI=1S/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2?,3?,4?,5-,6?,7-,9?,10?,11?/m0/s1",SLBCPBUVHCASIJ-UFHSVNPDSA-O
DB05233,,AP1081,investigational,,,,,,,,,,,,,,,,
DB05234,,LGD2941,investigational,,,,,,,,ZINC000014968224,CHEMBL467888,18522,,,16750192,C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1,"InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1",HWLLYFXDDGGHOE-BCSUUIJWSA-N
DB05235,,NRP409,investigational,,,,,,,,,,,,,,,,
DB05236,,ReN001,investigational,17981710,,,,,,,,,,,,,,,
DB05237,,rhMBL,investigational,,,,,,,,,,,,,,,,
DB05239,934660-93-2,Cobimetinib,"['approved', 'investigational']","['26730180', '26384788', '26365290', '26451002', '26452567']",L01XE38,D10405,1722365,PA166160044,EUI,5046,ZINC000060325170,CHEMBL2146883,50391802,RG 7420,90851,16222096,OC1(CN(C1)C(=O)C1=C(NC2=C(F)C=C(I)C=C2)C(F)=C(F)C=C1)[C@@H]1CCCCN1,"InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1",BSMCAPRUBJMWDF-KRWDZBQOSA-N
DB05241,,XL765,investigational,,,,,,,,,,,,,,,,
DB05242,,NUC B1000,investigational,,,,,,,,,,,,,,,,
DB05243,,XL019,investigational,,,,,,,,,,,,,,,,
DB05244,,G4544,investigational,,,,,,,,,,,,,,,,
DB05245,22199-08-2,Silver sulfadiazine,"['vet_approved', 'approved']","['8029478', '15823649', '15825409']","['D06BA51', 'D06BA01', 'G01AE10']",D00433,9793,PA164744951,,,,CHEMBL1382627,,,9142,452254,[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1,"InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1",UEJSSZHHYBHCEL-UHFFFAOYSA-N
DB05246,77-41-8,Methsuximide,approved,"['7640152', '10802770', '8777552']",N03AD03,D00404,47858,PA164743145,,1758,,CHEMBL697,,,6846,6476,CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1,"InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3",AJXPJJZHWIXJCJ-UHFFFAOYSA-N
DB05249,,FavId,investigational,,,,,,,,,,,,,,,,
DB05252,66441-23-4,Fenoxaprop-ethyl,investigational,,,,,,,,,CHEMBL37932,,,5008,47938,CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1,"InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3",PQKBPHSEKWERTG-UHFFFAOYSA-N
DB05253,198414-31-2,Telapristone acetate,investigational,,,,,,,,,CHEMBL2105694,,PROELLEX,188804,9806190,[H][C@@]12CC[C@](OC(C)=O)(C(=O)COC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C31H39NO5/c1-19(33)37-31(28(35)18-36-5)15-14-27-25-12-8-21-16-23(34)11-13-24(21)29(25)26(17-30(27,31)2)20-6-9-22(10-7-20)32(3)4/h6-7,9-10,16,25-27H,8,11-15,17-18H2,1-5H3/t25-,26+,27-,30-,31-/m0/s1",JVBGZFRPTRKSBB-MJBQOYBXSA-N
DB05254,9004-09-5,Fibrinolysin,investigational,6226244,"['B01AD05', 'B06AA02']",,4388,,,,,,,,,,,,
DB05255,753449-67-1,Ronacaleret,investigational,,,,,,,,,CHEMBL1198855,50346036,RONACALERET,,10345214,CC(C)(CC1CC2=C(C1)C=CC=C2)NC[C@@H](O)COC1=CC(CCC(O)=O)=CC(F)=C1F,"InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1",FQJISUPNMFRIFZ-HXUWFJFHSA-N
DB05257,,Neocartilage,investigational,17718275,,,,,,,,,,,,,,,
DB05258,,Interferon alfa,investigational,12610152,,,,,,,,,,,,,,,
DB05259,28704-27-0,Glatiramer,"['approved', 'investigational']","['15371592', '11501229', '9548401', '17920545']",L03AX13,,214582,PA449760,,,,,,,,,,,
DB05260,13494-90-1,Gallium nitrate,"['approved', 'investigational']","['15651176', '17308060', '16613662', '15605917']",,,25544,PA164781198,,,,,,,,61635,[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1,CHPZKNULDCNCBW-UHFFFAOYSA-N
DB05262,2465-59-0,Oxypurinol,investigational,"['16382292', '16135657', '16214034']",,D02365,,,141,,ZINC000084462581,CHEMBL859,50423777,OXIPURINOL,28315,135398752,O=C1NC2=C(C=NN2)C(=O)N1,"InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)",HXNFUBHNUDHIGC-UHFFFAOYSA-N
DB05263,4952-56-1,Caprospinol,investigational,16787656,,,,,,,ZINC000097971833,,,,,16394575,[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)OC(=O)CCCCC,"InChI=1S/C33H52O4/c1-6-7-8-9-29(34)36-24-13-15-31(4)23(18-24)10-11-25-26(31)14-16-32(5)27(25)19-28-30(32)22(3)33(37-28)17-12-21(2)20-35-33/h10,21-22,24-28,30H,6-9,11-20H2,1-5H3/t21-,22+,24+,25-,26+,27+,28+,30+,31+,32+,33-/m1/s1",VMOZFSWFUBLCNN-AAPULDEBSA-N
DB05264,,NPI 32101,investigational,17436088,,,,,,,,,,,,,,,
DB05265,33159-27-2,Ecabet,investigational,,,D07885,,PA165958350,,981,ZINC000003779720,CHEMBL2104585,,ECABET,135593,65781,[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O,"InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1",IWCWQNVIUXZOMJ-MISYRCLQSA-N
DB05266,50847-11-5,Ibudilast,investigational,,R03DC04,,,PA165958351,AVL,1406,ZINC000000004234,CHEMBL19449,50240404,IBUDILAST,31684,3671,CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C,"InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3",ZJVFLBOZORBYFE-UHFFFAOYSA-N
DB05268,,iCo-007,investigational,,,,,,,,,,,,,,,,
DB05271,99755-59-6,Rotigotine,approved,"['19947805', '17935234', '22808933', '22320451']",N04BC09,D05768,616739,PA166165149,,2407,ZINC000000004028,CHEMBL1303,50123626,SPM 962,135351,59227,CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1,"InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1",KFQYTPMOWPVWEJ-INIZCTEOSA-N
DB05273,122575-21-7,Samarium (153Sm) lexidronam,"['approved', 'investigational']","['10983757', '20864370', '17167764']",V10BX02,,177906,,,,,,,,,118987134,[153Sm+3].OP(O)(=O)CN(CCN(CP(O)([O-])=O)CP(O)([O-])=O)CP(O)([O-])=O,"InChI=1S/C6H20N2O12P4.Sm/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);/q;+3/p-3/i;1+3",JSTADIGKFYFAIY-GJNDDOAHSA-K
DB05276,,Hepatitis B immune globulin,"['approved', 'investigational']",9425940,J06BB04,,26744,,,,,,,,,,,,
DB05282,,MCC,investigational,,,,,,,,,,,,,,,,
DB05284,,CA4P,investigational,18024794,,,,,,,,,,,,100154,COC1=CC(=CC(OC)=C1OC)[C@@H](O)CC1=CC(O)=C(OC)C=C1,"InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m0/s1",LGZKGOGODCLQHG-ZDUSSCGKSA-N
DB05285,,SB-249553,investigational,,,,,,,,,,,,,,,,
DB05288,7753-60-8,Anecortave acetate,investigational,18046876,,D01733,,,,217,ZINC000003931050,CHEMBL2106613,,ANECORTAVE,31215,111332,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3/t17-,19+,21+,22+,23+/m1/s1",YUWPMEXLKGOSBF-GACAOOTBSA-N
DB05289,51543-40-9,Tarenflurbil,investigational,,,,,,FLR,,ZINC000000008667,CHEMBL190083,50172473,TARENFLURBIL,38666,92337,C[C@@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1",SYTBZMRGLBWNTM-SNVBAGLBSA-N
DB05290,,SPP 301,investigational,17190377,,,,,,,,,,,,,,,
DB05292,,IDM-1,investigational,,,,,,,,,,,,,,,,
DB05293,,IDM-2,investigational,16164034,,,,,,,,,,,,,,,
DB05294,443913-73-3,Vandetanib,approved,"['14763134', '23640345', '23562906']",L01XE12,D06407,1098413,PA166118341,ZD6,4178,ZINC000053683345,CHEMBL24828,21,ZACTIMA,49960,3081361,COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1,"InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)",UHTHHESEBZOYNR-UHFFFAOYSA-N
DB05295,104121-92-8,Eldecalcitol,investigational,15972580,,,,,ED9,5169,ZINC000003934328,CHEMBL4297608,,ELDECALCITOL,73927,6918141,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O,"InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1",FZEXGDDBXLBRTD-AYIMTCTASA-N
DB05296,246252-04-0,Motexafin lutetium,investigational,"['16650871', '11348871']",,,,,,,,,,,,,[Lu+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(\C=C3/N=C(/C=N/C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C4=N\C(=C/2)\C(CCCO)=C4C)C(C)=C3CCCO)=C1CC,"InChI=1S/C48H66N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;",ZCISRIHHEXSWIR-WRIGXHCHSA-L
DB05297,199796-52-6,Paclitaxel docosahexaenoic acid,investigational,11489499,,,,,,,,CHEMBL4297441,,PACLITAXEL DOCOSAHEXAENOIC ACID,,6918473,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@]3([H])[C@@](C)([C@@H](O)C[C@@]4([H])OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C69H81NO15/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-42-55(74)83-59(57(49-36-29-26-30-37-49)70-63(76)50-38-31-27-32-39-50)65(78)82-52-44-69(79)62(84-64(77)51-40-33-28-34-41-51)60-67(7,53(73)43-54-68(60,45-80-54)85-48(4)72)61(75)58(81-47(3)71)56(46(52)2)66(69,5)6/h9-10,12-13,15-16,18-19,21-22,24-34,36-41,52-54,57-60,62,73,79H,8,11,14,17,20,23,35,42-45H2,1-7H3,(H,70,76)/b10-9-,13-12-,16-15-,19-18-,22-21-,25-24-/t52-,53-,54+,57-,58+,59+,60-,62-,67+,68-,69+/m0/s1",LRCZQSDQZJBHAF-PUBGEWHCSA-N
DB05298,145739-56-6,Tetomilast,investigational,9344716,,,,,,,ZINC000000600360,CHEMBL332750,,TETOMILAST,,3025803,CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=NC(=CC=C1)C(O)=O,"InChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)",XDBHURGONHZNJF-UHFFFAOYSA-N
DB05299,,Keyhole limpet hemocyanin,"['approved', 'investigational']",17236863,,,,,,,,,,,,,,,
DB05300,615580-67-1,PTI-801,investigational,17685875,,,,,,,,,,,,,,,
DB05301,909712-41-0,LAX-101,investigational,,,,,,,,,,,,,,,,
DB05303,,OMS-103HP,investigational,,,,,,,,,,,,,,,,
DB05304,916138-87-9,Girentuximab,investigational,17489737,,,,,,,,,,,,,,,
DB05305,372075-36-0,Cintredekin besudotox,investigational,17327604,,,,,,,,,,,,,,,
DB05306,473553-86-5,Alferminogene tadenovec,investigational,"['17825712', '14563572', '14615023']",,,,,,,,,,,,,,,
DB05308,,ANX-510,investigational,,,,,,,,,,,,,,,,
DB05309,,TP-508,investigational,11208179,,,,,,,,,,,,,,,
DB05310,,FP-1096,investigational,,,,,,,,,,,,,,,,
DB05311,460738-38-9,Ecallantide,"['approved', 'investigational']","['21760740', '17559913', '25931832', '18613770']",B06AC03,,658708,,,,,,,,,,,,
DB05312,,NVS antibody,investigational,,,,,,,,,,,,,,,,
DB05313,,MP4,investigational,15820947,,,,,,,,,,,,,,,
DB05315,,MC-1,investigational,,,,,,,,,,,,,,,,
DB05316,706779-91-1,Pimavanserin,"['approved', 'investigational']","['30475568', '27503570', '18665659', '17708779', '31211112', '27686027', '32811586', '28817967', '32174828', '26744739', '28579723', '27262680']",N05AX17,,1791685,,,5142,ZINC000016159083,CHEMBL2111101,139370,PIMAVANSERIN TARTRATE,133017,10071196,CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1,"InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)",RKEWSXXUOLRFBX-UHFFFAOYSA-N
DB05317,,TAK-475,investigational,"['12679152', '12839864']",,,,,,,,,,,,,,,
DB05319,945228-48-8,Oportuzumab monatox,investigational,,,,,,,,,,,,,,,,
DB05320,,ATG-Fresenius S,investigational,16182827,,,,,,,,,,,,,,,
DB05321,,PEG-uricase,investigational,"['3289428', '17826865']",,,,,,,,,,,,,,,
DB05322,,INGN 201,investigational,"['16856803', '17472413']",,,,,,,,,,,,,,,
DB05325,,INGN 225,investigational,,,,,,,,,,,,,,,,
DB05326,,INKP-102,investigational,,,,,,,,,,,,,,,,
DB05327,147254-64-6,Ranirestat,investigational,16373898,,,,,,,ZINC000000598422,CHEMBL334830,50067407,RANIRESTAT,,153948,FC1=C(CN2C(=O)C3=CC=CN3[C@@]3(CC(=O)NC3=O)C2=O)C=CC(Br)=C1,"InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1",QCVNMNYRNIMDKV-QGZVFWFLSA-N
DB05328,,VGV-1,investigational,,,,,,,,,,,,,,,,
DB05329,,MDX-1379,investigational,,,,,,,,,,,,,,,,
DB05330,,ALTU-135,investigational,,,,,,,,,,,,,,,,
DB05332,267639-76-9,Romiplostim,approved,"['22316355', '17002262', '17925591']",B02BX04,D08990,805452,,,,,,,,,,,,
DB05333,,TC-5231,investigational,,,,,,,,,,,,,,,,
DB05336,1351337-07-9,Obiltoxaximab,approved,15664918,J06BB22,,1746906,,,,,,,,,,,,
DB05337,,SOT-107,investigational,16248284,,,,,,,,,,,,,,,
DB05339,,MN-305,investigational,10609697,,,,,,,,,,,,198746,Cl.C(CNC[C@H]1COC2=CC=CC=C2O1)COC1=CC2=C(OCO2)C=C1,"InChI=1S/C19H21NO5.ClH/c1-2-5-18-16(4-1)22-12-15(25-18)11-20-8-3-9-21-14-6-7-17-19(10-14)24-13-23-17;/h1-2,4-7,10,15,20H,3,8-9,11-13H2;1H/t15-;/m0./s1",GGNCUSDIUUCNKE-RSAXXLAASA-N
DB05340,,ATL-2502,investigational,15573870,,,,,,,,,,,,23691973,[Na+].CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)C1=CC(=CC=C1)S([O-])(=O)=O,"InChI=1S/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1",RWFZSORKWFPGNE-UHFFFAOYSA-M
DB05343,185517-21-9,Arundic acid,investigational,"['16797859', '14619409']",,,,,,,ZINC000002509961,CHEMBL3187683,,ONO-2506PO,,208925,CCCCCC[C@@H](CCC)C(O)=O,"InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1",YCYMCMYLORLIJX-SNVBAGLBSA-N
DB05344,133423-39-9,Ciliary neurotrophic factor,investigational,15684670,,,,,,,,,,,,,,,
DB05345,,SO-101,investigational,,,,,,,,,,,,,,,,
DB05346,,WL-1002,investigational,9231875,,,,,,,,,,,,,,,
DB05351,138530-94-6,Dexlansoprazole,"['approved', 'investigational']","['21780890', '11430506', '19243357', '21694835', '28588208', '29658189', '21716130', '19735233', '28203282', '26759624', '23825361', '26586949', '22455762', '19362552']",A02BC06,,816346,PA166110257,,4162,ZINC000003830986,CHEMBL1201863,50247930,KAPIDEX,135931,9578005,CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C1=NC2=CC=CC=C2N1,"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1",MJIHNNLFOKEZEW-RUZDIDTESA-N
DB05352,,Fx-1006A,investigational,,,,,,,,,,,,,,,,
DB05353,,CMC 001,investigational,"['15172365', '16763790']",,,,,,,,,,,,,,,
DB05361,232602-93-6,SR-123781A,investigational,11372679,,,,,,,,,,,,,[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@@H]2O[C@H](COC)[C@@]([H])(O[C@@H]3O[C@H](COC)[C@@]([H])(O[C@@H]4O[C@H](COC)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]6O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@H]7O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@H]8O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]8OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]7OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]6OS([O-])(=O)=O)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)[C@H](OC)[C@H]2OC)[C@@H](COC)O[C@H](O[C@]2([H])[C@@H](COC)O[C@@H](O[C@]3([H])[C@@H](COC)O[C@H](O[C@]4([H])[C@@H](COC)O[C@@H](O[C@@]5([H])[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@]6([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]7([H])[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@]8([H])[C@H](OC)[C@H](OC)[C@H](O[C@]9([H])[C@@H](COS([O-])(=O)=O)O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@H]9OC)O[C@H]8C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]7OS([O-])(=O)=O)O[C@H]6C([O-])=O)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC,"InChI=1S/C127H220O134S17.19Na/c1-183-32-46-60(235-114-95(203-21)76(192-10)62(48(223-114)34-185-3)237-116-97(205-23)78(194-12)64(50(225-116)36-187-5)239-118-99(207-25)80(196-14)66(52(227-118)38-189-7)241-120-101(209-27)82(198-16)68(55(229-120)41-216-264(138,139)140)244-124-106(258-275(171,172)173)89(254-271(159,160)161)71(57(231-124)43-218-266(144,145)146)246-125-107(259-276(174,175)176)90(255-272(162,163)164)72(58(232-125)44-219-267(147,148)149)247-126-109(261-278(180,181)182)91(256-273(165,166)167)73(252-269(153,154)155)59(234-126)45-220-268(150,151)152)74(190-8)94(202-20)113(222-46)236-61-47(33-184-2)224-115(96(204-22)75(61)191-9)238-63-49(35-186-4)226-117(98(206-24)77(63)193-11)240-65-51(37-188-6)228-119(100(208-26)79(65)195-13)242-67-54(40-215-263(135,136)137)230-121(102(210-28)81(67)197-15)248-86-84(200-18)104(212-30)123(251-92(86)110(128)129)245-70-56(42-217-265(141,142)143)233-127(108(260-277(177,178)179)88(70)253-270(156,157)158)249-87-85(201-19)103(211-29)122(250-93(87)111(130)131)243-69-53(39-214-262(132,133)134)221-112(213-31)105(83(69)199-17)257-274(168,169)170;;;;;;;;;;;;;;;;;;;/h46-109,112-127H,32-45H2,1-31H3,(H,128,129)(H,130,131)(H,132,133,134)(H,135,136,137)(H,138,139,140)(H,141,142,143)(H,144,145,146)(H,147,148,149)(H,150,151,152)(H,153,154,155)(H,156,157,158)(H,159,160,161)(H,162,163,164)(H,165,166,167)(H,168,169,170)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182);;;;;;;;;;;;;;;;;;;/q;19*+1/p-19/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105+,106-,107-,108-,109-,112+,113-,114+,115+,116+,117-,118+,119+,120-,121-,122-,123-,124+,125-,126-,127-;;;;;;;;;;;;;;;;;;;/m1.................../s1",RRHHPXJSGSYSHW-ZURHXDBDSA-A
DB05362,,SSR-126517E,investigational,16953267,,,,,,,,,,,,,,,
DB05363,,LIC-477,investigational,,,,,,,,,,,,,,,,
DB05364,,ROX-888,investigational,,,,,,,,,,,,,,,,
DB05367,,Actelion-1,investigational,,,,,,,,,,,,,,,,
DB05368,,Ragweed pollen extract,"['approved', 'investigational']","['12811019', '8760779']",,,,,,,,,,,,,,,
DB05369,,HZT-501,investigational,,,,,,,,,,,,,,,,
DB05371,,ACR-16,investigational,,,,,,,,,,,,,,,,
DB05374,1108208-65-6,Rindopepimut,investigational,25985004,,,,,,,,,,,,,,,
DB05377,80-33-1,Chlorfenson,investigational,,,,,,,,ZINC000001687057,CHEMBL499017,,,82155,6635,ClC1=CC=C(OS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H",RZXLPPRPEOUENN-UHFFFAOYSA-N
DB05380,633308-23-3,DOTMP HO-166,investigational,,,,,,,,,,,,,,[166Ho++].OP(O)(=O)CN1CCN(CP(O)(O)=O)CCN(CP([O-])([O-])=O)CCN(CP(O)(O)=O)CC1,"InChI=1S/C12H32N4O12P4.Ho/c17-29(18,19)9-13-1-2-14(10-30(20,21)22)5-6-16(12-32(26,27)28)8-7-15(4-3-13)11-31(23,24)25;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28);/q;+2/p-2/i;1+1",UOWMQDYQGKHTKV-IEOVAKBOSA-L
DB05381,51-45-6,Histamine,"['approved', 'investigational']","['12092744', '26252585']","['L03AX14', 'V04CG03']",D08040,5333,PA449880,HSM,1375,ZINC000000388081,CHEMBL90,7966,HISTAMINE HYDROCHLORIDE,18295,774,NCCC1=CNC=N1,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",NTYJJOPFIAHURM-UHFFFAOYSA-N
DB05382,7553-56-2,Iodine,"['approved', 'investigational']","['16679319', '18645607', '9880479', '28243321', '31319484']",D08AG03,D00108,5933,,I2I,4446,,CHEMBL1201225,,IODINE,17606,807,II,InChI=1S/I2/c1-2,PNDPGZBMCMUPRI-UHFFFAOYSA-N
DB05383,79-17-4,Pimagedine,investigational,"['1727735', '11922864']",,,1311670,,AGU,,ZINC000008034829,CHEMBL225304,86154,PIMAGEDINE HYDROCHLORIDE,40618,2146,NNC(N)=N,"InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)",HAMNKKUPIHEESI-UHFFFAOYSA-N
DB05384,151687-96-6,Carbopol 974P,investigational,"['12869836', '11176265']",,,1363568,,,,,,,,,,,,
DB05385,29321-75-3,PRO 2000,investigational,"['17301565', '16603855']",,,,,,,,,,,,,,,
DB05386,127757-91-9,Regramostim,investigational,"['17985214', '17694571']",,,,,,,,,,,,,,,
DB05387,,AE-941,investigational,17931982,,,,,,,,,,,,,,,
DB05389,92047-76-2,Tetrachlorodecaoxide,"['approved', 'investigational']",15542165,,,,,,,,CHEMBL3707387,,,,3000391,O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O,"InChI=1S/4ClHO2.O2.H2O/c4*2-1-3;1-2;/h4*(H,2,3);;1H2/p-4",VOWOEBADKMXUBU-UHFFFAOYSA-J
DB05390,,INS 316,investigational,"['12475842', '10601167']",,,,,,,,,,,,,,,
DB05391,,liposomal prostaglandin E1,investigational,"['11324979', '15463813']",,,,,,,,,,,,,,,
DB05393,,NOV-002,investigational,16399394,,,,,,,,,,,,,,,
DB05394,86784-80-7,Corticorelin,investigational,"['21154169', '12606786', '18162074']",V04CD04,,214461,,,4858,,,,,,,,,
DB05395,121524-08-1,Amibegron,investigational,"['14584972', '10226761']",,,,,,,ZINC000003797401,CHEMBL1193948,,AMIBEGRON,188723,3035442,[H][C@](O)(CN[C@@]1([H])CCC2=C(C1)C=C(OCC(=O)OCC)C=C2)C1=CC(Cl)=CC=C1,"InChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1",RDJQCOBTKKAQAH-FPOVZHCZSA-N
DB05396,472960-22-8,Albinterferon Alfa-2B,investigational,12388634,L03AB12,,,,,,,,,,,,,,
DB05398,,C31G,investigational,15854637,,,,,,,,,,,,456362,CCCCCCCCCCCC[N+](C)(C)[O-].CCCCCCCCCCCC[N+](C)(C)CC([O-])=O,"InChI=1S/C16H33NO2.C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19;1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-15H2,1-3H3;4-14H2,1-3H3",KMCBHFNNVRCAAH-UHFFFAOYSA-N
DB05399,216167-82-7,Succinobucol,investigational,"['17605642', '17056832']",,,,,,,ZINC000003937467,CHEMBL83626,50117525,AGI-1067,177810,216325,CC(C)(C)C1=CC(SC(C)(C)SC2=CC(=C(OC(=O)CCC(O)=O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,"InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)",RKSMVPNZHBRNNS-UHFFFAOYSA-N
DB05400,,QS-21,investigational,"['18031193', '17504999']",,,2002417,,,,,,,,,,,,
DB05403,,CEP-1347,investigational,11331414,,,,,,,ZINC000103589452,,,,,133005,[H][C@@]12C[C@H](C(=O)OOC)[C@](C)(O1)N1C3=C(C=C(CSCC)C=C3)C3=C4CNC(=O)C4=C4C5=C(C=CC(CSCC)=C5)N2C4=C13,"InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-23-19(11-17)27-28-21(14-34-31(28)37)26-20-12-18(16-43-6-2)8-10-24(20)36-30(26)29(27)35(23)25-13-22(32(38)41-39-4)33(36,3)40-25/h7-12,22,25H,5-6,13-16H2,1-4H3,(H,34,37)/t22-,25+,33+/m1/s1",WMBUVOLZSWTKMP-KQFGJPIXSA-N
DB05404,,AZD 3355,investigational,,,,,,,,,,,,,,,,
DB05405,339991-45-6,XTL-001,investigational,12090540,,,,,,,,,,,,,,,
DB05406,,GTI-2501,investigational,"['16391803', '11890367']",,,,,,,,,,,,,,,
DB05407,349453-49-2,TBC-3711,investigational,15055997,,,,,,,ZINC000003820042,CHEMBL432521,50143793,,,9911482,CC(=O)C1=C(NC(=O)C2=C(C=CS2)S(=O)(=O)NC2=C(C)C(C)=NO2)C(C)=CC(C)=C1,"InChI=1S/C20H21N3O5S2/c1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h6-9,23H,1-5H3,(H,21,25)",IAYNHDZSSDUYHY-UHFFFAOYSA-N
DB05408,254750-02-2,Emricasan,investigational,17654603,,,,,,,ZINC000014191207,CHEMBL197672,50461533,PF-03491390,,12000240,C[C@H](NC(=O)C(=O)NC1=C(C=CC=C1)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F,"InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1",SCVHJVCATBPIHN-SJCJKPOMSA-N
DB05409,,NCX 701,investigational,"['11906970', '10928944']",,,,,,,,,,,,6918532,CC(=O)NC1=CC=C(OC(=O)CCCO[N+]([O-])=O)C=C1,"InChI=1S/C12H14N2O6/c1-9(15)13-10-4-6-11(7-5-10)20-12(16)3-2-8-19-14(17)18/h4-7H,2-3,8H2,1H3,(H,13,15)",XTMOQAKCOFLCRZ-UHFFFAOYSA-N
DB05410,571186-50-0,NCX 1022,investigational,15313880,,,,,,,,,,,,145994599,CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C1=CC=CC(CON(=O)=O)=C1,"InChI=1S/C29H35NO9/c1-27-10-8-20(31)13-19(27)6-7-21-22-9-11-29(35,28(22,2)14-23(32)25(21)27)24(33)16-38-26(34)18-5-3-4-17(12-18)15-39-30(36)37/h3-5,12-13,21-23,25,32,35H,6-11,14-16H2,1-2H3",MBODWAULVMWNDB-UHFFFAOYSA-N
DB05411,,VB2-011,investigational,,,,,,,,,,,,,,,,
DB05412,309913-83-5,Talmapimod,investigational,"['17495322', '16600214']",,,,,469,,ZINC000034001955,CHEMBL514201,50266947,SCIO-469,90683,9871074,[H][C@]1(C)CN(C(=O)C2=C(Cl)C=C3N(C)C=C(C(=O)C(=O)N(C)C)C3=C2)[C@]([H])(C)CN1CC1=CC=C(F)C=C1,"InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1",ZMELOYOKMZBMRB-DLBZAZTESA-N
DB05413,251562-00-2,Tifuvirtide,investigational,,,,,,,,,,,,,,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C235H341N57O67/c1-20-120(13)194(290-218(342)155(69-83-184(246)303)258-198(322)122(15)254-201(325)149(63-77-178(240)297)263-211(335)157(71-85-187(307)308)270-221(345)166(97-117(7)8)280-222(346)164(95-115(3)4)277-199(323)124(17)256-235(359)196(125(18)294)292-234(358)195(121(14)21-2)291-217(341)148(58-38-42-94-239)261-205(329)150(64-78-179(241)298)265-212(336)158(72-86-188(309)310)272-227(351)172(104-131-111-251-142-52-32-27-47-137(131)142)284-215(339)159(73-87-189(311)312)267-208(332)153(67-81-182(244)301)269-226(350)170(257-126(19)295)102-129-109-249-140-50-30-25-45-135(129)140)233(357)275-154(68-82-183(245)302)209(333)264-151(65-79-180(242)299)207(331)266-156(70-84-186(305)306)210(334)260-146(56-36-40-92-237)204(328)287-175(107-185(247)304)230(354)274-161(75-89-191(315)316)214(338)282-169(101-128-59-61-134(296)62-60-128)225(349)271-160(74-88-190(313)314)213(337)279-165(96-116(5)6)220(344)268-152(66-80-181(243)300)206(330)259-145(55-35-39-91-236)202(326)278-167(98-118(9)10)224(348)288-176(108-193(319)320)231(355)262-147(57-37-41-93-238)203(327)283-171(103-130-110-250-141-51-31-26-46-136(130)141)219(343)255-123(16)200(324)289-177(114-293)232(356)281-168(99-119(11)12)223(347)286-173(105-132-112-252-143-53-33-28-48-138(132)143)228(352)273-162(76-90-192(317)318)216(340)285-174(106-133-113-253-144-54-34-29-49-139(133)144)229(353)276-163(197(248)321)100-127-43-23-22-24-44-127/h22-34,43-54,59-62,109-113,115-125,145-177,194-196,249-253,293-294,296H,20-21,35-42,55-58,63-108,114,236-239H2,1-19H3,(H2,240,297)(H2,241,298)(H2,242,299)(H2,243,300)(H2,244,301)(H2,245,302)(H2,246,303)(H2,247,304)(H2,248,321)(H,254,325)(H,255,343)(H,256,359)(H,257,295)(H,258,322)(H,259,330)(H,260,334)(H,261,329)(H,262,355)(H,263,335)(H,264,333)(H,265,336)(H,266,331)(H,267,332)(H,268,344)(H,269,350)(H,270,345)(H,271,349)(H,272,351)(H,273,352)(H,274,354)(H,275,357)(H,276,353)(H,277,323)(H,278,326)(H,279,337)(H,280,346)(H,281,356)(H,282,338)(H,283,327)(H,284,339)(H,285,340)(H,286,347)(H,287,328)(H,288,348)(H,289,324)(H,290,342)(H,291,341)(H,292,358)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)/t120-,121-,122-,123-,124-,125+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,194-,195-,196-/m0/s1",ZFEAMMNVDPDEGE-LGRGJMMZSA-N
DB05414,198480-55-6,Pipendoxifene,investigational,,,,,,,,ZINC000000602799,CHEMBL44426,50099587,ERA-923,,6433099,CC1=C(N(CC2=CC=C(OCCN3CCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1,"InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3",JICOGKJOQXTAIP-UHFFFAOYSA-N
DB05415,,OSI-461,investigational,15475462,,,,,,,,,,,,,,,
DB05416,317318-70-0,Cardarine,investigational,"['17869249', '15803109', '17500064']",,,,,7T1,,ZINC000001549989,CHEMBL38943,28661,GW501516,73726,9803963,CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)",YDBLKRPLXZNVNB-UHFFFAOYSA-N
DB05417,,GW 468816,investigational,12486679,,,,,,,,,,,,,,,
DB05418,,GW 597599,investigational,,,,,,,,,,,,,,,,
DB05419,128022-68-4,ADX-10061,investigational,,,,,,,,,,,,,164252,CN1CCC2=CC(=C(O)C=C2[C@H](C1)C1=C2OCCC2=CC=C1)[N+]([O-])=O,"InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3/t16-/m1/s1",XZPSYCOYKJRHKE-MRXNPFEDSA-N
DB05420,108560-70-9,Gallium maltolate,investigational,"['17600139', '16827101', '17916007']",,,,,,,,,,,,16687137,[Ga+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1,"InChI=1S/3C6H6O3.Ga/c3*1-4-6(8)5(7)2-3-9-4;/h3*2-3,8H,1H3;/q;;;+3/p-3",ASYYOZSDALANRF-UHFFFAOYSA-K
DB05421,145742-28-5,CP-122721,investigational,17965517,,,,,,,ZINC000022441997,CHEMBL319118,50067935,,,9821217,COC1=CC=C(OC(F)(F)F)C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1,"InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1",ZIWFCOIGUNPHPM-HKUYNNGSSA-N
DB05422,145969-30-8,OPC-14523,investigational,"['16533864', '11747902']",,,,,,,ZINC000000598353,CHEMBL294144,50005656,,,9892540,COC1=CC=CC2=C1CCC(=O)N2CCCN1CCN(CC1)C1=CC=CC(Cl)=C1,"InChI=1S/C23H28ClN3O2/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19/h2-3,5-8,17H,4,9-16H2,1H3",TZZGTNZBLPCBIS-UHFFFAOYSA-N
DB05423,189035-07-2,ORG-34517,investigational,"['17651703', '16197509']",,,,,,,ZINC000003951570,,,,,9867361,[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C3OCOC3=C1)C1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C28H30O4/c1-3-11-28(30)12-10-23-21-7-4-17-13-19(29)6-8-20(17)26(21)22(15-27(23,28)2)18-5-9-24-25(14-18)32-16-31-24/h5,9,13-14,21-23,30H,4,6-8,10,12,15-16H2,1-2H3/t21-,22+,23-,27-,28-/m0/s1",DFELGYQKEOCHOA-BZAFBGKRSA-N
DB05424,267243-28-7,Canertinib,investigational,"['17405897', '16899614']",,,,,,,ZINC000027439698,CHEMBL31965,4779,CANERTINIB,61399,156414,FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1,"InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)",OMZCMEYTWSXEPZ-UHFFFAOYSA-N
DB05426,308240-58-6,Talactoferrin alfa,investigational,17188087,,,1425932,,,,,,,,,,,,
DB05427,,IDD-3,investigational,"['8384947', '1675432']",,,,,,,,,,,,,,,
DB05428,246252-06-2,Motexafin gadolinium,investigational,"['15627019', '17555388']",,,,,,,,,,,50161,,[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO,"InChI=1S/C48H66N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;",VAZLWPAHMORDGR-WRIGXHCHSA-L
DB05429,,CAT-213,investigational,"['15001461', '16973884']",,,,,,,,,,,,,,,
DB05430,,VLTS-589,investigational,"['17452167', '15212720']",,,,,,,,,,,,,,,
DB05431,175212-04-1,MLN-977,investigational,,,,,,,,ZINC000003821540,CHEMBL73148,50144621,,,9905233,NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COC2=CC=C(F)C=C2)O1,"InChI=1S/C16H19FN2O4/c17-12-4-6-13(7-5-12)22-11-15-9-8-14(23-15)3-1-2-10-19(21)16(18)20/h4-7,14-15,21H,2,8-11H2,(H2,18,20)/t14-,15+/m1/s1",YANONWCPCKIWEC-CABCVRRESA-N
DB05432,,DAS-431 IV,investigational,11607045,,,,,,,,,,,,,,,
DB05433,,rGLP-1,investigational,"['9519151', '15677555']",,,,,,,,,,,,,,,
DB05434,251579-55-2,ABT-510,investigational,"['17189418', '16728485']",,,,,,,ZINC000169362874,CHEMBL386115,,ABT-510,,6918562,CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC,"InChI=1S/C46H83N13O11/c1-12-18-30(39(64)55-36(26(7)13-2)42(67)53-31(19-16-21-50-46(47)48)45(70)59-22-17-20-32(59)40(65)49-15-4)52-44(69)38(28(9)60)57-43(68)37(27(8)14-3)56-41(66)35(25(5)6)54-33(62)23-51-34(63)24-58(11)29(10)61/h25-28,30-32,35-38,60H,12-24H2,1-11H3,(H,49,65)(H,51,63)(H,52,69)(H,53,67)(H,54,62)(H,55,64)(H,56,66)(H,57,68)(H4,47,48,50)/t26-,27-,28+,30-,31-,32-,35-,36-,37+,38-/m0/s1",RIWLPSIAFBLILR-WVNGMBSFSA-N
DB05437,,NAV 1800,investigational,1466615,,,,,,,,,,,,,,,
DB05438,,IDM-4,investigational,,,,,,,,,,,,,,,,
DB05439,,IDD-1,investigational,,,,,,,,,,,,,,,,
DB05440,,SRP 299,investigational,"['15654967', '14761113']",,,,,,,,,,,,,,,
DB05441,,AVAC,investigational,,,,,,,,,,,,,,,,
DB05442,199331-40-3,Etiprednol dicloacetate,investigational,"['12893841', '15212300', '11878192', '15212306', '15212312']",,,,,,3209,ZINC000003979944,CHEMBL2107614,,ETIPREDNOL DICLOACETATE,135783,9935073,[H][C@@]12CC[C@](OC(=O)C(Cl)Cl)(C(=O)OCC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24-/m0/s1",QAIOVDNCIZSSSF-RFAJLIJZSA-N
DB05443,,ADL 10-0101,investigational,"['11932057', '16699267', '12507703']",,,,,,,,,,,,,,,
DB05444,276690-58-5,Iroxanadine,investigational,"['12055138', '15583868']",,,,,,,,CHEMBL2107433,,,,6421776,C(C1CONC(=N1)C1=CN=CC=C1)N1CCCCC1,"InChI=1S/C14H20N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17)",QWVRTSZDKPRPDF-UHFFFAOYSA-N
DB05445,,TA-NIC,investigational,"['15270640', '8132774', '15648190', '17288232']",,,,,,,,,,,,,,,
DB05446,,LJP 1082,investigational,"['15230288', '15377172', '14735233']",,,,,,,,,,,,1082,NC(CCC(=O)NC(CSCO)C(=O)NCC(O)=O)C(O)=O,"InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)",PIUSLWSYOYFRFR-UHFFFAOYSA-N
DB05447,,AVI-4557,investigational,12065433,,,,,,,,,,,,,,,
DB05448,141400-58-0,PX-12,investigational,"['17404093', '17209529', '12376470', '12847685', '12657718', '15148527', '15701837', '17115210', '16459166', '17805439']",,,,,,,,CHEMBL406050,50426071,PX-12,94291,219104,CCC(C)SSC1=NC=CN1,"InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)",BPBPYQWMFCTCNG-UHFFFAOYSA-N
DB05449,,FM-VP4,investigational,"['17963113', '11737986', '12713278', '14582458', '17040195', '16401390', '12532378', '11745737', '11737988', '15491050', '12931251', '16243508', '12701053', '15884766', '12042117', '15491052']",,,,,,,,,,,,,,,
DB05450,126-18-1,Smilagenin,investigational,16118691,,,,,,,ZINC000008234226,CHEMBL4465923,,,28933,91439,[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2,"InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",GMBQZIIUCVWOCD-UQHLGXRBSA-N
DB05451,,P54,investigational,,,,,,,,,,,,,,,,
DB05452,,PH-284,investigational,"['18183442', '18183477']",,,,,,,,,,,,,,,
DB05454,188396-77-2,Paliroden,investigational,16472201,,,,,,,ZINC000035826853,CHEMBL2107767,,SR57667B,,11567682,FC(F)(F)C1=CC(=CC=C1)C1=CCN(CCC2=CC=C(C=C2)C2=CC=CC=C2)CC1,"InChI=1S/C26H24F3N/c27-26(28,29)25-8-4-7-24(19-25)23-14-17-30(18-15-23)16-13-20-9-11-22(12-10-20)21-5-2-1-3-6-21/h1-12,14,19H,13,15-18H2",CNEWKIDCGDXBDE-UHFFFAOYSA-N
DB05455,,SR 121463,investigational,"['12937221', '17699341', '16843091']",,,,,,,,,,,,,,,
DB05456,,ETC-588,investigational,"['17354027', '15503656']",,,,,,,,,,,,6449792,CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-",RRVPPYNAZJRZFR-MRCUWXFGSA-N
DB05457,,OSI-7904L,investigational,"['12583828', '14982966']",,,,,,,,,,,,,,,
DB05458,161417-03-4,Pozanicline,investigational,"['15179445', '17689498']",,,,,,,ZINC000000006562,CHEMBL127071,50056147,A-87089.0,,178052,CC1=C(OC[C@@H]2CCCN2)C=CC=N1,"InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1",YRVIKLBSVVNSHF-JTQLQIEISA-N
DB05459,339308-60-0,Briakinumab,investigational,"['15583528', '17979028']",L04AC09,,,,,,,,,,,,,,
DB05460,168682-53-9,Ezatiostat,investigational,16044376,,,,,,,ZINC000056898832,CHEMBL2110585,,EZATIOSTAT HYDROCHLORIDE,,5310939,CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)OCC)C1=CC=CC=C1,"InChI=1S/C27H35N3O6S/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20/h5-14,21-22,24H,3-4,15-18,28H2,1-2H3,(H,29,31)(H,30,32)/t21-,22-,24+/m0/s1",GWEJFLVSOGNLSS-WPFOTENUSA-N
DB05461,,OPC-28326,investigational,"['15593189', '17223008', '11855671', '11606316', '10525078', '11602678']",,,,,,,,,,,,15942713,O.Cl.CCC(=O)NC1=C(C)C=C(C=C1C)C(=O)N1CCC(CC1)N(C)CCC1=CC=CC=C1,"InChI=1S/C26H35N3O2.ClH.H2O/c1-5-24(30)27-25-19(2)17-22(18-20(25)3)26(31)29-15-12-23(13-16-29)28(4)14-11-21-9-7-6-8-10-21;;/h6-10,17-18,23H,5,11-16H2,1-4H3,(H,27,30);1H;1H2",QRNMKZJPTYRAIL-UHFFFAOYSA-N
DB05462,,Chlorotoxin I-131,investigational,"['9809993', '17335414', '16877732', '12113233']",,,,,,,,,,,,4369566,CCC(C(C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,"InChI=1S/C26H31NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18,25-26H,4,19-20H2,1-3H3",YUFAHBUWIVNVNJ-UHFFFAOYSA-N
DB05463,937402-51-2,ISS-1018,investigational,"['12099166', '17161362', '12744879']",,,,,,,,,,,,,,,
DB05464,,NOX-700,investigational,"['15085063', '12860481', '15021977']",,,,,,,,,,,,,,,
DB05465,387867-13-2,Tandutinib,investigational,"['16447713', '18185521', '16715961', '16902153', '15242881']",,,,,,,ZINC000003966243,CHEMBL124660,13535,CT-53518,90237,3038522,COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1,"InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)",UXXQOJXBIDBUAC-UHFFFAOYSA-N
DB05466,,R673,investigational,,,,,,,,,,,,,,,,
DB05467,,R667,investigational,"['16432274', '17498389', '17324249']",,,,,,,ZINC000038467831,CHEMBL2105648,,RO-3300074,188559,10295295,,,
DB05468,,R411,investigational,"['16369813', '15545307']",,,,,,,,,,,,,,,
DB05469,,R450,investigational,,,,,,,,,,,,,,,,
DB05470,745833-23-2,VX-702,investigational,"['16022178', '16378500', '17117592', '15583748']",,,,,,,ZINC000036377992,CHEMBL1090090,50314071,VX-702,94489,10341154,NC(=O)N(C1=CC=C(C(N)=O)C(=N1)C1=CC=C(F)C=C1F)C1=C(F)C=CC=C1F,"InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)",FYSRKRZDBHOFAY-UHFFFAOYSA-N
DB05471,,SGN-30,investigational,"['12097283', '17909075', '16610770', '18079362', '16049514']",,,,,,,,,,,,,,,
DB05472,,Human interferon omega-1,investigational,"['16987555', '1647209', '15621727', '15652968']",,,,,,,,,,,,,,,
DB05473,,QR-334,investigational,,,,,,,,,,,,,,,,
DB05474,,T487,investigational,15761110,,,,,,,,,,,,,,,
DB05475,229305-39-9,Golotimod,investigational,"['15246665', '12851663', '16499289', '12467673']",,,2367440,,,,ZINC000001549362,CHEMBL2103812,,SCV-07,177459,6992140,N[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O,"InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1",CATMPQFFVNKDEY-YPMHNXCESA-N
DB05476,255374-84-6,WX-UK1,investigational,"['12675525', '15170662', '15841327']",,,,,,,,CHEMBL4451232,,,,9939426,Cl.CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C,"InChI=1S/C32H47N5O5S.ClH/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7;/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34);1H/t28-;/m0./s1",FMHIVIJVVYYSRN-JCOPYZAKSA-N
DB05477,,MUC1 Dendritic Cell Vaccine,investigational,"['12085199', '14513684', '14685779', '12597344', '16211871']",,,,,,,,,,,,,,,
DB05478,625095-61-6,Pradefovir mesylate,investigational,"['16239358', '17668370', '16940083', '18173234']",,,,,,,,CHEMBL3989658,,,,9604653,CS(O)(=O)=O.NC1=C2N=CN(CCOC[P@@]3(=O)OCC[C@H](O3)C3=CC(Cl)=CC=C3)C2=NC=N1,"InChI=1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21);1H3,(H,2,3,4)/t14-,28+;/m0./s1",JXQUAHHUSMJUFV-HZPZRMRQSA-N
DB05479,,CZEN 002,investigational,2547421,,,,,,,,,,,,16129664,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O,"InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58?,59-,60-,61-,64-/m0/s1",WHNFPRLDDSXQCL-PDEGJNOBSA-N
DB05480,,PBI-1402,investigational,,,,,,,,,,,,,,,,
DB05481,,Recombinant alpha 1-antitrypsin,investigational,"['16506529', '16506528']",,,,,,,,,,,,,,,
DB05482,86639-52-3,7-ethyl-10-hydroxycamptothecin,investigational,"['15664753', '16386867', '15816556', '12798168', '14648604', '14726126', '15996839', '15494639']",,,,,RS4,,ZINC000004099013,CHEMBL837,50418088,NK 012,8988,104842,CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O,"InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1",FJHBVJOVLFPMQE-QFIPXVFZSA-N
DB05483,,PCL-016,investigational,17300246,,,,,,,ZINC000000039905,CHEMBL72628,50000407,,28747,1018,,,
DB05484,,MDX-018,investigational,,,,,,,,,,,,,,,,
DB05485,,ADH-1,investigational,"['17371194', '17721921', '17414625']",,,,,,,,,,,,,,,
DB05487,890056-27-6,Custirsen,investigational,15604281,,,,,,,,,,,,,COCCO[C@@H]1[C@H](O)[C@@H](COP(S)(=O)O[C@@H]2[C@@H](COP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]4[C@@H](COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@@H]5[C@@H](COP(S)(=O)O[C@@H]6[C@@H](COP(S)(=O)O[C@@H]7[C@@H](COP(S)(=O)O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8OCCOC)N8C=C(C)C(N)=NC8=O)O[C@H]([C@@H]7OCCOC)N7C=NC8=C7N=CN=C8N)O[C@H]([C@@H]6OCCOC)N6C=NC7=C6N=C(N)NC7=O)O[C@H]([C@@H]5OCCOC)N5C=C(C)C(N)=NC5=O)N5C=NC6=C5N=CN=C6N)N5C=NC6=C5N=C(N)NC6=O)N5C=CC(N)=NC5=O)N5C=NC6=C5N=CN=C6N)N5C=NC6=C5N=C(N)NC6=O)N5C=NC6=C5N=CN=C6N)N5C=NC6=C5N=C(N)NC6=O)N5C=C(C)C(=O)NC5=O)N5C=CC(N)=NC5=O)N5C=C(C)C(=O)NC5=O)N5C=C(C)C(=O)NC5=O)N5C=CC(N)=NC5=O)N5C=NC6=C5N=CN=C6N)O[C@H]([C@@H]4OCCOC)N4C=C(C)C(=O)NC4=O)O[C@H]([C@@H]3OCCOC)N3C=C(C)C(N)=NC3=O)O[C@H]([C@@H]2OCCOC)N2C=NC3=C2N=CN=C3N)O[C@H]1N1C=C(C)C(=O)NC1=O,"InChI=1S/C231H312N78O119P20S20/c1-97-52-295(224(324)273-181(97)235)210-174(361-32-24-353-10)166(118(60-310)401-210)422-444(347,464)383-78-136-171(179(366-37-29-358-15)215(406-136)308-95-265-160-189(243)253-86-259-195(160)308)427-448(351,468)387-80-138-172(180(367-38-30-359-16)216(408-138)309-96-269-164-199(309)279-220(247)283-208(164)320)428-447(350,467)385-76-134-168(175(362-33-25-354-11)211(403-134)296-53-98(2)182(236)274-225(296)325)423-442(345,462)380-73-131-114(48-151(397-131)303-90-263-158-187(241)251-84-257-193(158)303)417-439(342,459)379-72-128-115(49-152(398-128)304-91-266-161-196(304)276-217(244)280-205(161)317)418-435(338,455)370-63-121-107(41-144(390-121)291-22-19-141(234)272-223(291)323)411-430(333,450)374-67-125-111(45-148(394-125)300-87-260-155-184(238)248-81-254-190(155)300)415-437(340,457)378-71-130-117(51-154(400-130)306-93-268-163-198(306)278-219(246)282-207(163)319)420-440(343,460)376-68-126-112(46-149(395-126)301-88-261-156-185(239)249-82-255-191(156)301)416-438(341,458)377-70-129-116(50-153(399-129)305-92-267-162-197(305)277-218(245)281-206(162)318)419-436(339,456)373-66-124-109(43-146(393-124)293-56-101(5)201(313)285-228(293)328)413-433(336,453)368-61-119-105(39-142(388-119)289-20-17-139(232)270-221(289)321)409-429(332,449)371-64-122-110(44-147(391-122)294-57-102(6)202(314)286-229(294)329)414-434(337,454)372-65-123-108(42-145(392-123)292-55-100(4)200(312)284-227(292)327)412-432(335,452)369-62-120-106(40-143(389-120)290-21-18-140(233)271-222(290)322)410-431(334,451)375-69-127-113(47-150(396-127)302-89-262-157-186(240)250-83-256-192(157)302)421-441(344,461)382-75-133-167(177(364-35-27-356-13)213(405-133)299-59-104(8)204(316)288-231(299)331)424-445(348,465)384-77-135-169(176(363-34-26-355-12)212(404-135)297-54-99(3)183(237)275-226(297)326)425-446(349,466)386-79-137-170(178(365-36-28-357-14)214(407-137)307-94-264-159-188(242)252-85-258-194(159)307)426-443(346,463)381-74-132-165(311)173(360-31-23-352-9)209(402-132)298-58-103(7)203(315)287-230(298)330/h17-22,52-59,81-96,105-138,142-154,165-180,209-216,310-311H,23-51,60-80H2,1-16H3,(H,332,449)(H,333,450)(H,334,451)(H,335,452)(H,336,453)(H,337,454)(H,338,455)(H,339,456)(H,340,457)(H,341,458)(H,342,459)(H,343,460)(H,344,461)(H,345,462)(H,346,463)(H,347,464)(H,348,465)(H,349,466)(H,350,467)(H,351,468)(H2,232,270,321)(H2,233,271,322)(H2,234,272,323)(H2,235,273,324)(H2,236,274,325)(H2,237,275,326)(H2,238,248,254)(H2,239,249,255)(H2,240,250,256)(H2,241,251,257)(H2,242,252,258)(H2,243,253,259)(H,284,312,327)(H,285,313,328)(H,286,314,329)(H,287,315,330)(H,288,316,331)(H3,244,276,280,317)(H3,245,277,281,318)(H3,246,278,282,319)(H3,247,279,283,320)/t105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,209+,210+,211+,212+,213+,214+,215+,216+,429?,430?,431?,432?,433?,434?,435?,436?,437?,438?,439?,440?,441?,442?,443?,444?,445?,446?,447?,448?/m0/s1",RCFZILUHCNXXFY-DEDWCYLFSA-N
DB05488,374107-43-4,Technetium Tc-99m ciprofloxacin,investigational,"['17589906', '15057643', '16142247']",,,,,,,,,,,,,,,
DB05489,,ACA 125,investigational,"['7590775', '10941901']",,,,,,,,,,,,,,,
DB05490,315224-26-1,AMG-131,investigational,,,,,,Z12,,ZINC000006485945,CHEMBL1236924,50428854,,,10229498,ClC1=CC=C(C(Cl)=C1)S(=O)(=O)NC1=CC(Cl)=C(OC2=CN=C3C=CC=CC3=C2)C(Cl)=C1,"InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H",NMRWDFUZLLQSBN-UHFFFAOYSA-N
DB05491,262438-43-7,ATN-161,investigational,"['10692269', '16985061', '17170016', '3901353', '16705310', '12220331', '12584749', '17148665']",,,,,,,ZINC000003924034,CHEMBL4297456,,ATN 161,,9960285,CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O,"InChI=1S/C23H35N9O8S/c1-11(34)32-4-2-3-17(32)23(40)29-14(5-12-7-26-10-27-12)20(37)30-15(8-33)21(38)31-16(9-41)22(39)28-13(19(25)36)6-18(24)35/h7,10,13-17,33,41H,2-6,8-9H2,1H3,(H2,24,35)(H2,25,36)(H,26,27)(H,28,39)(H,29,40)(H,30,37)(H,31,38)/t13-,14-,15-,16-,17-/m0/s1",MMHDBUJXLOFTLC-WOYTXXSLSA-N
DB05492,,Epicept NP-1,investigational,"['16549702', '15983466', '16202956', '12818961']",,,,,NP1,,ZINC000028644947,CHEMBL609728,50398244,,,5276854,CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O,"InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3",FKZUPMCBVURANR-UHFFFAOYSA-N
DB05493,,NX-1207,investigational,15834452,,,,,,,,,,,,,,,
DB05494,188181-42-2,Elacytarabine,investigational,15037202,,,,,,,,CHEMBL2105665,,CP 4055,177700,6438895,CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,"InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1",FLFGNMFWNBOBGE-FNNZEKJRSA-N
DB05495,291533-11-4,PG-530742,investigational,16428338,,,,,,,,CHEMBL4297318,,PG-116800,,9848869,COC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC#CCN1CCOCC1)C(O)=O,"InChI=1S/C24H27N3O7S/c1-33-20-9-5-18(6-10-20)23(28)25-19-7-11-21(12-8-19)35(31,32)26-22(24(29)30)4-2-3-13-27-14-16-34-17-15-27/h5-12,22,26H,4,13-17H2,1H3,(H,25,28)(H,29,30)",JAYVKNDQKXUNOJ-UHFFFAOYSA-N
DB05496,881191-44-2,Otelixizumab,investigational,9344598,,,,,,,,,,,,,,,
DB05498,,KW-7158,investigational,"['12133596', '15010502']",,,,,,,ZINC000001546374,CHEMBL289288,,,,9844981,C[C@](O)(C(=O)NC1=CC=CC2=C1C(=O)C1=C(CS2(=O)=O)C=CS1)C(F)(F)F,"InChI=1S/C16H12F3NO5S2/c1-15(23,16(17,18)19)14(22)20-9-3-2-4-10-11(9)12(21)13-8(5-6-26-13)7-27(10,24)25/h2-6,23H,7H2,1H3,(H,20,22)/t15-/m0/s1",NAFSYPCVPLWHFY-HNNXBMFYSA-N
DB05499,,TAK-428,investigational,,,,,,,,,,,,,,,,
DB05500,,AVN-944,investigational,"['17462731', '17659481']",,,,,,,,,,,,,,,
DB05501,558447-26-0,AMD-070,investigational,"['16114975', '15473043', '15892586', '17452489', '15934866']",,,,,,,ZINC000033359232,CHEMBL518924,50315305,AMD-11070,138865,11256587,NCCCCN(CC1=NC2=CC=CC=C2N1)[C@H]1CCCC2=C1N=CC=C2,"InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1",WVLHHLRVNDMIAR-IBGZPJMESA-N
DB05502,,AG-858,investigational,,,,,,,,,,,,,,,,
DB05505,,NM-702,investigational,"['17850826', '17174195', '9503394', '17615797']",,,,,,,,,,,,,,,
DB05506,,ISIS 113715,investigational,,,,,,,,,,,,,,,,
DB05507,,VX-765,investigational,"['18081302', '16081838', '16886979', '17311555', '17289835', '16375749']",,,,,,,,,,,,,,,
DB05509,,LI-301,investigational,,,,,,,,,,,,,,,,
DB05511,152918-18-8,Piclidenoson,investigational,17922624,,,,,,,ZINC000003811810,CHEMBL119709,50118812,,73286,123683,CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC(I)=CC=C3)N=CN=C12,"InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1",HUJXGQILHAUCCV-MOROJQBDSA-N
DB05512,,MM-093,investigational,18041671,,,,,,,,,,,,,,,
DB05513,123018-47-3,Atiprimod,investigational,,,,,,,,ZINC000001540226,CHEMBL103735,,ATIPRIMOD,,129869,CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1,"InChI=1S/C22H44N2/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4/h5-20H2,1-4H3",SERHTTSLBVGRBY-UHFFFAOYSA-N
DB05514,333963-42-1,Cobiprostone,investigational,,,,,,,,,CHEMBL2103799,,COBIPROSTONE,,16757521,CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(O)=O)O1,"InChI=1S/C21H34F2O5/c1-3-14(2)13-20(22,23)21(27)11-10-16-15(17(24)12-18(16)28-21)8-6-4-5-7-9-19(25)26/h14-16,18,27H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16+,18+,21+/m0/s1",SDDSJMXGJNWMJY-BRHAQHMBSA-N
DB05516,864272-70-8,PI-0824,investigational,,,,,,,,,,,,,,,,
DB05518,280782-97-0,Managlinat dialanetil,investigational,"['19014931', '15911772']",,,,,,,,CHEMBL259771,50322043,,,9811837,[H][C@@](C)(NP(=O)(N[C@@]([H])(C)C(=O)OCC)C1=CC=C(O1)C1=C(CC(C)C)SC(N)=N1)C(=O)OCC,"InChI=1S/C21H33N4O6PS/c1-7-29-19(26)13(5)24-32(28,25-14(6)20(27)30-8-2)17-10-9-15(31-17)18-16(11-12(3)4)33-21(22)23-18/h9-10,12-14H,7-8,11H2,1-6H3,(H2,22,23)(H2,24,25,28)/t13-,14-/m0/s1",BYKBUQDQTLDNLE-KBPBESRZSA-N
DB05519,335148-45-3,Budiodarone,investigational,,,,,,,,,CHEMBL2105631,,ATI-2042,,9833332,CC[C@H](C)OC(=O)CC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2,"InChI=1S/C27H31I2NO5/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3/t17-/m0/s1",ZXOSVKYCXLTVGS-KRWDZBQOSA-N
DB05520,180694-97-7,Mimopezil,investigational,,,,,,,,ZINC000000603736,,,,,,[H][C@@]12CC3=C(C=CC(=O)N3)[C@](CC(C)=C1)(\N=C\C1=CC(Cl)=CC(OC)=C1O)\C2=C\C,"InChI=1S/C23H23ClN2O3/c1-4-17-14-7-13(2)11-23(17,18-5-6-21(27)26-19(18)9-14)25-12-15-8-16(24)10-20(29-3)22(15)28/h4-8,10,12,14,28H,9,11H2,1-3H3,(H,26,27)/b17-4+,25-12+/t14-,23+/m0/s1",UYRWZANUXPUEPQ-ALWBHENDSA-N
DB05521,402957-28-2,Telaprevir,"['withdrawn', 'approved']","['28497432', '22332992', '25585348', '18479202', '22180548', '22954756']",J05AP02,D09012,1102261,PA165958354,,4173,ZINC000003992480,CHEMBL231813,50326056,INCIVO,68595,3010818,[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1,"InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1",BBAWEDCPNXPBQM-GDEBMMAJSA-N
DB05524,257933-82-7,Pelitinib,investigational,"['16364494', '18053062']",,,,,93J,,ZINC000000602803,CHEMBL607707,31090,EKB-569,38927,6445562,CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC1=CC(Cl)=C(F)C=C1)=C(C=N2)C#N,"InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+",WVUNYSQLFKLYNI-AATRIKPKSA-N
DB05525,,EW-A-401,investigational,,,,,,,,,,,,,,,,
DB05528,1000120-98-8,Mipomersen,"['approved', 'investigational']","['17030687', '23564617']",C10AX11,D08946,1367839,,,,,,,,,,COCCO[C@H]1[C@@H](O)[C@H](COP(O)(=O)S[C@H]2[C@H](COP(O)(=O)S[C@H]3[C@H](COP(O)(=O)S[C@H]4[C@H](COP(O)(=O)S[C@@H]5[C@@H](COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)S[C@@H]6[C@@H](COP(O)(=O)S[C@@H]7[C@@H](COP(O)(=O)S[C@@H]8[C@@H](COP(O)(=O)S[C@@H]9[C@@H](COP(O)(=O)S[C@@H]%10[C@@H](CO)O[C@H]([C@@H]%10OCCOC)N%10C=NC%11=C%10N=C(N)NC%11=O)O[C@H]([C@@H]9OCCOC)N9C=C(C)C(N)=NC9=O)O[C@H]([C@@H]8OCCOC)N8C=C(C)C(N)=NC8=O)O[C@H]([C@@H]7OCCOC)N7C=C(C)C(=O)NC7=O)O[C@H]([C@@H]6OCCOC)N6C=C(C)C(N)=NC6=O)N6C=NC7=C6N=CN=C7N)N6C=NC7=C6N=C(N)NC7=O)N6C=C(C)C(=O)NC6=O)N6C=C(C)C(N)=NC6=O)N6C=C(C)C(=O)NC6=O)N6C=NC7=C6N=C(N)NC7=O)N6C=C(C)C(N)=NC6=O)N6C=C(C)C(=O)NC6=O)N6C=C(C)C(=O)NC6=O)N6C=C(C)C(N)=NC6=O)O[C@H]([C@@H]5OCCOC)N5C=NC6=C5N=C(N)NC6=O)O[C@@H]([C@H]4OCCOC)N4C=C(C)C(N)=NC4=O)O[C@@H]([C@H]3OCCOC)N3C=NC4=C3N=CN=C4N)O[C@@H]([C@H]2OCCOC)N2C=C(C)C(N)=NC2=O)O[C@@H]1N1C=C(C)C(N)=NC1=O,"InChI=1S/C230H324N67O122P19S19/c1-97-55-278(217(309)256-177(97)231)141-45-131(112(400-141)70-381-422(327,328)442-136-50-146(283-66-108(12)196(302)275-228(283)320)406-118(136)76-387-427(337,338)448-140-54-150(294-93-253-154-191(294)266-214(243)270-200(154)306)409-120(140)78-389-428(339,340)446-138-52-148(292-91-250-151-186(240)246-89-248-188(151)292)407-121(138)79-390-430(343,344)450-169-124(413-204(160(169)373-37-27-363-17)286-59-101(5)181(235)260-221(286)313)83-394-435(353,354)455-174-128(417-209(165(174)378-42-32-368-22)291-68-110(14)198(304)277-230(291)322)87-396-434(351,352)453-172-126(415-207(163(172)376-40-30-366-20)289-62-104(8)184(238)263-224(289)316)85-395-433(349,350)452-171-123(412-206(162(171)375-39-29-365-19)288-61-103(7)183(237)262-223(288)315)82-393-432(347,348)449-168-111(69-298)410-211(159(168)372-36-26-362-16)296-95-254-155-192(296)267-215(244)271-201(155)307)439-420(323,324)384-74-117-137(51-147(405-117)284-67-109(13)197(303)276-229(284)321)444-425(333,334)388-77-119-139(53-149(408-119)293-92-252-153-190(293)265-213(242)269-199(153)305)447-426(335,336)386-71-113-132(46-142(401-113)279-56-98(2)178(232)257-218(279)310)440-421(325,326)383-73-115-135(49-145(403-115)282-65-107(11)195(301)274-227(282)319)443-424(331,332)385-75-116-134(48-144(404-116)281-64-106(10)194(300)273-226(281)318)441-423(329,330)382-72-114-133(47-143(402-114)280-57-99(3)179(233)258-219(280)311)445-429(341,342)392-81-129-176(167(380-44-34-370-24)212(419-129)297-96-255-156-193(297)268-216(245)272-202(156)308)457-438(359,360)398-86-127-173(164(377-41-31-367-21)208(416-127)290-63-105(9)185(239)264-225(290)317)454-436(355,356)399-88-130-175(166(379-43-33-369-23)210(418-130)295-94-251-152-187(241)247-90-249-189(152)295)456-437(357,358)397-84-125-170(161(374-38-28-364-18)205(414-125)287-60-102(6)182(236)261-222(287)314)451-431(345,346)391-80-122-157(299)158(371-35-25-361-15)203(411-122)285-58-100(4)180(234)259-220(285)312/h55-68,89-96,111-150,157-176,203-212,298-299H,25-54,69-88H2,1-24H3,(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H2,231,256,309)(H2,232,257,310)(H2,233,258,311)(H2,234,259,312)(H2,235,260,313)(H2,236,261,314)(H2,237,262,315)(H2,238,263,316)(H2,239,264,317)(H2,240,246,248)(H2,241,247,249)(H,273,300,318)(H,274,301,319)(H,275,302,320)(H,276,303,321)(H,277,304,322)(H3,242,265,269,305)(H3,243,266,270,306)(H3,244,267,271,307)(H3,245,268,272,308)/t111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123-,124-,125+,126-,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,157+,158+,159-,160-,161+,162-,163-,164+,165-,166+,167-,168-,169-,170+,171-,172-,173+,174-,175+,176-,203+,204-,205+,206-,207-,208+,209-,210+,211-,212-/m1/s1",TZRFSLHOCZEXCC-HIVFKXHNSA-N
DB05530,957255-05-9,CPG 10101,investigational,17929306,,,,,,,,,,,,,,,
DB05531,13415-58-2,alpha-Pyrrolidinononanophenone,investigational,,,,,,,,,CHEMBL4297419,,,,69247748,CCCCCCCC(N1CCCC1)C(=O)C1=CC=CC=C1,"InChI=1S/C19H29NO/c1-2-3-4-5-9-14-18(20-15-10-11-16-20)19(21)17-12-7-6-8-13-17/h6-8,12-13,18H,2-5,9-11,14-16H2,1H3",RYJXAZXFWIWTOJ-UHFFFAOYSA-N
DB05532,452296-83-2,BMS-488043,investigational,16955683,,,,,,,ZINC000028826898,CHEMBL238103,50228465,,,507806,COC1=C2C(NC=C2C(=O)C(=O)N2CCN(CC2)C(=O)C2=CC=CC=C2)=C(OC)N=C1,"InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3",DBPMWRYLTBNCCE-UHFFFAOYSA-N
DB05533,,QR-333,investigational,16112498,,,,,,,,,,,,,,,
DB05540,5854-93-3,Alanosine,investigational,"['16103098', '18618081']",,,,,AL0,,ZINC000004214744,CHEMBL452715,,ALANOSINE,,90657278,N[C@@H](CN(O)N=O)C(O)=O,"InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1",MLFKVJCWGUZWNV-REOHCLBHSA-N
DB05541,357336-20-0,Brivaracetam,"['approved', 'investigational']","['19914041', '18341673', '17908923', '17223857', '27265781', '21575627']",N03AX23,D08879,1739745,PA166153491,,5068,ZINC000003979899,CHEMBL607400,50422531,BRIVARACETAM,133013,9837243,CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1,"InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1",MSYKRHVOOPPJKU-BDAKNGLRSA-N
DB05542,860174-12-5,Naronapride,investigational,17187586,,,,,,,,CHEMBL2103858,,ATI-7505,,11237985,CO[C@H]1CN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)CC[C@H]1NC(=O)C1=C(OC)C=C(N)C(Cl)=C1,"InChI=1S/C27H41ClN4O5/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34)/t22-,24+,25+/m1/s1",VGDDOIZXGFJDRC-VJTSUQJLSA-N
DB05545,877879-38-4,AMG 108,investigational,,,,,,,,,,,,,,,,
DB05546,618430-39-0,SB-743921,investigational,,,,,,6LX,,ZINC000034039290,CHEMBL2325429,50427294,SB-743921,,9936388,CC(C)[C@@H](N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=C(CC2=CC=CC=C2)C(=O)C2=CC=C(Cl)C=C2O1,"InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1",PGXYIBJJCLWJST-MUUNZHRXSA-N
DB05549,501364-91-6,INO-1001,investigational,,,,,,,,,,,,,11272610,CS(O)(=O)=O.O=C1NC2=C(CC3=C2C=CC(=C3)S(=O)(=O)NCCCN2CCOCC2)C2=CC=CC=C12,"InChI=1S/C23H25N3O4S.CH4O3S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26;1-5(2,3)4/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27);1H3,(H,2,3,4)",ICMWGKNAXGUKQN-UHFFFAOYSA-N
DB05550,640735-09-7,Iratumumab,investigational,,,,,,,,,,,,,,,,
DB05552,677297-51-7,TG100-115,investigational,17685602,,,,,B6J,,ZINC000006718666,CHEMBL230011,25084,,94691,10427712,NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C(=NC2=N1)C1=CC(O)=CC=C1,"InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)",UJIAQDJKSXQLIT-UHFFFAOYSA-N
DB05553,787548-03-2,Regrelor,investigational,,,,1313722,,,,ZINC000029124639,CHEMBL1162175,50371580,INS50589,,11273179,[H][C@]12O[C@@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(O)=O)N1C=NC2=C1N=CN=C2NC(=O)NCC)\C=C\C1=CC=CC=C1,"InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1",NXHAXEBZOXCDKD-XIXRRVGJSA-N
DB05555,909875-08-7,Enokizumab,investigational,,,,,,,,,,,,,,,,
DB05559,,NF-kappaB Decoy,investigational,,,,,,,,,,,,,,,,
DB05560,949100-39-4,Delcasertib,investigational,,,,,,,,,,,,,145994600,[H][C@](N)(CSSC[C@]([H])(N)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=NCC(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=O)C(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC(C)C)C(O)=NCC(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CC(C)C)C(O)=O,"InChI=1S/C120H199N45O34S2/c1-61(2)48-80(96(179)145-55-92(174)148-86(56-166)110(193)163-85(114(198)199)49-62(3)4)159-106(189)78(37-39-93(175)176)156-107(190)83(52-65-30-34-67(170)35-31-65)161-112(195)88(58-168)165-109(192)84(53-90(126)172)162-108(191)82(50-63-18-6-5-7-19-63)160-111(194)87(57-167)164-95(178)69(124)60-201-200-59-68(123)94(177)158-81(51-64-28-32-66(169)33-29-64)97(180)146-54-91(173)147-70(22-12-42-139-115(127)128)98(181)149-71(20-8-10-40-121)99(182)150-72(21-9-11-41-122)100(183)151-73(23-13-43-140-116(129)130)101(184)152-75(25-15-45-142-118(133)134)103(186)155-77(36-38-89(125)171)105(188)154-74(24-14-44-141-117(131)132)102(185)153-76(26-16-46-143-119(135)136)104(187)157-79(113(196)197)27-17-47-144-120(137)138/h5-7,18-19,28-35,61-62,68-88,166-170H,8-17,20-27,36-60,121-124H2,1-4H3,(H2,125,171)(H2,126,172)(H,145,179)(H,146,180)(H,147,173)(H,148,174)(H,149,181)(H,150,182)(H,151,183)(H,152,184)(H,153,185)(H,154,188)(H,155,186)(H,156,190)(H,157,187)(H,158,177)(H,159,189)(H,160,194)(H,161,195)(H,162,191)(H,163,193)(H,164,178)(H,165,192)(H,175,176)(H,196,197)(H,198,199)(H4,127,128,139)(H4,129,130,140)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m0/s1",XPXZTVWPRKJTAA-PJKOMPQUSA-N
DB05562,740873-06-7,Naluzotan,investigational,,,,,,,,ZINC000003963096,CHEMBL209821,50187377,NALUZOTAN,,11430856,CC(=O)NC1=CC=CC(=C1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1,"InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)",SPWZXWDPAWDKQE-UHFFFAOYSA-N
DB05565,747408-78-2,PBT-1033,investigational,,,,,,,,,CHEMBL3634131,,,,10016012,CN(C)CC1=CC=C2C(Cl)=CC(Cl)=C(O)C2=N1,"InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3",YZPOQCQXOSEMAZ-UHFFFAOYSA-N
DB05575,453562-69-1,Motesanib,investigational,,,,,PA166118340,706,,ZINC000018710082,CHEMBL572881,24773,AMG 706,51098,11667893,CC1(C)CNC2=CC(NC(=O)C3=C(NCC4=CC=NC=C4)N=CC=C3)=CC=C12,"InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)",RAHBGWKEPAQNFF-UHFFFAOYSA-N
DB05578,947687-13-0,Ramucirumab,"['approved', 'investigational']","['25281695', '11774295', '25378934', '2182794', '26048277', '24277700', '20048182', '19636328']",L01XC21,D09371,1535922,,,,,,,,,,,,
DB05580,1169717-01-4,TRU-015,investigational,,,,,,,,,,,,,,,,
DB05584,1186547-12-5,Praconase,investigational,,,,,,,,,,,,,,,,
DB05585,827031-83-4,Verubulin,investigational,,,,,,88U,,ZINC000035978229,CHEMBL492399,,AZIXA,,11414799,COC1=CC=C(C=C1)N(C)C1=NC(C)=NC2=C1C=CC=C2,"InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3",SNHCRNMVYDHVDT-UHFFFAOYSA-N
DB05586,677306-35-3,Facinicline,investigational,,,,,,,,ZINC000034057058,CHEMBL2151439,50393245,MEM-3454,,9970357,[H]N([C@@H]1CN2CCC1CC2)C(=O)C1=NN([H])C2=CC=CC=C12,"InChI=1S/C15H18N4O/c20-15(14-11-3-1-2-4-12(11)17-18-14)16-13-9-19-7-5-10(13)6-8-19/h1-4,10,13H,5-9H2,(H,16,20)(H,17,18)/t13-/m1/s1",TXCYUSKWBHUVEP-CYBMUJFWSA-N
DB05590,194785-19-8,Bedoradrine,investigational,,,,,,,,ZINC000000584203,CHEMBL2111083,85786,KUR-1246,,9963057,CN(C)C(=O)COC1=CC=C2CC[C@@H](CC2=C1)NC[C@H](O)C1=CC=C(O)C(CCO)=C1,"InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1",OANCEOSLKSTLTA-REWPJTCUSA-N
DB05592,195615-83-9,Blarcamesine,investigational,,,,,,,,,CHEMBL4297224,,BLARCAMESINE,,9882189,CN(C)CC1CCOC1(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H23NO/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3",BOTHKNZTGGXFEQ-UHFFFAOYSA-N
DB05594,868747-45-9,Cantuzumab ravtansine,investigational,,,D10454,,,,,,,,,,,,,
DB05595,896723-44-7,Farletuzumab,investigational,,,D09343,,,,,,,,,,,,,
DB05596,869493-21-0,PRX-03140,investigational,,,,,,,,,CHEMBL3306918,50456116,PRX-03140,,54677674,CC(C)N1C2=C(C=CS2)C(O)=C(C(=O)NCCCN2CCCCC2)C1=O,"InChI=1S/C19H27N3O3S/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24)",SCHKZZSVELPJKU-UHFFFAOYSA-N
DB05599,106096-92-8,Fibroblast growth factor-1,investigational,,,,1591916,,,,,,,,,,,,
DB05606,1072859-54-1,Beclanorsen,investigational,,,,,,,,,,,,,,,,
DB05607,,PRX-08066,investigational,,,,,,,,,CHEMBL4297322,,,,76972919,OC(=O)\C=C\C(O)=O.FC1=C(C=C(CN2CCC(CC2)NC2=C3C=C(Cl)SC3=NC=N2)C=C1)C#N,"InChI=1S/C19H17ClFN5S.C4H4O4/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22;5-3(6)1-2-4(7)8/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+",RPYIKXHIQXRXEM-WLHGVMLRSA-N
DB05608,125313-92-0,MKC-1,investigational,,,,,,,,ZINC000000602485,CHEMBL52885,2622,R-440,,5327686,CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC(=CC=C12)[N+]([O-])=O,"InChI=1S/C22H16N4O4/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-9-12(26(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,23,27,28)",OVSKGTONMLKNPZ-UHFFFAOYSA-N
DB05611,541550-19-0,Apilimod,investigational,,,,,,,,ZINC000011726230,CHEMBL4297643,,STA 5326,,10173277,CC1=CC=CC(\C=N\NC2=CC(=NC(OCCC3=CC=CC=N3)=N2)N2CCOCC2)=C1,"InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+",HSKAZIJJKRAJAV-KOEQRZSOSA-N
DB05616,238074-89-0,"4'-Methylene-5,8,10-trideazaaminopterin",investigational,,,,,,,,,CHEMBL4802141,,CH-1504,,9846537,NC1=NC2=CC=C(CCC3=CC=C(C=C3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)C=C2C(N)=N1,"InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)",NAWXUBYGYWOOIX-UHFFFAOYSA-N
DB05620,,AVI-4065,investigational,,,,,,,,,,,,,,,,
DB05624,151272-78-5,Teverelix,investigational,,,,,,,,,,,,,16135076,CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,"InChI=1S/C74H100ClN15O14/c1-43(2)35-57(66(96)84-56(19-10-11-32-79-44(3)4)73(103)90-34-14-20-63(90)72(102)81-45(5)64(76)94)85-65(95)55(18-9-12-33-80-74(77)104)83-68(98)59(38-48-24-29-54(93)30-25-48)88-71(101)62(42-91)89-70(100)61(40-50-15-13-31-78-41-50)87-69(99)60(37-47-22-27-53(75)28-23-47)86-67(97)58(82-46(6)92)39-49-21-26-51-16-7-8-17-52(51)36-49/h7-8,13,15-17,21-31,36,41,43-45,55-63,79,91,93H,9-12,14,18-20,32-35,37-40,42H2,1-6H3,(H2,76,94)(H,81,102)(H,82,92)(H,83,98)(H,84,96)(H,85,95)(H,86,97)(H,87,99)(H,88,101)(H,89,100)(H3,77,80,104)/t45-,55-,56+,57+,58-,59+,60-,61-,62+,63+/m1/s1",NOENHWMKHNSHGX-IAOPALDYSA-N
DB05625,1030384-98-5,CTCE-9908,investigational,,,,,,,,,CHEMBL3544949,,,,16186350,CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O,"InChI=1S/C86H147N27O23/c1-45(2)35-58(104-81(133)64(43-116)110-83(135)68(47(5)6)112-66(120)39-99-71(123)53(89)17-9-12-30-87)75(127)108-62(41-114)79(131)106-60(37-49-22-26-51(118)27-23-49)77(129)102-56(20-15-33-97-85(92)93)73(125)96-32-14-11-19-55(70(91)122)101-74(126)57(21-16-34-98-86(94)95)103-78(130)61(38-50-24-28-52(119)29-25-50)107-80(132)63(42-115)109-76(128)59(36-46(3)4)105-82(134)65(44-117)111-84(136)69(48(7)8)113-67(121)40-100-72(124)54(90)18-10-13-31-88/h22-29,45-48,53-65,68-69,114-119H,9-21,30-44,87-90H2,1-8H3,(H2,91,122)(H,96,125)(H,99,123)(H,100,124)(H,101,126)(H,102,129)(H,103,130)(H,104,133)(H,105,134)(H,106,131)(H,107,132)(H,108,127)(H,109,128)(H,110,135)(H,111,136)(H,112,120)(H,113,121)(H4,92,93,97)(H4,94,95,98)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,68-,69-/m0/s1",VUYRSKROGTWHDC-HZGLMRDYSA-N
DB05626,857402-23-4,Retaspimycin,investigational,,,,,,,,ZINC000043128334,CHEMBL1184904,,IPI-504,71975,11534420,CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(O)=CC(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)=C2O,"InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1",OAKGNIRUXAZDQF-TXHRRWQRSA-N
DB05630,16037-91-5,Sodium stibogluconate,"['approved', 'investigational']",16257344,P01CB02,D00582,8010,PA164743129,,4020,,,,,28148,,O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO,"InChI=1S/2C6H9O7.3Na.10H2O.2O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;10*1H2;;;;/q2*-3;3*+1;;;;;;;;;;;;-1;+3;+4/p-3/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1",YQDGWZZYGYKDLR-UZVLBLASSA-K
DB05631,173026-17-0,ALT-2074,investigational,"['8846621', '20002087']",,,,,,,,CHEMBL4297259,,BXT-51072,,130165,CC1(C)CN[Se]C2=CC=CC=C12,"InChI=1S/C10H13NSe/c1-10(2)7-11-12-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3",FXRYWOJYVGJZLE-UHFFFAOYSA-N
DB05633,32302-76-4,Glypromate,investigational,,,,,,,,ZINC000003776571,CHEMBL371315,,,163960,3080768,[H]N([H])CC(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C12H19N3O6/c13-6-9(16)15-5-1-2-8(15)11(19)14-7(12(20)21)3-4-10(17)18/h7-8H,1-6,13H2,(H,14,19)(H,17,18)(H,20,21)/t7-,8-/m0/s1",JJGBXTYGTKWGAT-YUMQZZPRSA-N
DB05638,870094-26-1,Asvasiran,investigational,,,,,,,,,,,,,,,,
DB05642,476148-82-0,DDP-225,investigational,,,,,,,,,,,,,6918194,O.Cl.CC1=CC2=C(N=C(N=C2S1)N1CCNCC1)C1=CC=CC=C1F,"InChI=1S/C17H17FN4S.ClH.H2O/c1-11-10-13-15(12-4-2-3-5-14(12)18)20-17(21-16(13)23-11)22-8-6-19-7-9-22;;/h2-5,10,19H,6-9H2,1H3;1H;1H2",SAURKKOJWIFYSR-UHFFFAOYSA-N
DB05643,951209-71-5,IRX-2,investigational,,,,,,,,,,,,,,,,
DB05644,815588-85-3,KP-1461,investigational,"['18411488', '15890415']",,,,,,,,CHEMBL4297297,,KP-1461,,51003457,CCCCCCCOC(=O)NC1=NC(=O)N(CN1)[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C16H28N4O6/c1-2-3-4-5-6-7-25-16(24)19-14-17-10-20(15(23)18-14)13-8-11(22)12(9-21)26-13/h11-13,21-22H,2-10H2,1H3,(H2,17,18,19,23,24)/t11-,12+,13+/m0/s1",SZWIAFVYPPMZML-YNEHKIRRSA-N
DB05645,258818-34-7,Larazotide,investigational,,,,,,,,ZINC000068009799,CHEMBL2105646,,LARAZOTIDE ACETATE,177799,9810532,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O,"InChI=1S/C32H55N9O10/c1-16(2)12-20(38-30(49)26(17(3)4)39-24(44)14-35-23(43)13-33)28(47)40-27(18(5)6)31(50)37-19(9-10-22(34)42)32(51)41-11-7-8-21(41)29(48)36-15-25(45)46/h16-21,26-27H,7-15,33H2,1-6H3,(H2,34,42)(H,35,43)(H,36,48)(H,37,50)(H,38,49)(H,39,44)(H,40,47)(H,45,46)/t19-,20-,21-,26-,27-/m0/s1",ORFLZNAGUTZRLQ-ZMBVWFSWSA-N
DB05649,,NTx-265,investigational,,,,,,,,,,,,,,,,
DB05650,627085-11-4,OT-551,investigational,,,,,,,,ZINC000034279410,CHEMBL4297313,,OT-551,,10131000,CC1(C)CC(CC(C)(C)N1O)OC(=O)C1CC1,"InChI=1S/C13H23NO3/c1-12(2)7-10(8-13(3,4)14(12)16)17-11(15)9-5-6-9/h9-10,16H,5-8H2,1-4H3",ZWEXEKJLDHNLLA-UHFFFAOYSA-N
DB05652,,VTP-201227,investigational,,,,,,,,,,,,,,,,
DB05653,367273-07-2,IRX-5183,investigational,17318068,,,,,,,ZINC000001909562,CHEMBL107430,50120065,NRX195183,,9867758,CC1(C)CCC(C)(C)C2=C1C=C(C(=O)NC1=CC(F)=C(C(O)=O)C(F)=C1)C(O)=C2Cl,"InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)",PNAWUIKCVQSLFG-UHFFFAOYSA-N
DB05656,728917-18-8,Veltuzumab,investigational,,,,,,,,,,,,,,,,
DB05659,141702-36-5,Faropenem medoxomil,investigational,"['18094341', '17402834']",,,,,,5145,ZINC000003806644,CHEMBL1257070,,A0026,134710,6918218,[H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCC1=C(C)OC(=O)O1)[C@@]1([H])CCCO1,"InChI=1S/C17H19NO8S/c1-7(19)11-14(20)18-12(13(27-15(11)18)9-4-3-5-23-9)16(21)24-6-10-8(2)25-17(22)26-10/h7,9,11,15,19H,3-6H2,1-2H3/t7-,9-,11+,15-/m1/s1",JQBKWZPHJOEQAO-DVPVEWDBSA-N
DB05660,1198367-70-2,D-JNKI-1,investigational,18322422,,,,,,,,CHEMBL4297348,,AM-111,,72941992,CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(O)=O,"InChI=1S/C164H285N65O41/c1-84(2)77-106(216-139(254)108(79-89-33-10-9-11-34-89)219-146(261)112-48-28-72-225(112)153(268)105(55-58-119(171)235)215-148(263)123(86(5)6)221-147(262)115-51-29-73-226(115)151(266)103(45-25-69-198-163(187)188)213-142(257)110(83-230)220-137(252)100(53-56-117(169)233)201-126(241)90(168)80-121(237)238)138(253)218-109(81-120(172)236)140(255)217-107(78-85(3)4)141(256)222-124(87(7)231)149(264)223-125(88(8)232)155(270)228-75-31-50-114(228)144(259)211-99(44-24-68-197-162(185)186)135(250)212-102(37-14-17-61-167)150(265)224-71-27-47-111(224)145(260)214-104(46-26-70-199-164(189)190)152(267)229-76-32-52-116(229)154(269)227-74-30-49-113(227)143(258)210-98(43-23-67-196-161(183)184)134(249)207-95(40-20-64-193-158(177)178)131(246)206-97(42-22-66-195-160(181)182)133(248)209-101(54-57-118(170)234)136(251)208-96(41-21-65-194-159(179)180)132(247)205-94(39-19-63-192-157(175)176)130(245)204-93(36-13-16-60-166)129(244)203-92(35-12-15-59-165)128(243)202-91(38-18-62-191-156(173)174)127(242)200-82-122(239)240/h9-11,33-34,84-88,90-116,123-125,230-232H,12-32,35-83,165-168H2,1-8H3,(H2,169,233)(H2,170,234)(H2,171,235)(H2,172,236)(H,200,242)(H,201,241)(H,202,243)(H,203,244)(H,204,245)(H,205,247)(H,206,246)(H,207,249)(H,208,251)(H,209,248)(H,210,258)(H,211,259)(H,212,250)(H,213,257)(H,214,260)(H,215,263)(H,216,254)(H,217,255)(H,218,253)(H,219,261)(H,220,252)(H,221,262)(H,222,256)(H,223,264)(H,237,238)(H,239,240)(H4,173,174,191)(H4,175,176,192)(H4,177,178,193)(H4,179,180,194)(H4,181,182,195)(H4,183,184,196)(H4,185,186,197)(H4,187,188,198)(H4,189,190,199)/t87-,88-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,123+,124+,125+/m0/s1",HRMVIAFZYCCHGF-BMCUWHFPSA-N
DB05662,,NP-50301,investigational,,,,,,,,,,,,,,,,
DB05667,142128-57-2,Levoketoconazole,"['approved', 'investigational']",,,,,PA450146,KLN,,ZINC000000643153,CHEMBL295698,31768,DIO-902,47518,47576,CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1",XMAYWYJOQHXEEK-ZEQKJWHPSA-N
DB05668,31645-39-3,Palifosfamide,investigational,,,,,,,,ZINC000001869573,CHEMBL889,,ZIO-201-T,80566,100427,OP(=O)(NCCCl)NCCCl,"InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)",BKCJZNIZRWYHBN-UHFFFAOYSA-N
DB05670,,ATL-104,investigational,18997832,,,,,,,,,,,,,,,
DB05671,,AC-100,investigational,"['15040834', '15153459', '16530063']",,,,,,,,,,,,,,,
DB05675,,EP-2104R,investigational,"['15937292', '16145001', '15738354', '19809344', '17379818', '15238457', '17620942', '16009790', '17948194']",,,,,,,,,,,,,,,
DB05676,608141-41-9,Apremilast,"['approved', 'investigational']","['25864487', '30984205', '21859393', '30775293', '26236137', '14717786', '29385021', '27869356', '26097790', '25477601', '15598081']",L04AA32,D08860,1492727,,A9L,4829,ZINC000030691736,CHEMBL514800,50248919,APREMILAST,78540,11561674,CCOC1=CC(=CC=C1OC)[C@@H](CS(C)(=O)=O)N1C(=O)C2=CC=CC(NC(C)=O)=C2C1=O,"InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1",IMOZEMNVLZVGJZ-QGZVFWFLSA-N
DB05678,913541-47-6,SLx-4090,investigational,21406547,,,,,,,ZINC000072316409,CHEMBL4297326,,SLX-4090,,53497429,COC1=CC=CC(C(=O)NC2=CC3=C(CN(CC3)C(=O)OC3=CC=CC=C3)C=C2)=C1C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C31H25F3N2O4/c1-39-27-9-5-8-26(28(27)20-10-13-23(14-11-20)31(32,33)34)29(37)35-24-15-12-22-19-36(17-16-21(22)18-24)30(38)40-25-6-3-2-4-7-25/h2-15,18H,16-17,19H2,1H3,(H,35,37)",AZUIUVJESCFSLJ-UHFFFAOYSA-N
DB05679,815610-63-0,Ustekinumab,"['approved', 'investigational']","['22123062', '29949399', '20691190', '20421912', '12411982']",L04AC05,D09214,847083,,,,,,,,,,,,
DB05680,227318-75-4,Sotirimod,investigational,,,,,,,,ZINC000030691235,CHEMBL2107373,,,,6450818,CC(C)CN1C(C)=NC2=C1C1=NC=CC=C1N=C2N,"InChI=1S/C14H17N5/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11/h4-6,8H,7H2,1-3H3,(H2,15,18)",ZXBCLVSLRUWISJ-UHFFFAOYSA-N
DB05683,123748-56-1,Iodofiltic acid I-123,investigational,,,D06608,,,,,,CHEMBL3989901,,,31683,636427,CC(CCCCCCCCCCCCC1=CC=C([123I])C=C1)CC(O)=O,"InChI=1S/C22H35IO2/c1-19(18-22(24)25)12-10-8-6-4-2-3-5-7-9-11-13-20-14-16-21(23)17-15-20/h14-17,19H,2-13,18H2,1H3,(H,24,25)/i23-4",NPCIWINHUDIWAV-NSYCNWAXSA-N
DB05685,,FX06,investigational,17019083,,,,,,,,,,,,,,,
DB05686,2675-35-6,Sivifene,investigational,,,,,,,,ZINC000003914981,CHEMBL307697,,A-007,,3089902,OC1=CC=C(C=C1)C(=NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C1=CC=C(O)C=C1,"InChI=1S/C19H14N4O6/c24-15-6-1-12(2-7-15)19(13-3-8-16(25)9-4-13)21-20-17-10-5-14(22(26)27)11-18(17)23(28)29/h1-11,20,24-25H",YOQPCWIXYUNEET-UHFFFAOYSA-N
DB05687,,BL-1020,investigational,,,,,,,,,,,,,,,,
DB05688,,CRx-119,investigational,,,,,,,,,,,,,,,,
DB05695,284035-33-2,NPS-2143,investigational,,,,,,,,ZINC000003975668,CHEMBL180672,50161093,,,6918446,CC(C)(CC1=CC=C2C=CC=CC2=C1)NC[C@@H](O)COC1=CC=CC(Cl)=C1C#N,"InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1",PZUJQWHTIRWCID-HXUWFJFHSA-N
DB05697,925681-61-4,Trabedersen,investigational,16377233,,,,,,,,,,,,,,,
DB05698,,GI-4000,investigational,,,,,,,,,,,,,,,,
DB05705,,ALS-08,investigational,,,,,,,,,,,,,,,,
DB05706,628290-43-7,13-deoxydoxorubicin,investigational,,,,,,,,ZINC000003921098,CHEMBL3249110,,GPX-100,,9829419,COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(CCO)C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(O)=C3C(=O)C2=CC=C1,"InChI=1S/C27H31NO10/c1-11-22(30)14(28)8-17(37-11)38-16-10-27(35,6-7-29)9-13-19(16)26(34)21-20(24(13)32)23(31)12-4-3-5-15(36-2)18(12)25(21)33/h3-5,11,14,16-17,22,29-30,32,34-35H,6-10,28H2,1-2H3/t11-,14-,16-,17-,22+,27-/m0/s1",RGVRUQHYQSORBY-JIGXQNLBSA-N
DB05708,148372-04-7,GTS-21,investigational,"['15205879', '12629535', '10515327', '10456692', '10942043']",,,,,ZY7,,ZINC000000000860,CHEMBL134713,50061564,GTS-21,188219,5310985,[H]\C(=C1\CCCN=C1C1=CN=CC=C1)C1=C(OC)C=C(OC)C=C1,"InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+",RPYWXZCFYPVCNQ-RVDMUPIBSA-N
DB05710,758669-50-0,Gantacurium,investigational,"['15087619', '15087618']",,,,,,,ZINC000253695755,CHEMBL1182997,,GW-280430A,,10102486,COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@@H]2C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,"InChI=1S/C53H69ClN2O14/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10/h24-32,40,50H,13-23H2,1-12H3/q+2/b39-32-/t40-,50+,55-,56+/m1/s1",ZQLDXCSTJFLRPY-RWBXLJKRSA-N
DB05712,,AZD-9684,investigational,,,,,,,,,,,,,,,,
DB05713,313489-71-3,LY-517717,investigational,,,,,,,,ZINC000036410989,CHEMBL1271162,50328742,,,9939865,CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)C1=CC=C2C=CNC2=C1)C1=CC=CC=C1,"InChI=1S/C27H33N5O2/c1-30-13-10-23(11-14-30)31-15-17-32(18-16-31)27(34)25(21-5-3-2-4-6-21)29-26(33)22-8-7-20-9-12-28-24(20)19-22/h2-9,12,19,23,25,28H,10-11,13-18H2,1H3,(H,29,33)/t25-/m1/s1",VYNKVNDKAOGAAQ-RUZDIDTESA-N
DB05714,871576-03-3,Flovagatran,investigational,,,,,,,,ZINC000169746723,,,,,9871747,COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)B(O)O,"InChI=1S/C27H36BN3O7/c1-37-17-9-15-24(28(35)36)30-25(32)23-14-8-16-31(23)26(33)22(18-20-10-4-2-5-11-20)29-27(34)38-19-21-12-6-3-7-13-21/h2-7,10-13,22-24,35-36H,8-9,14-19H2,1H3,(H,29,34)(H,30,32)/t22-,23+,24+/m1/s1",PAOGOXGDGABPSC-SGNDLWITSA-N
DB05718,,Maxy-G34,investigational,,,,,,,,,,,,,,,,
DB05719,488832-69-5,Elesclomol,investigational,"['16784029', '17255281']",,D08909,,,,,ZINC000001716098,CHEMBL1972860,,ELESCLOMOL,79369,300471,CN(NC(=O)CC(=O)NN(C)C(=S)C1=CC=CC=C1)C(=S)C1=CC=CC=C1,"InChI=1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)",BKJIXTWSNXCKJH-UHFFFAOYSA-N
DB05721,308239-86-3,EVT 201,investigational,,,,,,,,,,,,,9885841,CN(C)CC1=NC(=NO1)C1=C2CN(C)C(=O)C3=C(C=CC=C3Cl)N2C=N1,"InChI=1S/C17H17ClN6O2/c1-22(2)8-13-20-16(21-26-13)15-12-7-23(3)17(25)14-10(18)5-4-6-11(14)24(12)9-19-15/h4-6,9H,7-8H2,1-3H3",JCYLWUVDHLVGER-UHFFFAOYSA-N
DB05722,206991-64-2,CGC-11047,investigational,"['15872118', '17410332', '16950258']",,,,,,,,CHEMBL4296681,,,,9822383,Cl.Cl.Cl.Cl.CCNCCCNC\C=C/CNCCCNCC,"InChI=1S/C14H32N4.4ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;;;;/h5-6,15-18H,3-4,7-14H2,1-2H3;4*1H/b6-5-;;;;",MNJCMBNLXQCNHO-YGGCHVFLSA-N
DB05723,,ALKS 29,investigational,,,,,,,,,,,,,,,,
DB05724,467428-30-4,alpha-Conotoxin VC 1.1,investigational,,,,,,,,,CHEMBL3104237,50445324,,,91898634,CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2,"InChI=1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-44(56(74)105)27-120-122-30-47-65(114)88-43(26-95)62(111)87-42(23-54(103)104)70(119)94-18-6-8-48(94)66(115)81-36(7-4-16-78-71(75)76)57(106)90-46(29-123-121-28-45(63(112)91-47)80-51(98)24-72)64(113)84-39(21-50(73)97)60(109)83-38(19-33-10-12-35(96)13-11-33)59(108)85-40(22-53(101)102)61(110)86-41(20-34-25-77-31-79-34)69(118)93-17-5-9-49(93)67(116)82-37(58(107)92-55)14-15-52(99)100/h10-13,25,31-32,36-49,55,95-96H,3-9,14-24,26-30,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,79)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,78)/t32-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1",KJQOYUHYAZGPIZ-PIJHVLQJSA-N
DB05730,,PMI-001,investigational,,,,,,,,,,,,,,,,
DB05732,183133-72-4,Strontium malonate,investigational,,,,,,,,,,,,,10313457,[Sr++].[O-]C(=O)CC([O-])=O,"InChI=1S/C3H4O4.Sr/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+2/p-2",LVZZABGEQTZXHP-UHFFFAOYSA-L
DB05735,722454-12-8,Cefilavancin,investigational,,,,,,,,,CHEMBL4297645,,TD-1792,,76960417,[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCCCNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)C4=CC=C(OC5=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@]6([H])O[C@H]6C[C@](C)(N)[C@H](O)[C@H](C)O6)C(OC6=C(Cl)C=C(C=C6)[C@H]2O)=CC3=C5)C(Cl)=C4)C2=CC(=C(O)C=C2)C2=C1C=C(O)C=C2O)\C1=C(Cl)SC(N)=N1)C([O-])=O,"InChI=1S/C87H95Cl3N16O28S2/c1-33(2)20-45(94-5)74(117)100-62-66(112)36-11-14-49(43(88)22-36)130-51-24-38-25-52(70(51)134-85-71(69(115)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)131-50-15-12-37(23-44(50)89)67(113)63-81(124)99-59(42-26-40(108)27-48(110)56(42)41-21-35(10-13-47(41)109)57(77(120)101-63)98-78(121)58(38)97-75(118)46(28-54(91)111)96-80(62)123)76(119)95-16-9-19-128-104-61(60-73(90)136-86(92)103-60)79(122)102-64-82(125)106-65(84(126)127)39(32-135-83(64)106)30-105-17-7-6-8-18-105/h6-8,10-15,17-18,21-27,33-34,45-46,53,55,57-59,62-64,66-69,71-72,83,85,94,107,112-116H,9,16,19-20,28-32,93H2,1-5H3,(H15-,91,92,95,96,97,98,99,100,101,102,103,104,108,109,110,111,117,118,119,120,121,122,123,124,126,127)/t34-,45+,46-,53+,55-,57+,58+,59-,62+,63-,64+,66+,67+,68+,69-,71+,72+,83+,85-,87-/m0/s1",OGUAFUAJSPORAH-KHCCTVBNSA-N
DB05736,,MIV-701,investigational,,,,,,,,,,,,,,,,
DB05737,172733-08-3,Varespladib methyl,investigational,,,,,,,,ZINC000001550156,CHEMBL2105659,,VARESPLADIB METHYL,192805,9886917,CCC1=C(C(=O)C(N)=O)C2=C(OCC(=O)OC)C=CC=C2N1CC1=CC=CC=C1,"InChI=1S/C22H22N2O5/c1-3-15-20(21(26)22(23)27)19-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(19)29-13-18(25)28-2/h4-11H,3,12-13H2,1-2H3,(H2,23,27)",VJYDOJXJUCJUHL-UHFFFAOYSA-N
DB05738,793655-64-8,Vapitadine,investigational,,,,,,,,ZINC000000008768,CHEMBL369075,50163629,,,9842252,NC(=O)C1=CN=C2N1CCC1=C(C=CC=C1)C21CCNCC1,"InChI=1S/C17H20N4O/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16/h1-4,11,19H,5-10H2,(H2,18,22)",VQWGYPVNVICKFC-UHFFFAOYSA-N
DB05739,,CYT006-AngQb,investigational,,,,,,,,,,,,,,,,
DB05740,,RPI-78M,investigational,,,,,,,,,,,,,,,,
DB05741,,AGS-005,investigational,,,,,,,,,,,,,,,,
DB05742,,AGS-004,investigational,,,,,,,,,,,,,,,,
DB05744,,CRx-139,investigational,,,,,,,,,,,,,,,,
DB05746,,PF-03187207,investigational,,,,,,,,,,,,,,,,
DB05747,,R-851,investigational,,,,,,,,,,,,,,,,
DB05749,,MPI-674,investigational,,,,,,,,,,,,,,,,
DB05750,,AVE-1625,investigational,,,,,,,,,,,,,,,,
DB05751,,RP01,investigational,,,,,,,,,,,,,,,,
DB05752,,ALKS 27,investigational,,,,,,,,,,,,,,,,
DB05753,,VSF-173,investigational,,,,,,,,,,,,,,,,
DB05754,,IPH 1101,investigational,,,,,,,,,,,,,,,,
DB05755,,BF-37,investigational,,,,,,,,,,,,,,,,
DB05756,,PAC-113,investigational,,,,,,,,,,,,,,,,
DB05757,,DNB-001,investigational,,,,,,,,,,,,,,,,
DB05758,,CYT007-TNFQb,investigational,,,,,,,,,,,,,,,,
DB05765,,ATX-201,investigational,,,,,,,,,,,,,,,,
DB05766,,ACP-104,investigational,,,,,,,,ZINC000003995781,CHEMBL845,50122054,,64050,135409468,,,
DB05767,5508-58-7,Andrographolide,investigational,,,,,,,,ZINC000003881797,CHEMBL186141,50084419,ANDROGRAPHOLIDE,65408,5318517,[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO,"InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1",BOJKULTULYSRAS-OTESTREVSA-N
DB05768,,Alkaline Phosphatase,investigational,,,,,,,,,,,,,,,,
DB05769,,LCP-AtorFen,investigational,,,,,,,,,,,,,,,,
DB05771,,LLL-3348,investigational,,,,,,,,,,,,,,,,
DB05772,872178-65-9,Rabeximod,investigational,,,,,,,,,,,,,56841552,CN(C)CCNC(=O)CN1C2=CC=C(Cl)C=C2C2=C1N=C1C=C(C)C(C)=CC1=N2,"InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)",PDNNUMNEXITLCZ-UHFFFAOYSA-N
DB05773,1018448-65-1,Trastuzumab emtansine,"['approved', 'investigational']",19010901,L01XC14,D09980,1371041,,,,,,,,,,,,
DB05775,,CRx-401,investigational,,,,,,,,,,,,,,,,
DB05776,,IC41,investigational,"['17686555', '16581161']",,,,,,,,,,,,,,,
DB05777,120313-91-9,Thrombomodulin Alfa,"['approved', 'investigational']","['15869592', '17059423', '17584906', '15456485', '27693845', '12211414']",,,,,,,,,,,,,,,
DB05778,,Col-118,investigational,,,,,,,,,,,,,,,,
DB05779,38101-59-6,Oglufanide,investigational,,,,,,,,ZINC000001576166,CHEMBL2111029,,OGLUFANIDE DISODIUM,73512,100094,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1",LLEUXCDZPQOJMY-AAEUAGOBSA-N
DB05780,,ATX-101,investigational,,,,,,,,,,,,,,,,
DB05785,178600-20-9,LGD-1550,investigational,12718664,,,,,ARL,,,CHEMBL89241,50052033,,,5287705,C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O,"InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+",JMPZTWDLOGTBPM-OUQSKUGOSA-N
DB05786,158440-71-2,Irofulven,investigational,"['10637489', '12231547']",,,,,,1483,ZINC000003916310,CHEMBL118218,50410835,MGI 114,135002,148189,CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1,"InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1",NICJCIQSJJKZAH-AWEZNQCLSA-N
DB05787,,LM-609,investigational,17390341,,,,,,,,,,,,,,,
DB05789,,MX6,investigational,,,,,,,,,,,,,,,,
DB05790,,SR 140333,investigational,"['7589394', '8858307']",,,,,,,,,,,,5311449,[Cl-].CC(C)OC1=CC=CC(CC(=O)N2CCC[C@](CC[N+]34CCC(CC3)(CC4)C3=CC=CC=C3)(C2)C2=CC(Cl)=C(Cl)C=C2)=C1,"InChI=1S/C37H45Cl2N2O2.ClH/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30;/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3;1H/q+1;/p-1/t36?,37-,41?;/m0./s1",NQHFSECYQAQZBN-SJYHNBSJSA-M
DB05791,423-55-2,Perflubron,investigational,"['17173933', '16476072']",V08CX01,,,,,2102,ZINC000008214650,CHEMBL1200866,,IMAGENT,38803,9873,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,"InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26",WTWWXOGTJWMJHI-UHFFFAOYSA-N
DB05792,132173-07-0,Arylacenamide,investigational,"['9618436', '15075666']",,,,,,,,,,,,6439330,Cl.CCN(C\C=C/C1=CC(Cl)=C(C=C1)C1CCCCC1)C1CCCCC1,"InChI=1S/C23H34ClN.ClH/c1-2-25(21-13-7-4-8-14-21)17-9-10-19-15-16-22(23(24)18-19)20-11-5-3-6-12-20;/h9-10,15-16,18,20-21H,2-8,11-14,17H2,1H3;1H/b10-9-;",HKHPCMBPASXYGP-KVVVOXFISA-N
DB05793,,PRO-542,investigational,"['15892586', '14742190']",,,,,,,,,,,,,,,
DB05794,99489-94-8,Serelaxin,investigational,"['18068999', '16873529']",C01DX21,,,,,,,,,,,,,,
DB05796,182821-27-8,Daglutril,investigational,"['12735234', '15246912']",,,,,,,ZINC000003919685,CHEMBL4799605,,,,3038505,CCOC(=O)[C@H](CCC1=CC=CC=C1)CC1(CCCC1)C(=O)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O,"InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1",XMQODGUTLZXUGZ-RPBOFIJWSA-N
DB05797,,TNX-901,investigational,15025403,,,,,,,,,,,,,,,
DB05798,255810-66-3,GEM-231,investigational,"['16049867', '16683205']",,,,,,,,,,,,,,,
DB05799,,NOX-100,investigational,"['10670631', '15043990']",,,,,,,,,,,,,,,
DB05800,646-08-2,Alethine,investigational,"['7923209', '10685004']",,,,,,,,CHEMBL1183627,,ALETHINE,,69532,NCCC(=O)NCCSSCCNC(=O)CCN,"InChI=1S/C10H22N4O2S2/c11-3-1-9(15)13-5-7-17-18-8-6-14-10(16)2-4-12/h1-8,11-12H2,(H,13,15)(H,14,16)",WELIVEBWRWAGOM-UHFFFAOYSA-N
DB05801,,GTI 2040,investigational,"['17569043', '11890366']",,,,,,,,,,,,,,,
DB05803,,ISIS 14803,investigational,16274834,,,,,,,,,,,,,,,
DB05804,651-48-9,Prasterone sulfate,investigational,"['18205106', '17491011', '18255343']",,,,,,4049,ZINC000004096458,CHEMBL259898,50375559,,16814,12594,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O,"InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1",CZWCKYRVOZZJNM-USOAJAOKSA-N
DB05805,195875-68-4,NS-2359,investigational,,,,,,,,,CHEMBL4297385,,NS2359,,68470595,COC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C,"InChI=1S/C16H21Cl2NO/c1-19-11-4-6-16(19)13(9-20-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,11-13,16H,4,6,8-9H2,1-2H3/t11-,12+,13+,16+/m0/s1",PGYDXVBZYKQYCS-VPWBDBDCSA-N
DB05806,203923-89-1,Cositecan,investigational,"['11004678', '14997342', '10692484']",,,,,,,ZINC000169746728,CHEMBL1997373,,BNP-1350,177492,148202,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(CC[Si](C)(C)C)C4=CC=CC=C4N=C13)C2=O,"InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1",POADTFBBIXOWFJ-VWLOTQADSA-N
DB05807,,HGTV-43,investigational,,,,,,,,,,,,,,,,
DB05808,,PI-88,investigational,"['17967543', '17000682']",,,,,,,,,,,,,,,
DB05809,,TA-CIN,investigational,"['12297390', '11395199']",,,,,,,,,,,,,,,
DB05810,,99mTc-glucarate,investigational,"['15208499', '15073263']",,,,,,,,,,,,,,,
DB05811,,HSV-2 theracine,investigational,15834452,,,,,,,,,,,,,,,
DB05812,154229-19-3,Abiraterone,approved,"['15150570', '23199349']",L02BX03,D09701,1100072,PA166123407,AER,,ZINC000003797541,CHEMBL254328,25458,CB 7598,68642,132971,[H][C@@]12CC=C(C3=CC=CN=C3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1",GZOSMCIZMLWJML-VJLLXTKPSA-N
DB05814,186268-78-0,GPI-1485,investigational,"['17200487', '14983983']",,,,,,,ZINC000033979157,CHEMBL4297382,,GPI 1485,,9837656,CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1",FOPALECPEUVCTL-QMMMGPOBSA-N
DB05815,,GnRH pharmaccine,investigational,10408837,,,,,,,,,,,,,,,
DB05817,173424-77-6,Laromustine,investigational,17146105,,,,,,,ZINC000001544545,CHEMBL167691,,ONRIGIN,,3081349,CNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O,"InChI=1S/C6H14ClN3O5S2/c1-8-6(11)10(17(3,14)15)9(5-4-7)16(2,12)13/h4-5H2,1-3H3,(H,8,11)",PVCULFYROUOVGJ-UHFFFAOYSA-N
DB05818,,SGN-15,investigational,11717821,,,,,,,,,,,,,,,
DB05819,,NBI-6024,investigational,"['12086942', '16398702']",,,,,,,,,,,,,,,
DB05820,,DP-b99,investigational,"['15963088', '14983980']",,,,,,,,,,,,,,,
DB05821,,DP-VPA,investigational,12137414,,,,,,,,,,,,,,,
DB05824,,CNS-5161,investigational,"['17455246', '11874394']",,,,,,,ZINC000005423063,CHEMBL41306,50096974,,,192711,CSC1=CC(\N=C(/N)N(C)C2=CC(SC)=CC=C2)=C(Cl)C=C1,"InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)",JHVHEDNLONERHY-UHFFFAOYSA-N
DB05825,,NCX 1015,investigational,"['12846443', '12427966']",,,,,,,,,,,,,,,
DB05826,,Prolease-r-hFSH,investigational,,,,,,,,,,,,,,,,
DB05827,,G207,investigational,"['17981691', '17505980']",,,,,,,,,,,,,,,
DB05828,,LU-31130,investigational,,,,,,,,,,,,,,,,
DB05829,9002-64-6,Parathyroid hormone,"['approved', 'investigational']",17590097,H05AA03,,1427222,,,,,,,,,,,,
DB05830,3764-87-2,Trestolone,investigational,"['17460095', '12141943']",,,,,,,ZINC000004217690,,,,,9838899,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H],"InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14+,15-,16+,17+,18-,19+/m1/s1",YSGQGNQWBLYHPE-CFUSNLFHSA-N
DB05831,,ING-1,investigational,"['14965442', '17693421']",,,,,,,,,,,,,,,
DB05832,290828-45-4,PPI-1019,investigational,,,,,,,,,,,,,9830969,CN[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(N)=O,"InChI=1S/C36H54N6O5/c1-22(2)18-27(32(37)43)39-34(45)29(20-25-14-10-8-11-15-25)40-35(46)30(21-26-16-12-9-13-17-26)41-36(47)31(24(5)6)42-33(44)28(38-7)19-23(3)4/h8-17,22-24,27-31,38H,18-21H2,1-7H3,(H2,37,43)(H,39,45)(H,40,46)(H,41,47)(H,42,44)/t27-,28-,29-,30-,31-/m1/s1",TUSUWHFYKZZRIG-JQWMYKLHSA-N
DB05834,,OC-1012,investigational,,,,,,,,,,,,,,,,
DB05835,265646-85-3,NS-3728,investigational,,,,,,,,,,,,,71587684,FC(F)(F)C1=CC(=CC(NC(=O)NC2=C(C=CC(Br)=C2)C2=NNN=N2)=C1)C(F)(F)F,"InChI=1S/C16H9BrF6N6O/c17-9-1-2-11(13-26-28-29-27-13)12(6-9)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)",OQRAKHDEGGGWQO-UHFFFAOYSA-N
DB05836,,AG-702,investigational,18303190,,,,,,,,,,,,,,,
DB05837,,OSI-7836,investigational,"['16985055', '15592840']",,,,,,,,,,,,92021889,Cl.NC1=NC(=S)N(C=C1)[C@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O,"InChI=1S/C9H13N3O5S.ClH/c10-5-1-2-12(8(18)11-5)9(16)7(15)6(14)4(3-13)17-9;/h1-2,4,6-7,13-16H,3H2,(H2,10,11,18);1H/t4-,6-,7+,9-;/m1./s1",RCWYXGAOCMUXHG-ZXBIKLPVSA-N
DB05838,,OPC-51803,investigational,11082435,,,,,,,ZINC000003828536,CHEMBL332447,50117486,,,3038506,CC(C)NC(=O)C[C@H]1CCCN(C(=O)C2=C(Cl)C=C(C=C2)N2CCCC2)C2=CC=CC=C12,"InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1",INGXCNVWWKKWOO-LJQANCHMSA-N
DB05839,,BG-777,investigational,,,,,,,,,,,,,,,,
DB05840,,AGI-1096,investigational,15239610,,,,,,,,,,,,,,,
DB05841,,AI-128,investigational,,,,,,,,,,,,,,,,
DB05842,,AI-850,investigational,"['15835739', '17545535']",,,,,,,,,,,,,,,
DB05843,,trans NV-04,investigational,,,,,,,,,,,,,,,,
DB05845,,NV-07a,investigational,,,,,,,,,,,,,,,,
DB05846,,Mito-4509,investigational,15298067,,,,,,,,,,,,,,,
DB05848,,humanized SMART Anti-IL-12 Antibody,investigational,,,,,,,,,,,,,,,,
DB05849,,NCX 950,investigational,15084649,,,,,,,,,,,,,,,
DB05851,,Biomed 101,investigational,,,,,,,,,,,,,,,,
DB05852,,cryopreserved human liver cells,investigational,"['15808612', '17154395']",,,,,,,,,,,,,,,
DB05854,,CLX-0921,investigational,"['11569941', '12898466']",,,,,,,,,,,,,,,
DB05855,15585-43-0,Rivanicline,investigational,"['17603674', '12170059', '11794523', '16715250']",,,,,,,ZINC000001543478,CHEMBL132966,50061561,,,5310967,CNCC\C=C\C1=CN=CC=C1,"InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+",JUOSGGQXEBBCJB-GORDUTHDSA-N
DB05856,,CPD 923,investigational,,,,,,,,,,,,,,,,
DB05857,,Q-Derp1,investigational,,,,,,,,,,,,,,,,
DB05858,,BI-K0376,investigational,,,,,,,,,,,,,,,,
DB05859,,PI-166,investigational,,,,,,,,,,,,,,,,
DB05860,,Peginterferon alfacon-1,investigational,"['17278224', '16545825', '16838659']",,,,,,,,,,,,,,,
DB05861,254964-60-8,Tasquinimod,investigational,"['17373719', '16955399']",,,,,,,ZINC000000602397,CHEMBL2107784,,TASQUINIMOD,,54682876,COC1=CC=CC2=C1C(O)=C(C(=O)N(C)C1=CC=C(C=C1)C(F)(F)F)C(=O)N2C,"InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3",ONDYALNGTUAJDX-UHFFFAOYSA-N
DB05863,,TRX1,investigational,,,,,,,,,,,,,,,,
DB05864,,PPI-2458,investigational,"['16638869', '16525646', '18209961']",,,,,,,,CHEMBL3527358,50088527,PPI-2458,,6918653,[H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N[C@H](C(C)C)C(N)=O)[C@@]1(C)O[C@@H]1CC=C(C)C,"InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1",QBDVVYNLLXGUGN-XGTBZJOHSA-N
DB05865,,VIT-100,investigational,,,,,,,,,,,,,,,,
DB05866,,ETC-1001,investigational,,,,,,,,,,,,,,,,
DB05867,,99mTc-14 F7 Mab,investigational,,,,,,,,,,,,,,,,
DB05868,300832-84-2,Ciluprevir,investigational,17919490,,,,,,,ZINC000150339466,CHEMBL297884,50142916,BILN-2061-ZW,,9853710,COC1=CC2=C(C=C1)C(O[C@H]1CN3C(=O)[C@H](CCCCC\C=C/[C@]4([H])C[C@@]4(C(O)=O)NC(=O)[C@]3([H])C1)NC(=O)OC1CCCC1)=CC(=N2)C1=CSC(NC(C)C)=N1,"InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1",PJZPDFUUXKKDNB-KNINVFKUSA-N
DB05869,617-35-6,Ethyl pyruvate,investigational,"['17895847', '18199399']",,,1539968,,9X7,,ZINC000001679741,CHEMBL173373,,PYRUVIC ACID ETHYL ESTER,173421,12041,CCOC(=O)C(C)=O,"InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3",XXRCUYVCPSWGCC-UHFFFAOYSA-N
DB05870,,anti-alpha5Beta1-integrin antibody,investigational,"['17024968', '18042290']",,,,,,,,,,,,,,,
DB05871,178870-32-1,UC-781,investigational,"['16611904', '17353240']",,,,,UC1,,ZINC000006069063,CHEMBL54893,50105629,,,3000926,CC(C)=CCOC1=C(Cl)C=CC(NC(=S)C2=C(C)OC=C2)=C1,"InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)",YZHIXLCGPOTQNB-UHFFFAOYSA-N
DB05873,,AVI-4020,investigational,,,,,,,,,,,,,,,,
DB05874,286475-30-7,AEOL-10150,investigational,"['17957541', '12374626']",,,,,,,,,,,,139600273,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3].CCN1C=C[N+](CC)=C1\C1=C2/C=CC(=N2)\C(=C2/[N-]\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C1[N-]2)C1=[N+](CC)C=CN1CC)C1=[N+](CC)C=CN1CC)\C1=[N+](CC)C=CN1CC,"InChI=1S/C48H56N12.5ClH.Mn/c1-9-53-25-26-54(10-2)45(53)41-33-17-19-35(49-33)42(46-55(11-3)27-28-56(46)12-4)37-21-23-39(51-37)44(48-59(15-7)31-32-60(48)16-8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-57(13-5)29-30-58(47)14-6;;;;;;/h17-32H,9-16H2,1-8H3;5*1H;/q+2;;;;;;+3/p-5",XMYHQLIAYLLEKT-UHFFFAOYSA-I
DB05875,110880-55-2,"Sar9, Met (O2)11-Substance P",investigational,"['2476938', '18289674']",,,,,,,,CHEMBL1651026,50335566,,,163829,CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O,"InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1",OUPXSLGGCPUZJJ-SARDKLJWSA-N
DB05879,,AME-527,investigational,,,,,,,,,,,,,,,,
DB05880,,MBT-0312,investigational,,,,,,,,,,,,,,,,
DB05881,,EHT 0202,investigational,,,,,,,,,,,,,,,,
DB05882,,CHF 4227,investigational,"['17367495', '16294271', '12235251']",,,,,,,,,,,,,,,
DB05883,,ABX-PTH,investigational,,,,,,,,,,,,,,,,
DB05884,,HCV-086,investigational,,,,,,2N5,,ZINC000038665621,,,,,10409873,CNC(=O)C1=C(OC2=CC(NS(C)(=O)=O)=C(OC(C)C)C=C12)C1=CC=C(F)C=C1,"InChI=1S/C20H21FN2O5S/c1-11(2)27-17-9-14-16(10-15(17)23-29(4,25)26)28-19(18(14)20(24)22-3)12-5-7-13(21)8-6-12/h5-11,23H,1-4H3,(H,22,24)",VBRUONUESYTIDA-UHFFFAOYSA-N
DB05885,357336-74-4,Seletracetam,investigational,"['16556440', '17199025', '19443931', '16732716', '20167814', '23214383']",,D05817,,,,,ZINC000011726774,CHEMBL3918017,,SELETRACETAM,188602,9942725,CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O,"InChI=1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1",ANWPENAPCIFDSZ-RQJHMYQMSA-N
DB05886,,NV-18,investigational,,,,,,,,,,,,,,,,
DB05887,,TAFA-93,investigational,,,,,,,,,,,,,,,,
DB05888,,MEM 1414,investigational,,,,,,,,,,,,,,,,
DB05889,635715-01-4,Inotuzumab ozogamicin,"['approved', 'investigational']","['17657218', '26425338', '15623646', '25048520', '27292104']",L01XC26,,1942950,,,,,,,,,,,,
DB05890,1220118-27-3,Veglin,investigational,,,,,,,,,,,,,,,,
DB05892,,RI 624,investigational,,,,,,,,,,,,,,,,
DB05894,,GT 389-255,investigational,,,,,,,,,,,,,,,,
DB05895,,HGS-TR2J,investigational,,,,,,,,,,,,,,,,
DB05896,,Sirna-027,investigational,,,,,,,,,,,,,,,,
DB05897,,rhIGFBP-3,investigational,"['16403822', '15777106']",,,,,,,,,,,,,,,
DB05898,,CERE-110,investigational,,,,,,,,,,,,,,,,
DB05899,,IT-101,investigational,"['16533788', '16133526']",,,,,,,,,,,,,,,
DB05903,350493-61-7,KOS-1584,investigational,"['17656562', '18197722']",,,,,,,ZINC000100657972,CHEMBL4297296,,KOS-1584,,6918835,C[C@H]1\C=C\C\C(C)=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1,"InChI=1S/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8+,16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1",XAYAKDZVINDZGB-BMVMHAJPSA-N
DB05904,,BLX-883,investigational,,,,,,,,,,,,,,,,
DB05905,863248-59-3,TD-2749,investigational,,,,,,,,ZINC000101514829,CHEMBL2059590,50388698,,,,CC(C)N1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)C2=CC=CC=C12,"InChI=1S/C26H38N6O2/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-20-16-21-8-9-22(17-20)31(21)15-12-29-10-13-30(14-11-29)19(3)33/h4-7,18,20-22H,8-17H2,1-3H3,(H,27,34)/t20-,21+,22-",ZQMXTDPQEHZTBG-KOUNCHBCSA-N
DB05906,,CCR5 mAb,investigational,"['16777164', '17392523', '18266604']",,,,,,,,,,,,,,,
DB05911,,RUS 3108,investigational,,,,,,,,,,,,,,,,
DB05912,,REN-850,investigational,,,,,,,,,,,,,,,,
DB05913,728033-96-3,OSI-930,investigational,"['16093434', '16424037']",,,,,,,ZINC000003962535,CHEMBL1614710,50356877,OSI-930,91433,9868037,FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1,"InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)",FGTCROZDHDSNIO-UHFFFAOYSA-N
DB05915,,MYO-029,investigational,"['12459784', '17432227', '18335515']",,,,,,,,,,,,,,,
DB05916,,CT-011,investigational,,,,,,,,,,,,,,,,
DB05918,,LS11,investigational,,,,,,,,,,,,,,,,
DB05919,,DDP-200,investigational,,,,,,,,,,,,,,,,
DB05920,,RTA 744,investigational,,,,,,,,,,,,,,,,
DB05924,,NLX-P101,investigational,,,,,,,,,,,,,,,,
DB05928,405169-16-6,Dovitinib,investigational,"['15598814', '16914579']",,,,,38O,,ZINC000003816310,CHEMBL522892,25118,DOVITINIB LACTATE,,135398510,CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=C(N)C2=C(NC1=O)C=CC=C2F,"InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)",PIQCTGMSNWUMAF-UHFFFAOYSA-N
DB05929,,GPI-0100,investigational,15837210,,,,,,,,,,,,,,,
DB05930,,SB-559448,investigational,,,,,,,,,,,,,,,,
DB05931,906450-24-6,Pegdinetanib,investigational,,,,,,,,,,,,,,,,
DB05932,284019-34-7,Denibulin,investigational,,,,,,,,ZINC000011726215,CHEMBL2111088,,,,11661758,COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=C(NC(=O)[C@H](C)N)C=C1)=C2,"InChI=1S/C18H19N5O3S/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t10-/m0/s1",GAOHLWCIAJNSEE-JTQLQIEISA-N
DB05934,577782-52-6,CTCE-0214,investigational,"['16123381', '17541466', '15003316']",,,,,,,,,,,,,,,
DB05936,752222-83-6,CVT-6883,investigational,"['16841096', '17159162']",,,,,,,ZINC000029055563,CHEMBL260933,50236738,,,11270783,CCCN1C(=O)N(CC)C2=C(NC(=N2)C2=CN(CC3=CC=CC(=C3)C(F)(F)F)N=C2)C1=O,"InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)",KOYXXLLNCXWUNF-UHFFFAOYSA-N
DB05938,519187-23-6,Edonerpic,investigational,"['15798005', '18251012', '18343519']",,,,,,,,CHEMBL4302089,,T-817MA,,9901946,OC1CN(CCCOCCC2=CC3=C(SC=C3)C=C2)C1,"InChI=1S/C16H21NO2S/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2",HQNACSFBDBYLJP-UHFFFAOYSA-N
DB05939,851776-28-8,MK-0354,investigational,16246064,,,,,,,ZINC000038312374,CHEMBL456145,50273099,,,11159621,C1CC2=C(C1)C(=NN2)C1=NNN=N1,"InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)",LTQYSJKGRPGMPO-UHFFFAOYSA-N
DB05941,674782-26-4,Leronlimab,investigational,"['11134270', '31747383', '20377413']",,,,,,,,,,,,,,,
DB05942,1001913-27-4,GI-5005,investigational,17098335,,,,,,,,,,,,,,,
DB05943,243984-11-4,Resatorvid,investigational,16373689,,,,,,,ZINC000013982410,CHEMBL225157,50155929,RESATORVID,,11703255,[H][C@]1(CCCC=C1C(=O)OCC)S(=O)(=O)NC1=C(Cl)C=C(F)C=C1,"InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1",LEEIJTHMHDMWLJ-CQSZACIVSA-N
DB05944,845272-21-1,Varlitinib,investigational,,,,,,,,ZINC000013980035,CHEMBL2103842,50205268,VARLITINIB,,42642648,C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1,"InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1",UWXSAYUXVSFDBQ-CYBMUJFWSA-N
DB05945,915947-57-8,MDX-1303,investigational,16988263,,,,,,,,,,,,,,,
DB05950,229180-41-0,Contulakin-G,investigational,,,,,,,,,,,,,,,,
DB05956,1189088-41-2,EVT-101,investigational,,,,,,,,,CHEMBL3545349,,,,72941990,Cl.Cl.CC1=NC=CN1CC1=CC(=CN=N1)C1=CC=C(F)C(=C1)C(F)F,"InChI=1S/C16H13F3N4.2ClH/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19;;/h2-8,16H,9H2,1H3;2*1H",OJBLXSPBJMGZDN-UHFFFAOYSA-N
DB05959,864668-87-1,ENMD-1198,investigational,,,,,,,,ZINC000043128345,CHEMBL1080759,,,,11483754,COC1=C(C=C2CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]3C2=C1)C(N)=O,"InChI=1S/C20H25NO2/c1-20-8-3-4-17(20)14-6-5-12-10-16(19(21)22)18(23-2)11-15(12)13(14)7-9-20/h3,8,10-11,13-14,17H,4-7,9H2,1-2H3,(H2,21,22)/t13-,14+,17-,20-/m0/s1",YQJWOUQGXATDAE-ACNBBOPNSA-N
DB05961,612547-11-2,PPL-100,investigational,,,,,,A00,,ZINC000003925398,CHEMBL168640,50482335,TMB-607,,513956,COC(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28-,31-/m0/s1",QAHLFXYLXBBCPS-IZEXYCQBSA-N
DB05964,410074-73-6,Amitifadine,investigational,12586204,,,,,,,ZINC000000003189,CHEMBL592374,50386812,DOV-21947,,11658655,[H][C@]12C[C@]1(CNC2)C1=CC(Cl)=C(Cl)C=C1,"InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m1/s1",BSMNRYCSBFHEMQ-KCJUWKMLSA-N
DB05966,229634-97-3,TAS-108,investigational,"['15671561', '15701885']",,,,,,,,,,,,9874874,OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CC1=CC=C(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)CC5=C(C=CC(O)=C5)[C@H]4CC[C@]23C)C(OC)=C1,"InChI=1S/C33H47NO3.C6H8O7/c1-6-34(7-2)21-23-8-13-30(31(19-23)36-5)37-17-15-25-9-12-29-32-22(3)18-24-20-26(35)10-11-27(24)28(32)14-16-33(25,29)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8,10-11,13,19-20,22,25,28-29,32,35H,6-7,9,12,14-18,21H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,25-,28-,29+,32-,33-;/m1./s1",VOHOCSJONOJOSD-SCIDSJFVSA-N
DB05967,,ANZ-100,investigational,,,,,,,,,,,,,,,,
DB05968,851627-62-8,PR-104,investigational,17606726,,,,,,,ZINC000043131754,CHEMBL4297321,,PR 104,,11455973,CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCCOP(O)(O)=O,"InChI=1S/C14H20BrN4O12PS/c1-33(28,29)31-7-5-17(4-2-15)13-11(14(20)16-3-6-30-32(25,26)27)8-10(18(21)22)9-12(13)19(23)24/h8-9H,2-7H2,1H3,(H,16,20)(H2,25,26,27)",GZSOKPMDWVRVMG-UHFFFAOYSA-N
DB05969,345627-80-7,SNS-032,investigational,"['17938863', '17534442']",,,,,56H,,ZINC000003816409,CHEMBL296468,5931,BMS-387032,91399,3025986,CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCNCC3)S2)O1,"InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)",OUSFTKFNBAZUKL-UHFFFAOYSA-N
DB05971,,Archexin,investigational,,,,,,,,,,,,,,,,
DB05973,70023-32-4,Inosine 5'-sulfate,investigational,,,,,,,,,,,,,135494187,O[C@@H]1[C@@H](COS(O)(=O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O,"InChI=1S/C10H12N4O8S/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H,18,19,20)/t4-,6-,7-,10-/m1/s1",IGYLPKLXFDOQGM-KQYNXXCUSA-N
DB05974,27876-94-4,Transcrocetinate,investigational,"['12462570', '15707856']",,,,,,,ZINC000004097701,CHEMBL464792,50269617,TRANSCROCETIN,3918,5281232,C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O,"InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+",PANKHBYNKQNAHN-MQQNZMFNSA-N
DB05983,218600-53-4,Bardoxolone methyl,investigational,,,,,,,,ZINC000003982151,CHEMBL1762621,217379,RTA 402,177406,400769,COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,"InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1",WPTTVJLTNAWYAO-KPOXMGGZSA-N
DB05984,927880-90-8,RAF-265,investigational,,,,,,55J,,ZINC000018710085,CHEMBL558752,31088,RAF-265,91451,11656518,CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=CC(OC3=CC=NC(=C3)C3=NC=C(N3)C(F)(F)F)=CC=C12,"InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)",YABJJWZLRMPFSI-UHFFFAOYSA-N
DB05990,459789-99-2,Obeticholic acid,approved,"['30844895', '17641080', '31061656', '27743502', '27621676', '27406083', '31813639']",A05AA04,D09360,1798288,,CHC,5155,ZINC000014164617,CHEMBL566315,21675,DSP-1747,43602,447715,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1",ZXERDUOLZKYMJM-ZWECCWDJSA-N
DB05992,714272-27-2,Plinabulin,investigational,16317287,,,,,PN6,,ZINC000003819466,CHEMBL1096380,50030765,PLINABULIN,177413,9949641,CC(C)(C)C1=C(\C=C2/NC(=O)\C(NC2=O)=C\C2=CC=CC=C2)N=CN1,"InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-",UNRCMCRRFYFGFX-TYPNBTCFSA-N
DB05993,903580-39-2,PRX-07034,investigational,,,,,,,,,,,,,23653584,Cl.COC1=C(OC)C(=CC(Cl)=C1)C(C)NC1=CC(=CC=C1S(C)(=O)=O)N1CCNCC1,"InChI=1S/C21H28ClN3O4S.ClH/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27;/h5-6,11-14,23-24H,7-10H2,1-4H3;1H",PILCQJJJAFRKHO-UHFFFAOYSA-N
DB05996,1182215-65-1,Glembatumumab vedotin,investigational,,,,,,,,,,,,,,,,
DB06005,9005-49-6,Adomiparin,investigational,,,,,,,,,,,,,,,,
DB06011,913978-37-7,AMG-222,investigational,,,,,,,,,,,,,11977989,[H][C@](C)(CC1(C2=NNN=N2)C2=CC=C(C=C2CCC2=CC(=CC=C12)C(=O)N(C)C)C(=O)N(C)C)NCC(=O)N1CCC[C@@]1([H])C#N,"InChI=1S/C32H39N9O3/c1-20(34-19-28(42)41-14-6-7-25(41)18-33)17-32(31-35-37-38-36-31)26-12-10-23(29(43)39(2)3)15-21(26)8-9-22-16-24(11-13-27(22)32)30(44)40(4)5/h10-13,15-16,20,25,34H,6-9,14,17,19H2,1-5H3,(H,35,36,37,38)/t20-,25-/m0/s1",NVSWJKWHLUTHLP-CPJSRVTESA-N
DB06013,1361644-26-9,Aldoxorubicin,investigational,,,D10383,,,,,ZINC000085540119,CHEMBL2107818,,INNO-206,,9810709,COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(\CO)=N\NC(=O)CCCCCN4C(=O)C=CC4=O)C(O)=C3C(=O)C2=CC=C1,"InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/b39-23+/t17-,20-,22-,27-,32+,37-/m0/s1",OBMJQRLIQQTJLR-USGQOSEYSA-N
DB06014,1173755-55-9,Eteplirsen,"['approved', 'investigational']","['27102846', '25980936', '23907995']",M09AX06,D09900,1810569,,,,,,,,,,,,
DB06016,839712-12-8,Cariprazine,"['approved', 'investigational']","['23320989', '26510944']",N05AX15,D09997,1667655,,7RU,5037,ZINC000100907004,CHEMBL2028019,50382290,RGH-188,90933,,CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1,"InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-",KPWSJANDNDDRMB-QAQDUYKDSA-N
DB06021,451493-31-5,AV-412,investigational,,,,,,,,,,,,,11700696,CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1,"InChI=1S/C27H28ClFN6O.2C7H8O3S/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2*2-5H,1H3,(H,8,9,10)",GTWJVFFZCKODEV-UHFFFAOYSA-N
DB06022,,GlycoPEG-GCSF,investigational,,,,,,,,,,,,,,,,
DB06039,,PA-1050040,investigational,,,,,,,,,,,,,,,,
DB06040,885060-09-3,Filanesib,investigational,18193114,,,,,GCE,,ZINC000043204022,CHEMBL2347655,50431893,FILANESIB,,44224257,CON(C)C(=O)N1N=C(S[C@@]1(CCCN)C1=CC=CC=C1)C1=CC(F)=CC=C1F,"InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1",LLXISKGBWFTGEI-FQEVSTJZSA-N
DB06042,,ZEN-012,investigational,,,,,,,,,,,,,,,,
DB06043,1024603-93-7,Olaratumab,"['approved', 'investigational']","['28205191', '28426120', '24816152', '27291997', '27995580', '17234763']",L01XC27,D09939,1855735,,,,,,,,,,,,
DB06045,853400-76-7,Trofinetide,investigational,,,,,,,,,CHEMBL197084,,TROFINETIDE,,11318905,C[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1",BUSXWGRAOZQTEY-SDBXPKJASA-N
DB06049,1000676-42-5,IPH 2101,investigational,,,,,,,,,,,,,,,,
DB06050,,TB-402,investigational,,,,,,,,,,,,,,,,
DB06058,,XTL-6865,investigational,,,,,,,,,,,,,,,,
DB06061,869357-68-6,AZD-8330,investigational,,,,,,,,ZINC000043152942,CHEMBL3182621,,AZD-8330,91424,16666708,CN1C(=O)C(C)=CC(C(=O)NOCCO)=C1NC1=CC=C(I)C=C1F,"InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)",RWEVIPRMPFNTLO-UHFFFAOYSA-N
DB06063,,CAM-2029,investigational,,,,,,,,,,,,,,,,
DB06064,,KAI-1455,investigational,,,,,,,,,,,,,,,,
DB06069,,XMT-1001,investigational,,,,,,,,,,,,,,,,
DB06070,908115-27-5,SNX-5422,investigational,,,,,,,,,CHEMBL1195136,50514916,SNX 5422,,,CC1(C)CC2=C(C(=NN2C2=CC(N[C@H]3CC[C@@H](CC3)OC(=O)CN)=C(C=C2)C(N)=O)C(F)(F)F)C(=O)C1,"InChI=1S/C25H30F3N5O4/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36)/t13-,15-",AVDSOVJPJZVBTC-CTYIDZIISA-N
DB06071,,DTS-201,investigational,,,,,,,,,,,,,,,,
DB06073,,CTS-21166,investigational,20661410,,,,,,,,,,,,,,,
DB06075,867160-71-2,Linsitinib,investigational,,,,,,,,ZINC000100071817,CHEMBL1091644,50315887,OSI-906,,,C[C@@]1(O)C[C@@H](C1)C1=NC(=C2N1C=CN=C2N)C1=CC=C2C=CC(=NC2=C1)C1=CC=CC=C1,"InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+",PKCDDUHJAFVJJB-VLZXCDOPSA-N
DB06077,313368-91-1,Lumateperone,"['approved', 'investigational']","['30596390', '29559781', '30449883', '24904434', '31790322']",,,2275602,,,5358,ZINC000116262036,CHEMBL3306803,,LUMATEPERONE TOSYLATE,,21302490,[H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C1=CC=CC3=C1N2CCN3C,"InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1",HOIIHACBCFLJET-SFTDATJTSA-N
DB06080,796967-16-3,Linifanib,investigational,"['16648571', '16648572', '18160102']",,,,,,,ZINC000006718813,CHEMBL223360,21079,ABT-869,91435,11485656,CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1,"InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)",MPVGZUGXCQEXTM-UHFFFAOYSA-N
DB06081,915810-67-2,Caplacizumab,"['approved', 'investigational']","['16478695', '30656273', '26863353', '30298461', '28445600']",B01AX07,,2110604,,,,,,,,,,,,
DB06082,685898-44-6,PX-478,investigational,"['16206237', '18202012', '15967100']",,,,,,,,CHEMBL4061538,50231387,,,11234794,Cl.Cl.N[C@@H](CC1=CC=C(C=C1)[N+]([O-])(CCCl)CCCl)C(O)=O,"InChI=1S/C13H18Cl2N2O3.2ClH/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1",GIGCDIVNDFQKRA-LTCKWSDVSA-N
DB06083,79338-84-4,Tapinarof,investigational,"['18236486', '10930742']",,,,,,,ZINC000005761533,CHEMBL259571,,WBI-1001,,6439522,CC(C)C1=C(O)C=C(\C=C\C2=CC=CC=C2)C=C1O,"InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+",ZISJNXNHJRQYJO-CMDGGOBGSA-N
DB06087,239802-15-4,Friulimicin B,investigational,"['11079804', '17220414', '12543643']",,,,,,,,,,,,56842195,CC(C)CCCCCCC\C=C/CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]2CCCCN2C1=O)[C@H](C)C(O)=O)[C@@H](C)N)C(C)C,"InChI=1S/C59H94N14O19/c1-30(2)19-14-12-10-8-9-11-13-15-22-41(75)65-35(25-40(61)74)52(84)71-49-34(7)64-53(85)39-21-18-24-73(39)57(89)46(31(3)4)69-56(88)48(33(6)60)68-43(77)29-63-50(82)36(26-44(78)79)66-42(76)28-62-51(83)37(27-45(80)81)67-55(87)47(32(5)59(91)92)70-54(86)38-20-16-17-23-72(38)58(49)90/h13,15,30-39,46-49H,8-12,14,16-29,60H2,1-7H3,(H2,61,74)(H,62,83)(H,63,82)(H,64,85)(H,65,75)(H,66,76)(H,67,87)(H,68,77)(H,69,88)(H,70,86)(H,71,84)(H,78,79)(H,80,81)(H,91,92)/b15-13-/t32-,33+,34-,35-,36-,37-,38+,39-,46-,47-,48+,49-/m0/s1",HVYFVLAUKMGKHL-USKUEUQVSA-N
DB06089,,ICA-105665,investigational,,,,,,,,,,,,,,,,
DB06090,639489-84-2,Bradanicline,investigational,,,,,,,,ZINC000064540331,CHEMBL1258006,50393247,BRADANICLINE,,25147644,[H][C@@]1(CC2=CC=CN=C2)N2CCC(CC2)[C@@]1([H])NC(=O)C1=CC2=C(O1)C=CC=C2,"InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1",OXKRFEWMSWPKKV-GHTZIAJQSA-N
DB06091,918633-87-1,Evofosfamide,investigational,18257544,,,,,,,ZINC000029053729,CHEMBL260046,50543112,TH-302,,11984561,CN1C(COP(=O)(NCCBr)NCCBr)=CN=C1[N+]([O-])=O,"InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)",UGJWRPJDTDGERK-UHFFFAOYSA-N
DB06093,,ABT-560,investigational,,,,,,,,,,,,,,,,
DB06094,1002331-21-6,Apatorsen,investigational,"['17974989', '17218637', '16879439']",,,,,,,,,,,,,COCCOC1C(O)C(COP(O)(=S)OC2C(COP(O)(=S)OC3C(COP(O)(=S)OC4C(COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5CC(OC5COP(O)(=S)OC5C(COP(O)(=S)OC6C(COP(O)(=S)OC7C(COP(O)(=S)OC8C(CO)OC(C8OCCOC)N8C=NC9=C8NC(=N)N=C9O)OC(C7OCCOC)N7C=NC8=C7NC(=N)N=C8O)OC(C6OCCOC)N6C=NC7=C6NC(=N)N=C7O)OC(C5OCCOC)N5C=NC6=C(N)N=CN=C56)N5C=C(C)C(=N)N=C5O)N5C=NC6=C5NC(=N)N=C6O)N5C=C(C)C(=N)N=C5O)N5C=NC6=C5NC(=N)N=C6O)N5C=NC6=C5NC(=N)N=C6O)N5C=C(C)C(=N)N=C5O)N5C=NC6=C5NC(=N)N=C6O)N5C=C(C)C(=N)N=C5O)N5C=C(C)C(O)=NC5=O)N5C=C(C)C(=N)N=C5O)N5C=NC6=C5NC(=N)N=C6O)N5C=NC6=C5NC(=N)N=C6O)OC(C4OCCOC)N4C=C(C)C(O)=NC4=O)OC(C3OCCOC)N3C=C(C)C(=N)N=C3O)OC(C2OCCOC)N2C=NC3=C(N)N=CN=C23)OC1N1C=C(C)C(O)=NC1=O,"InChI=1S/C224H304N79O116P19S19/c1-88-46-284(216(318)257-168(88)225)129-34-97(401-420(327,439)363-60-114-102(39-134(386-114)289-52-94(7)187(306)281-222(289)324)406-421(328,440)362-56-110-98(35-130(381-110)285-47-89(2)169(226)258-217(285)319)402-422(329,441)368-63-119-107(44-139(390-119)297-81-252-147-182(297)267-211(237)276-194(147)313)411-430(337,449)372-66-121-108(45-140(392-121)298-82-253-148-183(298)268-212(238)277-195(148)314)412-431(338,450)375-69-123-154(163(357-29-21-349-13)201(396-123)292-54-96(9)189(308)283-224(292)326)414-435(342,454)377-70-124-155(162(356-28-20-348-12)200(395-124)290-51-93(6)173(230)262-221(290)323)415-436(343,455)378-72-126-157(165(359-31-23-351-15)203(398-126)300-84-247-142-175(232)243-76-245-177(142)300)417-433(340,452)374-68-122-152(305)160(354-26-18-346-10)199(394-122)291-53-95(8)188(307)282-223(291)325)111(382-129)57-364-426(333,445)407-103-40-135(293-77-248-143-178(293)263-207(233)272-190(143)309)387-116(103)61-367-423(330,442)403-99-36-131(286-48-90(3)170(227)259-218(286)320)384-113(99)59-366-428(335,447)409-105-42-137(295-79-250-145-180(295)265-209(235)274-192(145)311)391-120(105)65-371-429(336,448)410-106-43-138(296-80-251-146-181(296)266-210(236)275-193(146)312)389-118(106)62-369-424(331,443)404-100-37-132(287-49-91(4)171(228)260-219(287)321)383-112(100)58-365-427(334,446)408-104-41-136(294-78-249-144-179(294)264-208(234)273-191(144)310)388-117(104)64-370-425(332,444)405-101-38-133(288-50-92(5)172(229)261-220(288)322)385-115(101)67-373-432(339,451)416-156-125(397-202(164(156)358-30-22-350-14)299-83-246-141-174(231)242-75-244-176(141)299)71-379-437(344,456)419-159-128(400-206(167(159)361-33-25-353-17)303-87-256-151-186(303)271-215(241)280-198(151)317)74-380-438(345,457)418-158-127(399-205(166(158)360-32-24-352-16)302-86-255-150-185(302)270-214(240)279-197(150)316)73-376-434(341,453)413-153-109(55-304)393-204(161(153)355-27-19-347-11)301-85-254-149-184(301)269-213(239)278-196(149)315/h46-54,75-87,97-140,152-167,199-206,304-305H,18-45,55-74H2,1-17H3,(H,327,439)(H,328,440)(H,329,441)(H,330,442)(H,331,443)(H,332,444)(H,333,445)(H,334,446)(H,335,447)(H,336,448)(H,337,449)(H,338,450)(H,339,451)(H,340,452)(H,341,453)(H,342,454)(H,343,455)(H,344,456)(H,345,457)(H2,225,257,318)(H2,226,258,319)(H2,227,259,320)(H2,228,260,321)(H2,229,261,322)(H2,230,262,323)(H2,231,242,244)(H2,232,243,245)(H,281,306,324)(H,282,307,325)(H,283,308,326)(H3,233,263,272,309)(H3,234,264,273,310)(H3,235,265,274,311)(H3,236,266,275,312)(H3,237,267,276,313)(H3,238,268,277,314)(H3,239,269,278,315)(H3,240,270,279,316)(H3,241,271,280,317)",RMTMMKNSPRRFHW-UHFFFAOYSA-N
DB06096,,NXN-188,investigational,,,,,,,,,,,,,,,,
DB06097,,GSK-923295,investigational,,,,,,,,,,,,,,,,
DB06098,,PRLX 93936,investigational,,,,,,,,,,,,,,,,
DB06101,,IMC-1C11,investigational,"['12684400', '15238424', '17851838']",,,,,,,,,,,,,,,
DB06103,,VX-148,investigational,12183689,,,,,,,,,,,,,,,
DB06106,138117-48-3,AIT-034,investigational,,,,,,,,,,,,,135484546,O=C(CCN1C=NC2=C1NC=NC2=O)NCCCN1CCCC1=O,"InChI=1S/C15H20N6O3/c22-11(16-5-2-7-20-6-1-3-12(20)23)4-8-21-10-19-13-14(21)17-9-18-15(13)24/h9-10H,1-8H2,(H,16,22)(H,17,18,24)",FBVDVFULNXWYRF-UHFFFAOYSA-N
DB06109,,YKP-1358,investigational,17259948,,,,,,,,,,,,,,,
DB06111,,AB192,experimental,,,,,,,,,,,,,,,,
DB06112,74698-37-6,"3,4-Methylenedioxy-N-isopropylamphetamine",investigational,11366516,,,,,,,,,,,,3057996,CC(C)NC(C)CC1=CC2=C(OCO2)C=C1,"InChI=1S/C13H19NO2/c1-9(2)14-10(3)6-11-4-5-12-13(7-11)16-8-15-12/h4-5,7,9-10,14H,6,8H2,1-3H3",XKEVWMVUIDDRMC-UHFFFAOYSA-N
DB06116,946414-98-8,Eldelumab,investigational,,,,,,,,,,,,,,,,
DB06117,156316-85-7,"1alpha,24S-Dihydroxyvitamin D2",investigational,,,,1536458,,,,ZINC000004791507,,,,,9547261,CC(C)[C@](C)(O)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C28H44O3/c1-18(2)28(6,31)15-13-19(3)24-11-12-25-21(8-7-14-27(24,25)5)9-10-22-16-23(29)17-26(30)20(22)4/h9-10,13,15,18-19,23-26,29-31H,4,7-8,11-12,14,16-17H2,1-3,5-6H3/b15-13+,21-9+,22-10-/t19-,23-,24-,25+,26+,27-,28-/m1/s1",ODZFJAXAEXQSKL-WRJREGAQSA-N
DB06119,913088-80-9,Cenobamate,"['approved', 'investigational']","['31063770', '31292226']",,,2265690,,,5355,,CHEMBL3989949,,CENOBAMATE,,11962412,NC(=O)O[C@@H](CN1N=CN=N1)C1=C(Cl)C=CC=C1,"InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1",GFHAXPJGXSQLPT-VIFPVBQESA-N
DB06124,1006685-44-4,L-aminocarnityl-succinyl-leucyl-argininal-diethylacetal,investigational,,,,,,,,,,,,,71587904,CCOC(OCC)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C27H53N7O7/c1-8-40-26(41-9-2)20(11-10-14-30-27(28)29)33-25(39)21(15-18(3)4)32-23(36)13-12-22(35)31-19(16-24(37)38)17-34(5,6)7/h18-21,26H,8-17H2,1-7H3,(H7-,28,29,30,31,32,33,35,36,37,38,39)/t19-,20+,21+/m1/s1",JOITUBWXBFATOR-HKBOAZHASA-N
DB06127,862501-61-9,Bisegliptin,investigational,,,,,,,,,CHEMBL4297624,,KRP-104,,11688894,[H][C@@]1(F)CN(C(=O)CNC23CCC(CC2)(CC3)C(=O)OCC)[C@@]([H])(C1)C#N,"InChI=1S/C18H26FN3O3/c1-2-25-16(24)17-3-6-18(7-4-17,8-5-17)21-11-15(23)22-12-13(19)9-14(22)10-20/h13-14,21H,2-9,11-12H2,1H3/t13-,14-,17?,18?/m0/s1",AKFNKZFJBFQFAA-DIOPXHOYSA-N
DB06129,,SVV-001,investigational,"['18006805', '17971529']",,,,,,,,,,,,,,,
DB06130,,FAV-201,investigational,,,,,,,,,,,,,,,,
DB06133,52328-98-0,Dimethylcurcumin,investigational,,,,,,,,ZINC000100007120,CHEMBL128748,,,,6477182,COC1=CC=C(\C=C\C(\O)=C\C(=O)\C=C\C2=CC(OC)=C(OC)C=C2)C=C1OC,"InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-",ZMGUKFHHNQMKJI-CIOHCNBKSA-N
DB06134,1057249-41-8,SNS-314,investigational,,,,,,AK2,,ZINC000040393428,CHEMBL482767,26326,SNS 314,94720,24995524,ClC1=CC=CC(NC(=O)NC2=NC=C(CCNC3=C4SC=CC4=NC=N3)S2)=C1,"InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)",FAYAUAZLLLJJGH-UHFFFAOYSA-N
DB06137,897016-82-9,Tirbanibulin,"['approved', 'investigational']","['24627245', '27737538', '19060248', '28751463', '22784709', '32067498', '33196758', '23314737', '21509526', '31628188']",,,2471078,,DN0,5431,ZINC000043152787,CHEMBL571546,50303801,KX2-391,,23635314,O=C(CC1=CC=C(C=N1)C1=CC=C(OCCN2CCOCC2)C=C1)NCC1=CC=CC=C1,"InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)",HUNGUWOZPQBXGX-UHFFFAOYSA-N
DB06138,142569-99-1,IRL-1620,investigational,,,,,,,,,,,,,,,,
DB06140,701205-60-9,SUVN-502,investigational,,,,,,,,,CHEMBL4117187,50236754,MASUPIRDINE,,10073773,COC1=CC=C2N(C=C(CN3CCN(C)CC3)C2=C1)S(=O)(=O)C1=CC=CC=C1Br,"InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3",GWCYPEHWIZXYFZ-UHFFFAOYSA-N
DB06143,360-97-4,Aminoimidazole carboxamide,investigational,,,,,,5AC,1994,ZINC000003861263,CHEMBL1610,7957,,2030,9679,NC(=O)C1=C(N)N=CN1,"InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)",DVNYTAVYBRSTGK-UHFFFAOYSA-N
DB06144,106516-24-9,Sertindole,"['withdrawn', 'approved', 'investigational']","['16192844', '16034864', '16925508', '16529528', '15989577', '16952163', '17458045']",N05AE03,D00561,41996,PA164784002,,2435,ZINC000000538337,CHEMBL12713,50001786,LU-23-174,9122,60149,FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2,"InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)",GZKLJWGUPQBVJQ-UHFFFAOYSA-N
DB06145,24916-50-5,Spiramycin,approved,,"['J01FA02', 'J01RA04']",,9991,,SPR,2471,ZINC000257373089,CHEMBL453514,,SELECTOMYCIN,,5289394,[H][C@@]1(CC[C@@H]([C@@H](C)O1)N(C)C)O[C@H]1\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@]2([H])O[C@H](C)[C@@H](O[C@@]3([H])C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@H]1C,"InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1",ACTOXUHEUCPTEW-CEUOBAOPSA-N
DB06147,72-14-0,Sulfathiazole,"['vet_approved', 'approved']",,"['D06BA02', 'G01AE10', 'J01EB07']",D01047,10193,PA165958356,YTZ,2527,ZINC000000121458,CHEMBL437,50027796,,9337,5340,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",JNMRHUJNCSQMMB-UHFFFAOYSA-N
DB06148,24219-97-4,Mianserin,"['approved', 'investigational']","['8627567', '9232538', '359311', '8764331', '7002830']",N06AX03,,6929,PA134687937,,1796,,CHEMBL6437,50222218,ORG GB 94,51137,4184,CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21,"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3",UEQUQVLFIPOEMF-UHFFFAOYSA-N
DB06149,61036-62-2,Teicoplanin,"['approved', 'investigational']","['2977108', '2965119', '1444298', '17667792', '7791426', '1416858']",J01XA02,D02142,57021,PA164746244,,,,,512667,,,133065662,,,
DB06150,122-11-2,Sulfadimethoxine,"['vet_approved', 'approved']",,"['J01ED01', 'G01AE10']",D01142,10172,PA165958357,,2501,ZINC000013233295,CHEMBL62193,50238669,,32161,5323,COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",ZZORFUFYDOWNEF-UHFFFAOYSA-N
DB06151,616-91-1,Acetylcysteine,"['approved', 'investigational']","['2029805', '17591999', '23943180', '22361928', '9671543', '10638393', '24576857', '15499198', '17823110', '2069586', '29849877', '25767408']","['S01XA08', 'V03AB23', 'R05CB01']",D00221,197,PA448033,SC2,66,ZINC000003589203,CHEMBL600,50420190,FLUIMUCETIN,28939,12035,CC(=O)N[C@@H](CS)C(O)=O,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1",PWKSKIMOESPYIA-BYPYZUCNSA-N
DB06152,447-41-6,Nylidrin,approved,"['3049092', '1094787', '2883089']","['G02CA02', 'C04AA02']",,7595,,,1976,,CHEMBL114655,50240096,,91656,4567,CC(CCC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1,"InChI=1S/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3",PTGXAUBQBSGPKF-UHFFFAOYSA-N
DB06153,15574-96-6,Pizotifen,approved,"['2045831', '335788', '2582093', '111296', '340139', '1095308', '2427822', '24466319', '23393546']",N02CX01,,8373,,,2220,ZINC000000001968,CHEMBL294951,82088,,50212,27400,CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2,"InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3",FIADGNVRKBPQEU-UHFFFAOYSA-N
DB06154,78-11-5,Pentaerythritol tetranitrate,approved,"['3925741', '23611293', '11527645', '26351025', '3701607']","['C01DA55', 'C01DA05']",D01721,7992,,,2087,ZINC000008101167,CHEMBL466659,,PENTALONG,25879,6518,[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,"InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2",TZRXHJWUDPFEEY-UHFFFAOYSA-N
DB06155,168273-06-1,Rimonabant,"['approved', 'investigational']","['17489873', '17943852', '11296091', '17762525', '16483675', '16503766']",A08AX01,D05731,,PA152407999,AY6,4150,ZINC000001540228,CHEMBL111,21278,RIMONABANT,34967,104850,CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)",JZCPYUJPEARBJL-UHFFFAOYSA-N
DB06156,195875-84-4,Tesofensine,investigational,,,,,,,,ZINC000003953158,CHEMBL3989690,,TESOFENSINE,,11370864,CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C,"InChI=1S/C17H23Cl2NO/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3/t12-,13+,14+,17+/m0/s1",VCVWXKKWDOJNIT-ZOMKSWQUSA-N
DB06157,203737-93-3,Istaroxime,investigational,,,,,,,,ZINC000256309945,CHEMBL2093999,,PST-2744,,71717200,C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C\C(CC[C@]34C)=N\OCCN)[C@@H]1CCC2=O,"InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1",MPYLDWFDPHRTEG-PAAYLBSLSA-N
DB06159,91421-42-0,Rubitecan,investigational,,,D04031,,,,2411,ZINC000003827362,CHEMBL77305,50248354,RFS-2000,90225,472335,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O,"InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1",VHXNKPBCCMUMSW-FQEVSTJZSA-N
DB06160,194804-75-6,Garenoxacin,investigational,,J01MA19,,,,,4053,ZINC000003585048,CHEMBL215303,50481219,,131716,124093,C[C@H]1NCC2=CC(=CC=C12)C1=CC=C2C(=O)C(=CN(C3CC3)C2=C1OC(F)F)C(O)=O,"InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/t11-/m1/s1",NJDRXTDGYFKORP-LLVKDONJSA-N
DB06161,206254-79-7,Opebacan,investigational,,,,,,,,,,,,,,,,
DB06162,357613-86-6,Lumiliximab,investigational,,,,,,,,,,,,,,,,
DB06163,153537-73-6,Plevitrexed,investigational,,,,,,,,ZINC000001654736,CHEMBL126648,50081252,ZD-9331,,135430970,CC1=NC(=O)C2=CC(CN(CC#C)C3=CC=C(C(=O)N[C@@H](CCC4=NN=NN4)C(O)=O)C(F)=C3)=C(C)C=C2N1,"InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1",IEJSCSAMMLUINT-NRFANRHFSA-N
DB06166,1018450-26-4,Fosdevirine,investigational,,,,,,,,,CHEMBL3781845,,,,44224276,CO[P@](=O)(C1=C(NC2=CC=C(Cl)C=C12)C(N)=O)C1=CC(C)=CC(\C=C\C#N)=C1,"InChI=1S/C20H17ClN3O3P/c1-12-8-13(4-3-7-22)10-15(9-12)28(26,27-2)19-16-11-14(21)5-6-17(16)24-18(19)20(23)25/h3-6,8-11,24H,1-2H3,(H2,23,25)/b4-3+/t28-/m0/s1",CGBYTKOSZYQOPV-CCEZBSFNSA-N
DB06168,914613-48-2,Canakinumab,"['approved', 'investigational']","['19169963', '19494217']",L04AC08,D09315,853491,,,,,,,,,,,,
DB06169,204205-90-3,Indibulin,investigational,,,,,,,,ZINC000037866151,CHEMBL49642,50510963,ZIO-301,,2929,ClC1=CC=C(CN2C=C(C(=O)C(=O)NC3=CC=NC=C3)C3=CC=CC=C23)C=C1,"InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)",SOLIIYNRSAWTSQ-UHFFFAOYSA-N
DB06171,1075214-55-9,Paclitaxel trevatide,investigational,,,,,,,,,,,,,,,,
DB06174,128-62-1,Noscapine,"['approved', 'investigational']",19149691,R05DA07,,7533,,,1973,ZINC000019418974,CHEMBL364713,50424716,NOSCAPINE,73237,275196,[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]1([H])N(C)CCC2=CC3=C(OCO3)C(OC)=C12,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1",AKNNEGZIBPJZJG-MSOLQXFVSA-N
DB06176,128517-07-7,Romidepsin,"['approved', 'investigational']","['26473529', '21587264']",L01XX39,D06637,877510,PA166161306,,4119,ZINC000003935130,CHEMBL343448,19151,FK228,61080,5352062,C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C,"InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1",OHRURASPPZQGQM-GCCNXGTGSA-N
DB06177,132682-98-5,Glufosfamide,investigational,9501190,,,,,,,ZINC000003918137,CHEMBL2107143,,GLUFOSFAMIDE,,123628,OC[C@H]1O[C@@H](OP(=O)(NCCCl)NCCCl)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1",PSVUJBVBCOISSP-SPFKKGSWSA-N
DB06178,113857-87-7,Talotrexin,investigational,,,,,,COP,,ZINC000003807186,CHEMBL590985,,TALOTREXIN AMMONIUM,,130731,NC1=NC(N)=C2N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCCNC(=O)C3=CC=CC=C3C(O)=O)C(O)=O)C=NC2=N1,"InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1",NYQPLPNEESYGNO-IBGZPJMESA-N
DB06179,69819-86-9,Darinaparsin,investigational,,,,,,,,,CHEMBL3247378,,DARINAPARSIN,94295,11683005,C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,"InChI=1S/C12H22AsN3O6S/c1-13(2)23-6-8(11(20)15-5-10(18)19)16-9(17)4-3-7(14)12(21)22/h7-8H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1",JGDXFQORBMPJGR-YUMQZZPRSA-N
DB06180,,TG1024,investigational,,,,,,,,,,,,,,,,
DB06181,847484-35-9,IMO-2055,investigational,,,,,,,,,,,,,,,,
DB06182,149682-77-9,Talabostat,investigational,,,,,,,,ZINC000169746694,CHEMBL67279,50050513,TALABOSTAT,,6918572,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,"InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1",FKCMADOPPWWGNZ-YUMQZZPRSA-N
DB06184,,AEG35156,investigational,"['16951243', '18027851']",,,,,,,,,,,,,,,
DB06185,209799-67-7,Forodesine,investigational,17016779,,D06596,,,IMH,5229,ZINC000013492899,CHEMBL218291,50195587,FORODESINE,43362,135409409,OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2=O,"InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1",IWKXDMQDITUYRK-KUBHLMPHSA-N
DB06186,477202-00-9,Ipilimumab,approved,"['23047236', '21294471', '23066344', '25964307']",L01XC11,D04603,1094833,,,,,,,,,,,,
DB06187,380886-95-3,Valtorcitabine,investigational,,,,,,,,ZINC000056898743,CHEMBL2106499,,VALTORCITABINE,,9927346,CC(C)[C@H](N)C(=O)O[C@@H]1C[C@H](O[C@H]1CO)N1C=CC(N)=NC1=O,"InChI=1S/C14H22N4O5/c1-7(2)12(16)13(20)23-8-5-11(22-9(8)6-19)18-4-3-10(15)17-14(18)21/h3-4,7-9,11-12,19H,5-6,16H2,1-2H3,(H2,15,17,21)/t8-,9+,11+,12+/m1/s1",VFCYZPOEGWLYRM-QCZKYFFMSA-N
DB06188,336113-53-2,Ispinesib,investigational,,,,,,G7X,,ZINC000011680799,CHEMBL228814,50431891,CK0238273,94692,6851740,CC(C)[C@@H](N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=NC2=CC(Cl)=CC=C2C(=O)N1CC1=CC=CC=C1,"InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1",QJZRFPJCWMNVAV-HHHXNRCGSA-N
DB06190,252920-94-8,Solabegron,investigational,"['18372395', '17626794']",,,,,,,ZINC000001547346,CHEMBL208427,50002595,SOLABEGRON HYDROCHLORIDE,141346,9887812,[H][C@](O)(CNCCNC1=CC(=CC=C1)C1=CC(=CC=C1)C(O)=O)C1=CC=CC(Cl)=C1,"InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1",LLDXOPKUNJTIRF-QFIPXVFZSA-N
DB06191,167354-41-8,Zosuquidar,investigational,,,,,,ZQU,,ZINC000100029945,CHEMBL444172,50420186,ZOSUQUIDAR,,,[H][C@]12C3=CC=CC=C3[C@H](N3CCN(C[C@@H](O)COC4=CC=CC5=C4C=CC=N5)CC3)C3=CC=CC=C3[C@@]1([H])C2(F)F,"InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1",IHOVFYSQUDPMCN-DBEBIPAYSA-N
DB06192,780758-10-3,Nimotuzumab,investigational,,,,,,,,,,,,,,,,
DB06193,144510-96-3,Pixantrone,"['approved', 'investigational']","['21905966', '17483512', '23192654']",L01DB11,,,,,,ZINC000001535903,CHEMBL167731,,BBR-2778,135945,134019,NCCNC1=CC=C(NCCN)C2=C1C(=O)C1=C(C=NC=C1)C2=O,"InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2",PEZPMAYDXJQYRV-UHFFFAOYSA-N
DB06194,199798-84-0,Elocalcitol,investigational,,,,,,,,ZINC000004802676,,,,,11396600,CCC(O)(CC)\C=C\C[C@H](C)C1=CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@](F)([H])C1=C,"InChI=1S/C29H43FO2/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(31)19-27(30)21(23)4/h8,12-14,17,20,24,26-27,31-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13-/t20-,24+,26-,27-,28+/m0/s1",LRLWXBHFPGSUOX-GJQYOBCGSA-N
DB06195,186692-46-6,Seliciclib,investigational,,,,,,RRC,,ZINC000001649340,CHEMBL14762,7533,SELICICLIB,45307,160355,CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1,"InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1",BTIHMVBBUGXLCJ-OAHLLOKOSA-N
DB06196,130308-48-4,Icatibant,"['approved', 'investigational']","['7833220', '17418383']",B06AC02,D04492,1148138,PA164749185,,4186,,CHEMBL2028850,50406750,ICATIBANT ACETATE,68556,6918173,[H][C@]12C[C@]([H])(N(C(=O)[C@@]3([H])CC4=C(CN3C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)[C@]3([H])C[C@@H](O)CN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C=CC=C4)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1",QURWXBZNHXJZBE-SKXRKSCCSA-N
DB06197,187269-40-5,Bimosiamose,investigational,,,,,,,,ZINC000150339083,CHEMBL1215923,50324667,BIMOSIAMOSE,,9811353,[H][C@]1(CO)O[C@]([H])(OC2=C(C=C(CCCCCCC3=CC(=C(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)C=C3)C3=CC=CC(CC(O)=O)=C3)C=C2)C2=CC=CC(CC(O)=O)=C2)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1",RYWCQJDEHXJHRI-XJMXIVSISA-N
DB06198,25526-93-6,Alovudine,investigational,,,,,,,,ZINC000001725270,CHEMBL105318,50132287,"CL-184,824",177762,33039,CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1",UXCAQJAQSWSNPQ-XLPZGREQSA-N
DB06199,173937-91-2,Atrasentan,investigational,,,,,,,,ZINC000003812144,CHEMBL9194,50051007,ATRASENTAN HYDROCHLORIDE,135810,159594,CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1,"InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1",MOTJMGVDPWRKOC-QPVYNBJUSA-N
DB06200,90961-53-8,Tedisamil,investigational,10707827,C01BD06,,,,,4655,,CHEMBL113461,50088367,,,65825,C(C1CC1)N1CC2CN(CC3CC3)CC(C1)C21CCCC1,"InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2",CTIRHWCPXYGDGF-UHFFFAOYSA-N
DB06201,106308-44-5,Rufinamide,approved,"['17199032', '15991887', '17696794', '21351809']",N03AF03,D05775,69036,PA166131606,,3534,ZINC000000007782,CHEMBL1201754,50515492,E2080,134966,129228,NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1,"InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)",POGQSBRIGCQNEG-UHFFFAOYSA-N
DB06202,180916-16-9,Lasofoxifene,"['approved', 'investigational']","['22853318', '20169039', '20694069', '18367319', '16916275', '24069582', '17456742', '23168292', '19898646']",G03XC03,D04672,,,C3D,4308,ZINC000003918428,CHEMBL328190,20606,LASOFOXIFENE,135938,216416,[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1,"InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1",GXESHMAMLJKROZ-IAPPQJPRSA-N
DB06203,850649-61-5,Alogliptin,approved,"['18405789', '22686547', '18405788']","['A10BH04', 'A10BD13', 'A10BD09']",D06553,1368001,,T22,4340,ZINC000014961096,CHEMBL376359,16285,SYR-322,72323,11450633,CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O,"InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1",ZSBOMTDTBDDKMP-OAHLLOKOSA-N
DB06204,175591-23-8,Tapentadol,approved,"['17656655', '20818833', '23357834']",N02AX06,D06007,787390,PA166179720,,,ZINC000000020783,CHEMBL1201776,50386381,CG5503 IR,135935,9838022,CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1,"InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1",KWTWDQCKEHXFFR-SMDDNHRTSA-N
DB06205,757971-58-7,Hyaluronidase (human recombinant),"['approved', 'investigational']","['31424747', '16350083', '24197934', '26873038', '29942426', '29494047', '21698655', '16876899']",,,1300478,,,,,,,,,,,,
DB06206,343306-71-8,Sugammadex,approved,"['25885973', '17312211', '24098155']",V03AB35,D05940,1726988,,,4233,,,,,90953,6918585,O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](CSCCC(O)=O)[C@@H](O[C@H]4O[C@H](CSCCC(O)=O)[C@@H](O[C@H]5O[C@H](CSCCC(O)=O)[C@@H](O[C@H]6O[C@H](CSCCC(O)=O)[C@@H](O[C@H]7O[C@H](CSCCC(O)=O)[C@@H](O[C@H]8O[C@H](CSCCC(O)=O)[C@@H](O[C@H]9O[C@H](CSCCC(O)=O)[C@@H](O[C@H]1O[C@@H]2CSCCC(O)=O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O,"InChI=1S/C72H112O48S8/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1",WHRODDIHRRDWEW-VTHZAVIASA-N
DB06207,160970-54-7,Silodosin,approved,"['27747994', '21116335', '18042003', '17225563', '24198606', '25575983']",G04CA04,D01965,720825,PA165291889,,4151,ZINC000003806063,CHEMBL24778,50160154,URIEF,135929,5312125,C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F,"InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1",PNCPYILNMDWPEY-QGZVFWFLSA-N
DB06209,150322-43-3,Prasugrel,approved,"['22783896', '18485086', '23083110', '20874669']",B01AC22,D05597,613391,PA154410481,,4113,,CHEMBL1201772,,LY-640315,87723,6918456,CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1,"InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3",DTGLZDAWLRGWQN-UHFFFAOYSA-N
DB06210,496775-61-2,Eltrombopag,approved,"['15781124', '23821332', '18366111', '18433923', '23492914', '21646437']",B02BX05,D03978,711942,,,4399,ZINC000011679756,CHEMBL461101,,ELTROMBOPAG,85010,,CC1=NN(C(=O)\C1=N/NC1=CC=CC(C2=CC=CC(=C2)C(O)=O)=C1O)C1=CC=C(C)C(C)=C1,"InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22-",XDXWLKQMMKQXPV-QYQHSDTDSA-N
DB06211,148016-81-3,Doripenem,"['approved', 'investigational']","['21098373', '19485791', '19243706', '15273134']",J01DH04,D03895,119771,,O6P,4149,ZINC000003922770,CHEMBL491571,50088382,S-4661,135928,6918242,[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,"InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1",AVAACINZEOAHHE-VFZPANTDSA-N
DB06212,150683-30-0,Tolvaptan,approved,"['21401442', '22130104', '16181825', '20637957']",C03XA01,D01213,358257,,,4110,ZINC000000538658,CHEMBL4303142,,,,443894,CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)N1CCC[C@@H](O)C2=C1C=CC(Cl)=C2,"InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m1/s1",GYHCTFXIZSNGJT-XMMPIXPASA-N
DB06213,313348-27-5,Regadenoson,"['approved', 'investigational']","['17679059', '22130964', '18477777']",C01EB21,D05711,1546015,PA166129536,,2362,ZINC000013818943,CHEMBL317052,50119132,REGADENOSON,135613,219024,CNC(=O)C1=CN(N=C1)C1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N)=N1,"InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1",LZPZPHGJDAGEJZ-AKAIJSEGSA-N
DB06215,722492-56-0,Ferumoxytol,"['approved', 'investigational']","['17415196', '16088081', '22994536', '20030475']",,D04177,473387,,,,,,,,,6432052,[O--].[O--].[O--].[O--].[Fe++].[Fe+3].[Fe+3],InChI=1S/3Fe.4O/q+2;2*+3;4*-2,WTFXARWRTYJXII-UHFFFAOYSA-N
DB06216,65576-45-6,Asenapine,approved,"['18308814', '18418367', '23356509', '17940749']",N05AH05,D02995,784649,,,4115,,CHEMBL3187365,84994,ASENAPINE,71255,9903970,CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1,"InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3",VSWBSWWIRNCQIJ-UHFFFAOYSA-N
DB06217,794466-70-9,Vernakalant,"['approved', 'investigational']","['16545351', '18334607', '23637539', '24108230', '24821654', '17666913', '18447605']",C01BG11,D06665,,,,4365,ZINC000022010910,CHEMBL2111112,,RSD1235,135956,9930049,COC1=C(OC)C=C(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)C=C1,"InChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1",VBHQKCBVWWUUKN-KZNAEPCWSA-N
DB06218,175481-36-4,Lacosamide,approved,"['23498565', '18378801']",N03AX18,D07299,623400,PA166160048,,4310,ZINC000000007673,CHEMBL58323,50300204,SPM-927,135939,219078,COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1,"InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1",VPPJLAIAVCUEMN-GFCCVEGCSA-N
DB06219,171500-79-1,Dalbavancin,"['approved', 'investigational']","['25578881', '18359966', '18728718']",J01XA04,D03640,1539239,,,777,,,,,,,,,
DB06224,185229-68-9,Alicaforsen,investigational,"['15475766', '15977426', '16669957']",,,,,,,,,,,,,,,
DB06225,,HMR4011,investigational,,,,,,,,,,,,,,,,
DB06226,160212-35-1,Nelipepimut-S,investigational,"['18245541', '16783576']",,,,,,,,,,,,,,,
DB06228,366789-02-8,Rivaroxaban,approved,"['19846028', '18491993', '23645472', '18473863', '21554163', '19696978']",B01AF01,D07086,1114195,,RIV,4182,ZINC000003964126,CHEMBL198362,7840,JNJ39039039,68579,9875401,ClC1=CC=C(S1)C(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O,"InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1",KGFYHTZWPPHNLQ-AWEZNQCLSA-N
DB06229,129029-23-8,Ocaperidone,investigational,"['1370539', '1372084', '1370538']",,,,,,,,CHEMBL2104619,84734,,188525,71351,CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12,"InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3",ZZQNEJILGNNOEP-UHFFFAOYSA-N
DB06230,55096-26-9,Nalmefene,"['withdrawn', 'approved', 'investigational']","['8109774', '15956985', '25187751']",N07BB05,D05111,31479,,,1876,ZINC000000403529,CHEMBL982,50045776,NALMEFENE HYDROCHLORIDE,7457,5284594,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=C,"InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1",WJBLNOPPDWQMCH-MBPVOVBZSA-N
DB06231,133804-44-1,Caldaret,investigational,"['18082500', '17299242']",,,,,,,ZINC000001551732,CHEMBL2106572,,,,6433076,CC1=CC=C(N2CCNCC2)C(=C1)S(O)(=O)=O,"InChI=1S/C11H16N2O3S/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3,(H,14,15,16)",DCDFLGVJWQIRGH-UHFFFAOYSA-N
DB06233,572924-54-0,Ridaforolimus,investigational,"['18451242', '18202410']",L01XE19,,,,,4778,ZINC000169677038,CHEMBL2103839,,RIDAFOROLIMUS,79700,11520894,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O,"InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",BUROJSBIWGDYCN-GAUTUEMISA-N
DB06234,176161-24-3,Maribavir,"['approved', 'investigational']","['34462268', '31981100', '12121907', '18316526']",J05AX10,,2586068,,,,ZINC000003824412,CHEMBL515408,,MARIBAVIR,,471161,CC(C)NC1=NC2=CC(Cl)=C(Cl)C=C2N1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,"InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1",KJFBVJALEQWJBS-XUXIUFHCSA-N
DB06235,117570-53-3,Vadimezan,investigational,"['18095916', '15800918']",,,,,1YE,,ZINC000003777432,CHEMBL71263,50511078,AS-1404,75934,123964,CC1=C(C)C2=C(C=C1)C(=O)C1=CC=CC(CC(O)=O)=C1O2,"InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)",XGOYIMQSIKSOBS-UHFFFAOYSA-N
DB06236,181785-84-2,Elvucitabine,investigational,,,,,,,,ZINC000000007048,CHEMBL38700,50421604,ACH-126443,,469717,NC1=NC(=O)N(C=C1F)[C@H]1O[C@@H](CO)C=C1,"InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m1/s1",HSBKFSPNDWWPSL-VDTYLAMSSA-N
DB06237,330784-47-9,Avanafil,approved,"['23372609', '18491987', '23675780']",G04BE10,D03217,1291301,,E6L,4305,ZINC000011677857,CHEMBL1963681,50036629,AVANAFIL,66876,9869929,COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N2CCC[C@H]2CO)C(=O)NCC2=NC=CC=N2)C=C1,"InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1",WEAJZXNPAWBCOA-INIZCTEOSA-N
DB06239,1052105-48-2,Tipapkinogene sovacivec,investigational,,,,,,,,,,,,,,,,
DB06240,206873-63-4,Tariquidar,investigational,"['10510451', '18083034']",,,,,R1H,,ZINC000004214704,CHEMBL348475,50075373,XR-9576,177609,148201,COC1=CC2=C(CN(CCC3=CC=C(NC(=O)C4=CC(OC)=C(OC)C=C4NC(=O)C4=CN=C5C=CC=CC5=C4)C=C3)CC2)C=C1OC,"InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)",LGGHDPFKSSRQNS-UHFFFAOYSA-N
DB06241,,Clenoliximab,investigational,10511060,,,,,,,,,,,,,,,
DB06243,70052-12-9,Eflornithine,"['withdrawn', 'approved']","['18388383', '18321960', '18086592', '17921631']","['P01CX03', 'D11AX16']",D07883,569,,,990,,CHEMBL830,50028197,EFLORNITHINE,41948,3009,NCCCC(N)(C(F)F)C(O)=O,"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)",VLCYCQAOQCDTCN-UHFFFAOYSA-N
DB06244,131094-16-1,Trafermin,investigational,"['12403958', '17591067']",,,,,,,,,,,,,,,
DB06245,171870-23-8,Lanoteplase,investigational,"['18034528', '18034526', '10695501']",,,,,,,,,,,,,,,
DB06246,59973-80-7,Exisulind,investigational,"['11358813', '15230629', '10910034']",,,,,SLO,3219,ZINC000012341529,CHEMBL488025,,APTOSYN,64212,5472495,CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",MVGSNCBCUWPVDA-MFOYZWKCSA-N
DB06247,154235-83-3,CX516,investigational,"['17504104', '17069542', '11959085']",,,,,CX5,,ZINC000000006489,CHEMBL136800,50094009,CX-516,34605,148184,O=C(N1CCCCC1)C1=CC2=C(C=C1)N=CC=N2,"InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2",ANDGGVOPIJEHOF-UHFFFAOYSA-N
DB06248,346735-24-8,Amelubant,investigational,17170051,,,,,,,ZINC000004392964,CHEMBL1742420,,AMELUBANT,,60096302,CCOC(=O)NC(=N)C1=CC=C(OCC2=CC=CC(COC3=CC=C(C=C3)C(C)(C)C3=CC=C(O)C=C3)=C2)C=C1,"InChI=1S/C33H34N2O5/c1-4-38-32(37)35-31(34)25-8-16-29(17-9-25)39-21-23-6-5-7-24(20-23)22-40-30-18-12-27(13-19-30)33(2,3)26-10-14-28(36)15-11-26/h5-20,36H,4,21-22H2,1-3H3,(H2,34,35,37)",SBVYURPQULDJTI-UHFFFAOYSA-N
DB06249,182133-25-1,Arzoxifene,"['approved', 'investigational']",11731420,,,,,,,ZINC000001544683,CHEMBL226267,19442,SERM-3,,179337,COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2,"InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3",MCGDSOGUHLTADD-UHFFFAOYSA-N
DB06250,112859-71-9,Fluasterone,investigational,,,,,,,,ZINC000003778181,CHEMBL4441355,50507597,,,133967,C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34C)[C@@H]1C[C@@H](F)C2=O,"InChI=1S/C19H27FO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h6,13-16H,3-5,7-11H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1",VHZXNQKVFDBFIK-NBBHSKLNSA-N
DB06251,188913-58-8,Dersalazine,investigational,,,,,,,,ZINC000003935787,,,,,,CC1=NC2=CN=CC=C2N1CC1CCN(CC1)C(=O)\C=C(\C1=CC=CC=C1)C1=CC=C(C=C1)\N=N\C1=CC(C(O)=O)=C(O)C=C1,"InChI=1S/C35H32N6O4/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45)/b29-20-,39-38+",AYEAMZDTWLXZIJ-RKOUKRECSA-N
DB06253,137314-40-0,Thioctic acid tromethamine,investigational,,,,,,,,,,,,,9840368,NC(CO)(CO)CO.OC(=O)CCCC[C@@H]1CCSS1,"InChI=1S/C8H14O2S2.C4H11NO3/c9-8(10)4-2-1-3-7-5-6-11-12-7;5-4(1-6,2-7)3-8/h7H,1-6H2,(H,9,10);6-8H,1-3,5H2/t7-;/m1./s1",CCTREOMTIFSZAU-OGFXRTJISA-N
DB06255,124351-85-5,Incadronic acid,experimental,"['12742232', '9208339', '9145236', '16236616', '9179988', '1800007', '17233845', '18214569', '23044853']",,,,,,1431,ZINC000001551175,CHEMBL53950,,,135189,3699,OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O,"InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)",LWRDQHOZTAOILO-UHFFFAOYSA-N
DB06256,,rPSGL-Ig,investigational,20573162,,,,,,,,,,,,,,,
DB06257,2697-85-0,HE-2200,investigational,,,,,,,,ZINC000033967857,,,,,9818024,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-17,20-22H,3-9H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1",OEVZKEVBDIDVOI-YSZCXEEOSA-N
DB06258,130493-03-7,Bimoclomol,investigational,12893279,,,,,,,,CHEMBL2104595,,,,9576891,OC(CO\N=C(/Cl)C1=CN=CC=C1)CN1CCCCC1,"InChI=1S/C14H20ClN3O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2/b17-14-",NMOVJBAGBXIKCG-VKAVYKQESA-N
DB06260,40077-57-4,Aviptadil,experimental,11566015,,,,,,,,CHEMBL2106041,,,,70691420,CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CN=CN1)C(C)C)[C@@H](C)O)[C@H](O)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O,"InChI=1S/C145H232N40O43S/c1-19-74(13)114(141(224)175-94(55-71(7)8)130(213)178-102(144(227)228)62-109(153)195)183-138(221)104(67-187)180-133(216)99(61-108(152)194)172-129(212)93(54-70(5)6)169-131(214)95(57-80-37-41-83(189)42-38-80)170-124(207)87(34-25-28-49-147)163-123(206)88(35-26-29-50-148)166-139(222)112(72(9)10)181-118(201)76(15)159-121(204)91(47-52-229-18)165-126(209)90(45-46-106(150)192)164-122(205)86(33-24-27-48-146)162-117(200)75(14)160-127(210)92(53-69(3)4)168-125(208)89(36-30-51-157-145(154)155)167-143(226)116(105(191)20-2)185-136(219)96(58-81-39-43-84(190)44-40-81)171-132(215)98(60-107(151)193)173-134(217)101(64-111(198)199)177-142(225)115(78(17)188)184-135(218)97(56-79-31-22-21-23-32-79)176-140(223)113(73(11)12)182-119(202)77(16)161-128(211)100(63-110(196)197)174-137(220)103(66-186)179-120(203)85(149)59-82-65-156-68-158-82/h21-23,31-32,37-44,65,68-78,85-105,112-116,186-191H,19-20,24-30,33-36,45-64,66-67,146-149H2,1-18H3,(H2,150,192)(H2,151,193)(H2,152,194)(H2,153,195)(H,156,158)(H,159,204)(H,160,210)(H,161,211)(H,162,200)(H,163,206)(H,164,205)(H,165,209)(H,166,222)(H,167,226)(H,168,208)(H,169,214)(H,170,207)(H,171,215)(H,172,212)(H,173,217)(H,174,220)(H,175,224)(H,176,223)(H,177,225)(H,178,213)(H,179,203)(H,180,216)(H,181,201)(H,182,202)(H,183,221)(H,184,218)(H,185,219)(H,196,197)(H,198,199)(H,227,228)(H4,154,155,157)/t74-,75-,76-,77-,78+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,112-,113-,114-,115-,116-/m0/s1",OIDGWOIMPADMGM-GXSWRUKYSA-N
DB06261,140898-97-1,Hexaminolevulinate,approved,"['21068759', '18177838', '24248555']",V04CX06,D04436,1426872,,,167,ZINC000001554392,CHEMBL1201784,,HEXVIX,134892,6433083,[H]N([H])CC(=O)CCC(=O)OCCCCCC,"InChI=1S/C11H21NO3/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12/h2-9,12H2,1H3",RYQOILLJDKPETL-UHFFFAOYSA-N
DB06262,23651-95-8,Droxidopa,"['approved', 'investigational']","['18368303', '15666063', '18368304', '17214596', '18051291']",C01CA27,D01277,1489913,PA164748386,,971,ZINC000001482049,CHEMBL2103827,50103611,L-DOPS,31524,6989215,N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1",QXWYKJLNLSIPIN-JGVFFNPUSA-N
DB06263,110267-81-7,Amrubicin,investigational,"['18463964', '12074691', '18054347', '17628745', '9914793', '24982363', '17410034', '16418065', '2611038']",L01DB10,,,,,202,ZINC000003780800,CHEMBL1186894,,SM-5887,135779,3035016,[H][C@@]1(C[C@@](N)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O)O[C@H]1C[C@H](O)[C@H](O)CO1,"InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1",VJZITPJGSQKZMX-XDPRQOKASA-N
DB06264,728-88-1,Tolperisone,investigational,,"['M02AX06', 'M03BX04']",D08617,10639,,,2703,,CHEMBL1076211,442744,TOLPERISONE,93835,5511,CC(CN1CCCCC1)C(=O)C1=CC=C(C)C=C1,"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3",FSKFPVLPFLJRQB-UHFFFAOYSA-N
DB06266,50264-69-2,Lonidamine,investigational,"['16986057', '2098504']",L01XX07,D07257,,,,1598,ZINC000000001632,CHEMBL1257030,59775,DORIDAMINA,50138,39562,OC(=O)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C2=C1C=CC=C2,"InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)",WDRYRZXSPDWGEB-UHFFFAOYSA-N
DB06267,268203-93-6,Udenafil,"['approved', 'investigational']","['18308836', '17958337']",G04BE11,D10027,,PA164776753,,4141,,CHEMBL2103849,,DA-8159,135926,135413547,CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C,"InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)",IYFNEFQTYQPVOC-UHFFFAOYSA-N
DB06268,184036-34-8,Sitaxentan,"['withdrawn', 'approved', 'investigational']",,C02KX03,D07171,,PA165958361,,,ZINC000001481831,CHEMBL282724,50058126,SITAXENTAN SODIUM,135736,216235,CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl,"InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3",PHWXUGHIIBDVKD-UHFFFAOYSA-N
DB06270,,MAHDL01,investigational,,,,,,,,,,,,,,,,
DB06271,57821-29-1,Sulodexide,"['approved', 'investigational']","['9436179', '22282689', '24936531', '12818259']",B01AB11,D08547,,PA164746343,,,,,,,,,,,
DB06272,103909-75-7,Maxacalcitol,investigational,,,,,,MCZ,1638,,,,,,12019456,[H]\C(\C(\[H])=C1/CCC[C@@]2(C)[C@@]1([H])CC[C@]2([H])[C@]([H])(C)OCCC(C)(C)O)=C1/C[C@@]([H])(O)C[C@]([H])(O)C1=C,"InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1",DTXXSJZBSTYZKE-ZDQKKZTESA-N
DB06273,375823-41-9,Tocilizumab,approved,"['25190079', '20608753', '32278585', '27599663', '12669473']",L04AC07,D02596,612865,PA165292659,,,,,,,,,,,
DB06274,156053-89-3,Alvimopan,"['approved', 'investigational']","['23066346', '19086236']",A06AH02,D02878,480639,PA164754864,,143,ZINC000003802417,CHEMBL270190,50088381,ALVIMOPAN,135686,5488548,C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1,"InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1",UPNUIXSCZBYVBB-JVFUWBCBSA-N
DB06276,179545-77-8,Tanomastat,investigational,,,,,,,,ZINC000000538656,CHEMBL261932,50084661,,188765,6918336,OC(=O)[C@@H](CSC1=CC=CC=C1)CC(=O)C1=CC=C(C=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)/t19-/m1/s1",JXAGDPXECXQWBC-LJQANCHMSA-N
DB06280,289656-45-7,Senicapoc,investigational,,,,,,,,ZINC000003816408,CHEMBL405821,50371391,ICA-17043,,216327,NC(=O)C(C1=CC=CC=C1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1,"InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)",SCTZUZTYRMOMKT-UHFFFAOYSA-N
DB06281,262352-17-0,Torcetrapib,investigational,18221079,,,,,0RP,,ZINC000008214714,CHEMBL479527,50312718,CP-529414,49203,159325,CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C2=C1C=CC(=C2)C(F)(F)F,"InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1",CMSGWTNRGKRWGS-NQIIRXRSSA-N
DB06282,130018-77-8,Levocetirizine,approved,"['7614779', '11758635', '21918368']",R06AE09,D07402,356887,,LCR,1566,ZINC000019364230,CHEMBL1201191,85030,CETIRIZINE (R)-FORM DIHYDROCHLORIDE,94559,1549000,OC(=O)COCCN1CCN(CC1)[C@H](C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1",ZKLPARSLTMPFCP-OAQYLSRUSA-N
DB06283,107452-89-1,Ziconotide,approved,"['26344359', '30137539', '17963128', '28320042', '8814901', '4071055', '11932068', '1697665', '15578997', '19300539', '23999971', '2441741', '24698266', '8102803', '27756538', '21150297', '24382884']",N02BG08,D06363,68503,,,2878,,CHEMBL4594214,,SNX-111,,102505334,[H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2,"InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1",BPKIMPVREBSLAJ-QTBYCLKRSA-N
DB06285,52232-67-4,Teriparatide,"['approved', 'investigational']","['18319498', '16872263']",H05AA02,D06078,32915,PA451620,,4514,,,,,,,,,
DB06287,162635-04-3,Temsirolimus,approved,17913896,L01XE09,D06068,657797,PA164746890,,4161,,CHEMBL1201182,50343413,CCI-779,79699,6918289,OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC,"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1",CBPNZQVSJQDFBE-FUXHJELOSA-N
DB06288,71675-85-9,Amisulpride,"['approved', 'investigational']","['12404702', '21176108', '11823257', '11735643', '14575800', '30725818', '19337725', '14642970', '24904434']",N05AL05,D07310,46303,PA162565877,,179,,CHEMBL243712,81790,SOLIAN,64045,2159,CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC,"InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)",NTJOBXMMWNYJFB-UHFFFAOYSA-N
DB06290,923604-59-5,Simeprevir,approved,"['25206310', '18678486', '25585348', '20166108', '26694454', '24920913']","['J05AP05', 'G01AE10']",D10081,1482790,,30B,4812,ZINC000085540268,CHEMBL501849,50336504,SIMEPREVIR,134743,24873435,[H][C@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)OC1=CC(=NC2=C1C=CC(OC)=C2C)C1=NC(=CS1)C(C)C)C(=O)NS(=O)(=O)C1CC1,"InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1",JTZZSQYMACOLNN-VDWJNHBNSA-N
DB06292,461432-26-8,Dapagliflozin,approved,"['24105299', '19996149']","['A10BD15', 'A10BD21', 'A10BD25', 'A10BK01']",D08897,1488564,,,4304,ZINC000003819138,CHEMBL429910,20880,DAPAGLIFLOZIN,85078,9887712,CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1,"InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1",JVHXJTBJCFBINQ-ADAARDCZSA-N
DB06293,959716-28-0,Pegnivacogin,investigational,,,,,,,,,,,,,86278323,COCCOC(=O)NCCCCC(NC(=O)OCCOC)C(=O)NCCCCCCOP(O)(O)=O,"InChI=1S/C20H40N3O11P/c1-30-13-15-32-19(25)22-11-7-5-9-17(23-20(26)33-16-14-31-2)18(24)21-10-6-3-4-8-12-34-35(27,28)29/h17H,3-16H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H2,27,28,29)",QGVYYLZOAMMKAH-UHFFFAOYSA-N
DB06294,,Semuloparin,investigational,,,,2368733,,,,,,,,,,,,
DB06295,219923-85-0,Pramiconazole,investigational,,,,,,,,ZINC000003920372,CHEMBL175633,,,188777,3013050,CC(C)N1CCN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2OC[C@@](CN3C=NC=N3)(O2)C2=CC=C(F)C=C2F)C=C1,"InChI=1S/C35H39F2N7O4/c1-25(2)43-17-18-44(34(43)45)29-6-4-27(5-7-29)40-13-15-41(16-14-40)28-8-10-30(11-9-28)46-20-33-47-22-35(48-33,21-42-24-38-23-39-42)31-12-3-26(36)19-32(31)37/h3-12,19,23-25,33H,13-18,20-22H2,1-2H3/t33-,35+/m0/s1",AEKNYBWUEYNWMJ-QWOOXDRHSA-N
DB06297,948840-25-3,LX-2931,investigational,,,,,,,,,CHEMBL1852164,50018270,LX-3305,,135564845,C\C(=N/O)C1=NC=C(N1)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,13-17H,3H2,1H3,(H,10,11)/b12-4+/t6-,7-,8-/m1/s1",AMXVYJYMZLDINS-RSWLNLDNSA-N
DB06299,851518-71-3,Hydronidone,investigational,,,,,,,,ZINC000021981322,CHEMBL4297288,,HYDRONIDONE,,11217901,CC1=CN(C(=O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C12H11NO2/c1-9-2-7-12(15)13(8-9)10-3-5-11(14)6-4-10/h2-8,14H,1H3",NETTXQJYJRFTFS-UHFFFAOYSA-N
DB06302,936694-12-1,Glesatinib,investigational,,,,,,,,ZINC000113139653,CHEMBL3989914,,MGCD-265,,25181472,COCCNCC1=CC=C(N=C1)C1=CC2=NC=CC(OC3=CC=C(NC(=S)NC(=O)CC4=CC=C(F)C=C4)C=C3F)=C2S1,"InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)",YRCHYHRCBXNYNU-UHFFFAOYSA-N
DB06303,1638332-55-4,Otilimab,investigational,,,,,,,,,,,,,,,,
DB06304,,BIIB015,investigational,,,,,,,,,,,,,,,,
DB06305,1031360-18-5,Sonepcizumab,investigational,27727447,,,,,,,,,,,,,,,
DB06306,912999-49-6,Onalespib,investigational,,,,,,XJX,,ZINC000043208226,CHEMBL1214827,50005782,ATI13387A,140592,11955716,CC(C)C1=CC(C(=O)N2CC3=CC=C(CN4CCN(C)CC4)C=C3C2)=C(O)C=C1O,"InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3",IFRGXKKQHBVPCQ-UHFFFAOYSA-N
DB06307,183387-50-0,Apoptone,investigational,,,,,,,,ZINC000005921098,,,,,42611099,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C,"InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1",CKAXZOYFIHQCBN-JRRMKBMNSA-N
DB06309,923032-37-5,Refametinib,investigational,,,,,,VRA,,ZINC000039187987,CHEMBL1236682,,RDEA 119,,44182295,[H][C@@](O)(CO)CC1(CC1)S(=O)(=O)NC1=C(OC)C=C(F)C(F)=C1NC1=C(F)C=C(I)C=C1,"InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1",RDSACQWTXKSHJT-NSHDSACASA-N
DB06310,677010-34-3,Motavizumab,investigational,17362988,J06BB17,,,,,,,,,,,,,,
DB06311,356057-34-6,Darapladib,investigational,18436114,,,,PA165884699,,,ZINC000003842798,CHEMBL204021,50125265,DARAPLADIB,,9939609,CCN(CC)CCN(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C2=C(CCC2)C(=O)N=C1SCC1=CC=C(F)C=C1,"InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3",WDPFJWLDPVQCAJ-UHFFFAOYSA-N
DB06313,945772-45-2,BNC105,investigational,,,,,,,,ZINC000043171709,CHEMBL1852492,,,,16678087,COC1=CC(=CC(OC)=C1OC)C(=O)C1=C(C)OC2=C1C=CC(OC)=C2OP(O)(O)=O,"InChI=1S/C20H21O10P/c1-10-16(17(21)11-8-14(26-3)19(28-5)15(9-11)27-4)12-6-7-13(25-2)20(18(12)29-10)30-31(22,23)24/h6-9H,1-5H3,(H2,22,23,24)",MYDHDVLPMRNDAZ-UHFFFAOYSA-N
DB06314,1022150-57-7,SGX-523,investigational,,,,,,SX8,,ZINC000039129916,CHEMBL1236107,60589,SGX-523,90624,24779724,CN1C=C(C=N1)C1=NN2C(SC3=CC=C4N=CC=CC4=C3)=NN=C2C=C1,"InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3",BCZUAADEACICHN-UHFFFAOYSA-N
DB06317,915296-00-3,Elotuzumab,approved,"['26809244', '18451245', '17906076']",L01XC23,D09337,1726104,,,,,,,,,,,,
DB06318,,AVE9633,investigational,,,,,,,,,,,,,,,,
DB06321,916742-11-5,R-348,investigational,18360272,,,,,,,ZINC000115724111,,,,,23648971,CCC(=O)NS(=O)(=O)C1=CC(NC2=NC=C(F)C(NC3=CC=C(OCC#C)C=C3)=N2)=CC=C1C,"InChI=1S/C23H22FN5O4S/c1-4-12-33-18-10-8-16(9-11-18)26-22-19(24)14-25-23(28-22)27-17-7-6-15(3)20(13-17)34(31,32)29-21(30)5-2/h1,6-11,13-14H,5,12H2,2-3H3,(H,29,30)(H2,25,26,27,28)",IGLNXKVGKIFNBQ-UHFFFAOYSA-N
DB06322,1268714-50-6,Carotuximab,investigational,,,,,,,,,,,,,,,,
DB06323,1217194-46-1,AZX-100,investigational,,,,,,,,,,,,,,,,
DB06324,,XmAb 2513,investigational,,,,,,,,,,,,,,,,
DB06325,1618657-13-8,Pegpleranib,investigational,1606616,,,,,,,,,,,,,,,
DB06326,1360452-96-5,Latiglutenase,investigational,,,,,,,,,,,,,,,,
DB06328,67-62-9,Methoxyamine,investigational,"['17332299', '16648559', '15242251']",,,,,,,,CHEMBL1213633,,METHOXYAMINE HYDROCHLORIDE,192842,4113,CON,"InChI=1S/CH5NO/c1-3-2/h2H2,1H3",GMPKIPWJBDOURN-UHFFFAOYSA-N
DB06329,892498-64-5,RG-7795,investigational,,,,,,,,,,,,,11587892,CC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1N1C(=O)SC2=CN=C(N)N=C12,"InChI=1S/C12H14N4O5S/c1-5(18)20-7-2-6(4-17)21-10(7)16-9-8(22-12(16)19)3-14-11(13)15-9/h3,6-7,10,17H,2,4H2,1H3,(H2,13,14,15)/t6-,7+,10+/m0/s1",HOOMGTNENMZAFP-NYNCVSEMSA-N
DB06331,176046-79-0,4-O-Demethylpenclomedine,investigational,"['14578677', '11488524']",,,,,,,,CHEMBL11122,,,,388136,[H]N1C(OC)=C(Cl)C(=O)C(Cl)=C1C(Cl)(Cl)Cl,"InChI=1S/C7H4Cl5NO2/c1-15-6-3(9)4(14)2(8)5(13-6)7(10,11)12/h1H3,(H,13,14)",GUYGGZGIKZIRFO-UHFFFAOYSA-N
DB06333,186139-09-3,Trodusquemine,investigational,"['29302341', '12086938']",,,,,,,ZINC000049833385,CHEMBL508583,50333649,TRODUSQUEMINE,177502,9917968,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C,"InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1",WUJVPODXELZABP-FWJXURDUSA-N
DB06334,1616493-44-7,Tucidinostat,investigational,,,,,,,,,CHEMBL3621988,50457079,CS055,135918,12136798,NC1=CC(F)=CC=C1NC(=O)C1=CC=C(CNC(=O)\C=C\C2=CN=CC=C2)C=C1,"InChI=1S/C22H19FN4O2/c23-18-8-9-20(19(24)12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+",SZMJVTADHFNAIS-BJMVGYQFSA-N
DB06335,361442-04-8,Saxagliptin,approved,"['23137182', '17073841', '18227430', '17848846', '21042540', '18355324', '23263796', '22686547']","['A10BH03', 'A10BD21', 'A10BD25', 'A10BD10']",D08996,1546030,PA165958362,,4114,,CHEMBL385517,50225074,SAXAGLIPTIN,71272,11243969,[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1",QGJUIPDUBHWZPV-SGTAVMJGSA-N
DB06336,914009-84-0,Elsiglutide,investigational,,,,,,,,,,,,,,,,
DB06342,1269764-99-9,Coltuximab ravtansine,investigational,,,,,,,,,,,,,,,,
DB06343,1036734-93-6,Teprotumumab,"['approved', 'investigational']","['28467880', '30575804', '29273685', '31823232', '31814726', '30385883']",,,2274803,,,,,,,,,,,,
DB06345,913548-29-5,AR-9281,investigational,17130447,,,,,,,ZINC000036330562,CHEMBL436774,100423,,,12000797,CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2,"InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)",HUDQLWBKJOMXSZ-UHFFFAOYSA-N
DB06346,936350-00-4,Fiboflapon,investigational,,,,,,,,ZINC000068247071,CHEMBL1922660,50359080,GSK-2190915,177852,44473151,CCOC1=CC=C(C=N1)C1=CC=C(CN2C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C3=CC(OCC4=CC=C(C)C=N4)=CC=C23)C=C1,"InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)",DFQGDHBGRSTTHX-UHFFFAOYSA-N
DB06347,871357-89-0,Cenisertib,investigational,15802297,,,,,,,,CHEMBL1614709,50389967,,,11569967,[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2NC1=C(F)C=NC(NC2=CC=C(N3CCN(C)CC3)C(C)=C2)=N1)C(N)=O,"InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1",KSOVGRCOLZZTPF-QMKUDKLTSA-N
DB06350,936500-94-6,Elinogrel,investigational,,,,,,,,ZINC000043153259,CHEMBL2103828,50397204,PRT-060128 POTASSIUM,,16066663,CNC1=C(F)C=C2C(NC(=O)N(C2=O)C2=CC=C(NC(=O)NS(=O)(=O)C3=CC=C(Cl)S3)C=C2)=C1,"InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)",LGSDFTPAICUONK-UHFFFAOYSA-N
DB06354,154652-83-2,Tezampanel,investigational,16470401,,,,,,,ZINC000005134714,CHEMBL14935,50494341,LY-293558,,127894,[H][C@]1(CCC2=NN=NN2)CC[C@@]2([H])CN[C@@]([H])(C[C@@]2([H])C1)C(O)=O,"InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1",ZXFRFPSZAKNPQQ-YTWAJWBKSA-N
DB06355,,ACY001,investigational,,,,,,,,,,,,,,,,
DB06356,,TRC093,investigational,"['17507095', '17088974']",,,,,,,,,,,,,,,
DB06358,192314-93-5,Iclaprim,investigational,14623005,J01EA03,,,,,4573,,CHEMBL134561,18070,AR-100,131751,213043,COC1=CC(CC2=CN=C(N)N=C2N)=C2C=CC(OC2=C1OC)C1CC1,"InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)",HWJPWWYTGBZDEG-UHFFFAOYSA-N
DB06360,903512-50-5,Lucatumumab,investigational,,,,,,,,,,,,,,,,
DB06361,,rsPSMA Vaccine,"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB06362,119673-08-4,Becatecarin,investigational,,,,,,,,ZINC000003950898,CHEMBL2107313,,BECATECARIN,,101524,CCN(CC)CCN1C(=O)C2=C(C1=O)C1=C(N([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)C3=C(Cl)C=CC=C13)C1=C2C2=C(N1)C(Cl)=CC=C2,"InChI=1S/C33H34Cl2N4O7/c1-4-37(5-2)12-13-38-31(43)22-20-15-8-6-10-17(34)24(15)36-25(20)27-21(23(22)32(38)44)16-9-7-11-18(35)26(16)39(27)33-29(42)28(41)30(45-3)19(14-40)46-33/h6-11,19,28-30,33,36,40-42H,4-5,12-14H2,1-3H3/t19-,28-,29-,30-,33-/m1/s1",JSKFWUPVIZYJMR-UDOAKELVSA-N
DB06364,343247-32-5,XR5944,investigational,15634657,,,,,XR2,,ZINC000022453042,CHEMBL30424,,,,439035,[H]N(CCN([H])CCN([H])C(=O)C1=CC=CC2=NC3=CC=CC(C)=C3N=C12)CCN([H])C(=O)C1=CC=CC2=NC3=CC=CC(C)=C3N=C12,"InChI=1S/C34H34N8O2/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44)",SFOADSRLCHRTKT-UHFFFAOYSA-N
DB06365,151823-14-2,Sapacitabine,investigational,,,,,,,,ZINC000014263648,CHEMBL2105681,,CS-682,145429,153970,CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1C#N,"InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1",LBGFKUUHOPIEMA-PEARBKPGSA-N
DB06366,380610-27-5,Pertuzumab,approved,"['23918291', '16151804']",L01XC13,D05446,1298944,,,,,,,,,,,,
DB06367,362505-84-8,Relacatib,investigational,16962401,,,,,,,ZINC000003955058,CHEMBL203665,19778,RELACATIB,,6918602,CC(C)C[C@H](NC(=O)C1=CC2=CC=CC=C2O1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)C1=CC=CC=N1,"InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1",BWYBBMQLUKXECQ-GIVPXCGWSA-N
DB06368,193681-12-8,Alamifovir,investigational,"['15519660', '15855501']",,,,,,,ZINC000003964493,CHEMBL106502,,,,491022,COC1=CC=C(SC2=C3N=CN(CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)C3=NC(N)=N2)C=C1,"InChI=1S/C19H20F6N5O5PS/c1-32-12-2-4-13(5-3-12)37-16-14-15(28-17(26)29-16)30(10-27-14)6-7-33-11-36(31,34-8-18(20,21)22)35-9-19(23,24)25/h2-5,10H,6-9,11H2,1H3,(H2,26,28,29)",VDBGPMJFHCJMOL-UHFFFAOYSA-N
DB06370,165668-41-7,Indisulam,investigational,"['11561678', '14739663', '16565173']",,,,,EF6,,ZINC000000600748,CHEMBL77517,10890,INDISULAM,145431,216468,NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC2=C1NC=C2Cl,"InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)",SETFNECMODOHTO-UHFFFAOYSA-N
DB06371,288392-69-8,Siplizumab,investigational,,,,,,,,,,,,,,,,
DB06372,501081-76-1,Rilonacept,"['approved', 'investigational']","['12815153', '23319019', '23553601', '23031624']",L04AC04,D06635,763450,,,,,,,,,,,,
DB06374,722533-56-4,Elacestrant,investigational,,,,,,,,,CHEMBL4297509,349630,RAD1901,,23642301,CCNCCC1=CC=C(CN(CC)C2=C(C=CC(OC)=C2)[C@@H]2CCC3=CC(O)=CC=C3C2)C=C1,"InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1",SIFNOOUKXBRGGB-AREMUKBSSA-N
DB06376,,CHGN111,investigational,,,,,,,,,,,,,,,,
DB06379,83652-28-2,Calcitonin gene-related peptide,investigational,,,,,,,,,,,,,,,,
DB06393,135354-02-8,Xaliproden,investigational,,N07XX03,D06327,,,,,ZINC000000577115,CHEMBL1512580,82363,XALIPRODEN,48520,128919,FC(F)(F)C1=CC(=CC=C1)C1=CCN(CCC2=CC3=CC=CC=C3C=C2)CC1,"InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2",WJJYZXPHLSLMGE-UHFFFAOYSA-N
DB06394,1001859-46-6,Riferminogene pecaplasmid,investigational,18388929,,,,,,,,,,,,,,,
DB06395,129639-79-8,Abafungin,investigational,18587237,,,,,,,ZINC000003938976,CHEMBL3989547,,,76005,159326,CC1=CC(C)=C(OC2=CC=CC=C2C2=CSC(N=C3NCCCN3)=N2)C=C1,"InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)",TYBHXIFFPVFXQW-UHFFFAOYSA-N
DB06397,79455-30-4,Nicaraven,investigational,,,,,,,,,CHEMBL1705525,,,,71234,CC(CNC(=O)C1=CC=CN=C1)NC(=O)C1=CC=CN=C1,"InChI=1S/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)",KTXBOOWDLPUROC-UHFFFAOYSA-N
DB06399,845264-92-8,Atacicept,investigational,,,,,,,,,,,,,,,,
DB06400,492448-75-6,Vitespen,investigational,"['11727524', '14755896']",,,,,,,,,,,,,,,
DB06401,198481-32-2,Bazedoxifene,"['approved', 'investigational']","['18072873', '15535430']","['G03XC02', 'G03CC07']",D03062,1441386,,29S,4334,ZINC000001895505,CHEMBL46740,50099585,BAZEDOXIFENE,135947,154257,CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1,"InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3",UCJGJABZCDBEDK-UHFFFAOYSA-N
DB06402,372151-71-8,Telavancin,approved,"['20099988', '22077833', '20426497', '17302529']",J01XA03,,473837,,,4116,,CHEMBL507870,,TELAVANCIN,71229,3081362,CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C3OC4=CC=C(C=C4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]4C(C=C2OC2=C(Cl)C=C(C=C2)[C@@H](O)[C@@H]2NC(=O)[C@H](NC4=O)C4=CC(=C(O)C=C4)C4=C(O)C(CNCP(O)(O)=O)=C(O)C=C4[C@H](NC2=O)C(O)=O)=C3)O[C@@H](C)[C@H]1O,"InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1",ONUMZHGUFYIKPM-MXNFEBESSA-N
DB06403,177036-94-1,Ambrisentan,"['approved', 'investigational']","['18506008', '26196225', '26779523', '25207548', '21299444', '19601701', '19920913', '22205719']","['C02KX02', 'C02KX52']",,358274,PA165860521,,4337,ZINC000000538627,CHEMBL1111,50146710,GSK1325760A,135949,6918493,COC([C@H](OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1",OUJTZYPIHDYQMC-LJQANCHMSA-N
DB06404,,Human C1-esterase inhibitor,approved,"['24266596', '21698655']",B06AC01,,809864,,,,,,,,,,,,
DB06405,21668-77-9,Eprodisate,investigational,,,,,,,,ZINC000005225211,CHEMBL2111092,,KIACTA,,428573,OS(=O)(=O)CCCS(O)(=O)=O,"InChI=1S/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)",MGNVWUDMMXZUDI-UHFFFAOYSA-N
DB06406,162610-17-5,Idraparinux,investigational,,,,,,,,,,,,,3083445,[H][C@]1(O[C@H]2[C@H](OC)[C@@H](OC)[C@]([H])(O[C@@H]3[C@@H](COS(O)(=O)=O)O[C@]([H])(O[C@H]4[C@H](OC)[C@@H](OC)[C@]([H])(O[C@@H]5[C@@H](COS(O)(=O)=O)O[C@H](OC)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)O[C@H]4C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3OS(O)(=O)=O)O[C@@H]2C(O)=O)O[C@H](COS(O)(=O)=O)[C@@H](OC)[C@H](OC)[C@H]1OC,"InChI=1S/C38H64O49S7/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)/t12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,34+,35-,36-,37-,38-/m1/s1",AJBMORBNKXNZSF-COSHMZDQSA-N
DB06408,119567-79-2,Taribavirin,investigational,17235281,,,,,,3582,ZINC000003781686,CHEMBL2111108,,TARIBAVIRIN HYDROCHLORIDE,134989,451448,NC(=N)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1",NHKZSTHOYNWEEZ-AFCXAGJDSA-N
DB06409,20290-10-2,Morphine glucuronide,investigational,17869146,,,,,,,ZINC000014089740,CHEMBL1330,50370478,MORPHINE GLUCURONIDE,80581,5360621,[H][C@]12C=C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4O,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1",GNJCUHZOSOYIEC-GAROZEBRSA-N
DB06410,54573-75-0,Doxercalciferol,approved,"['23960343', '21169421']",H05BX03,D01009,11516,,V2H,957,ZINC000004641374,CHEMBL1200810,,DOXERCALCIFEROL,4712,5281107,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\[C@H](C)C(C)C,"InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1",HKXBNHCUPKIYDM-CGMHZMFXSA-N
DB06412,434-07-1,Oxymetholone,"['illicit', 'approved']","['16633980', '11440282', '11365225', '21860526']",A14AA05,D00490,7813,,,2033,ZINC000118912450,CHEMBL1200585,50248303,,,5281034,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)\C(C[C@]12C)=C/O,"InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1",ICMWWNHDUZJFDW-DHODBPELSA-N
DB06413,112111-43-0,Armodafinil,"['approved', 'investigational']","['25325498', '18363520']",N06BA13,D03215,641465,,,4501,ZINC000003831139,CHEMBL1201192,50336892,CEP-10953,77590,9690109,NC(=O)C[S@@](=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1",YFGHCGITMMYXAQ-LJQANCHMSA-N
DB06414,269055-15-4,Etravirine,approved,,J05AG04,D04112,475969,PA166014703,65B,1115,ZINC000000602632,CHEMBL308954,50103642,R165335,63589,193962,CC1=CC(=CC(C)=C1OC1=C(Br)C(N)=NC(NC2=CC=C(C=C2)C#N)=N1)C#N,"InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)",PYGWGZALEOIKDF-UHFFFAOYSA-N
DB06415,183325-78-2,Calfactant,approved,"['19436610', '25855884', '9934915', '23300398', '15671432', '15201857', '16061594', '11585026', '20063159']",,D03317,232539,,,,,,,,,,,,
DB06419,205110-48-1,Cethromycin,investigational,"['12604553', '12177734', '15469510', '15127365', '12805263', '31730160', '23463743', '25951139', '31106713', '15328118']",,D02391,,,,,,CHEMBL3989904,,A-195773,29506,156417,[H]C(CO[C@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)=C([H])C1=CC2=C(C=CC=C2)N=C1,"InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1",PENDGIOBPJLVBT-AMXFZXBBSA-N
DB06420,92689-49-1,Annamycin,investigational,15542779,,,,,,,ZINC000003918134,,,,,115212,C[C@@H]1O[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=CC=CC=C4C(=O)C2=C3O)C(=O)CO)[C@H](I)[C@H](O)[C@H]1O,"InChI=1S/C26H25IO11/c1-9-19(30)24(35)18(27)25(37-9)38-13-7-26(36,14(29)8-28)6-12-15(13)23(34)17-16(22(12)33)20(31)10-4-2-3-5-11(10)21(17)32/h2-5,9,13,18-19,24-25,28,30,33-36H,6-8H2,1H3/t9-,13-,18+,19-,24-,25-,26-/m0/s1",CIDNKDMVSINJCG-GKXONYSUSA-N
DB06421,891-60-1,Declopramide,investigational,11953831,,,,,,,ZINC000001546399,CHEMBL1618378,,,,70177,CCN(CC)CCNC(=O)C1=CC=C(N)C(Cl)=C1,"InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)",YEYAKZXEBSVURO-UHFFFAOYSA-N
DB06422,202590-69-0,Ticalopride,investigational,,,,,,,,ZINC000000404160,CHEMBL2107465,,,,216236,CO[C@H]1CNCC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC,"InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)/t11-,13+/m1/s1",OMLDMGPCWMBPAN-YPMHNXCESA-N
DB06423,187888-07-9,Endostatin,investigational,"['16376330', '17644065']",,,,,,,,,,,,,,,
DB06429,174636-32-9,Talnetant,investigational,"['17728699', '17727393', '16044668']",,,,,,,,CHEMBL275544,50074819,,,133090,CCC(NC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)",BIAVGWDGIJKWRM-UHFFFAOYSA-N
DB06431,109545-84-8,Evernimicin,investigational,,,,,,,,,CHEMBL263367,,,,6917933,[H][C@]12CO[C@@H](O[C@]3([H])O[C@H](COC)[C@@H](O[C@]4([H])O[C@H](C)[C@H](OC)[C@H](O[C@]5([H])O[C@H](C)[C@@]6([H])O[C@]7(C[C@@H](O)[C@H](O[C@@]8([H])C[C@@H](O[C@@]9([H])C[C@@](C)([C@@H](OC)[C@H](C)O9)[N+]([O-])=O)[C@H](OC(=O)C9=C(OC)C(Cl)=C(O)C(Cl)=C9C)[C@@H](C)O8)[C@@H](C)O7)O[C@]6(C)[C@@H]5O)[C@H]4O)[C@H](O)[C@@H]3OC)[C@H](O)[C@]1([H])O[C@@]1(O2)OC[C@@H](OC(=O)C2=C(O)C=C(O)C=C2C)[C@]2([H])OCO[C@@]12[H],"InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39+,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1",UPADRKHAIMTUCC-OWALTSPQSA-N
DB06433,171176-43-5,Tezacitabine,investigational,,,,,,,,ZINC000003777826,CHEMBL2105467,,MDL-101731,,6435808,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)\C1=C/F,"InChI=1S/C10H12FN3O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-3,6,8-9,15-16H,4H2,(H2,12,13,17)/b5-3+/t6-,8+,9-/m1/s1",GFFXZLZWLOBBLO-ASKVSEFXSA-N
DB06434,219527-63-6,Repifermin,investigational,,,,,,,,,,,,,,,,
DB06435,141374-81-4,Tarazepide,investigational,,,,,,,,ZINC000002015955,CHEMBL1742455,,,188716,10343641,CN1C2=CC=CC=C2C(=N[C@H](NC(=O)C2=CC3=CC=CC4=C3N2CCC4)C1=O)C1=CC=CC=C1,"InChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1",CZPILLBHPRAPCB-AREMUKBSSA-N
DB06436,194413-58-6,Semaxanib,investigational,,,,,,X2M,,ZINC000012410091,CHEMBL276711,497339,SU5416,91083,5329098,CC1=CC(C)=C(N1)\C=C1/C(=O)NC2=CC=CC=C12,"InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-",WUWDLXZGHZSWQZ-WQLSENKSSA-N
DB06437,148883-56-1,Tifacogin,investigational,,,,,,,,,,,,,,,,
DB06439,25301-02-4,Tyloxapol,"['approved', 'investigational']",1992816,R05CA01,D03261,38998,PA164743726,,,,,,,,,,,
DB06440,182760-06-1,Ravuconazole,investigational,,,D02556,,,,,ZINC000000600547,CHEMBL294029,50011476,RAVUCONAZOLE,143825,467825,C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F,"InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1",OPAHEYNNJWPQPX-RCDICMHDSA-N
DB06441,163706-06-7,Cangrelor,approved,"['16595568', '26201463']",B01AC25,D03359,1656052,PA165945763,,5006,ZINC000085537017,CHEMBL334966,50118225,KENGREXAL,90841,9854012,CSCCNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1,"InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1",PAEBIVWUMLRPSK-IDTAVKCVSA-N
DB06442,166518-60-1,Avasimibe,investigational,15333513,,,,,,,ZINC000001540245,CHEMBL101309,50069900,,177719,166558,CC(C)C1=CC(C(C)C)=C(CC(=O)NS(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C)C(=C1)C(C)C,"InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)",PTQXTEKSNBVPQJ-UHFFFAOYSA-N
DB06444,112924-45-5,Dexanabinol,investigational,,,,,,,,ZINC000003799010,CHEMBL334533,50067498,DEXANABINOL,,107778,CCCCCCC(C)(C)C1=CC(O)=C2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)OC2=C1,"InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1",SSQJFGMEZBFMNV-PMACEKPBSA-N
DB06445,121749-39-1,Diethylnorspermine,investigational,,,,,,,,ZINC000003780932,CHEMBL44083,,,,4282,CCNCCCNCCCNCCCNCC,"InChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3",UMJJGDUYVQCBMC-UHFFFAOYSA-N
DB06446,84625-59-2,Dotarizine,investigational,,,,,,,,ZINC000022058279,CHEMBL2106316,,,138033,55285,C(CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1)CC1(OCCO1)C1=CC=CC=C1,"InChI=1S/C29H34N2O2/c1-4-11-25(12-5-1)28(26-13-6-2-7-14-26)31-21-19-30(20-22-31)18-10-17-29(32-23-24-33-29)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2",LRMJAFKKJLRDLE-UHFFFAOYSA-N
DB06447,162679-36-9,E5531,investigational,,,,,,,,,,,,,6442269,[H]N([C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC(=O)CCC\C=C/CCCCCC)[C@H]2N([H])C(=O)CC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OCC[C@H](O)CCCCCCC)C(=O)CC(=O)CCCCCCCCCCC,"InChI=1S/C73H136N2O22P2/c1-7-12-17-22-25-28-31-36-40-45-58(77)53-63(79)74-66-70(90-51-49-57(76)44-39-34-20-15-10-4)68(82)61(94-73(66)97-99(86,87)88)56-92-72-67(75-64(80)54-59(78)46-41-37-32-29-26-23-18-13-8-2)71(69(96-98(83,84)85)62(95-72)55-89-6)91-52-50-60(47-42-35-21-16-11-5)93-65(81)48-43-38-33-30-27-24-19-14-9-3/h30,33,57,60-62,66-73,76,82H,7-29,31-32,34-56H2,1-6H3,(H,74,79)(H,75,80)(H2,83,84,85)(H2,86,87,88)/b33-30-/t57-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1",GDODKYPBSZCPOO-XFMGTHRKSA-N
DB06448,193275-84-2,Lonafarnib,"['approved', 'investigational']","['31077852', '23897869', '29710166', '27400896', '31152494', '23390246', '16443667', '17051523', '31036409', '32404427', '29466530', '9822558']",,,2467553,PA166129466,336,5414,ZINC000003950115,CHEMBL298734,14459,SCH66336,47097,148195,NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2C3=C(CCC4=C2C(Br)=CC(Cl)=C4)C=C(Br)C=N3)CC1,"InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1",DHMTURDWPRKSOA-RUZDIDTESA-N
DB06449,149824-15-7,Ilodecakin,investigational,,,,,,,,,,,,,,,,
DB06451,151879-73-1,Aprinocarsen,investigational,,,,,,,,,,,,,,[H]C1(O)CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])COP(O)(=S)OC1([H])CC([H])(OC1([H])CO)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=C(C)C(O)=NC1=O)N1C=CC(=N)N=C1O)N1C=C(C)C(O)=NC1=O)N1C=CC(=N)N=C1O)N1C=NC2=C1NC(=N)N=C2O)N1C=CC(=N)N=C1O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=NC2=C1NC(=N)N=C2O)N1C=NC2=C(N)N=CN=C12)N1C=NC2=C1NC(=N)N=C2O)N1C=C(C)C(O)=NC1=O)N1C=C(C)C(O)=NC1=O)N1C=C(C)C(O)=NC1=O)N1C=CC(=N)N=C1O)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C196H249N68O105P19S19/c1-75-37-249(189(285)237-165(75)267)132-23-89(109(337-132)51-313-371(294,390)351-84-18-141(331-103(84)45-265)259-69-215-149-159(259)225-179(203)231-173(149)275)359-378(301,397)320-54-112-92(26-135(340-112)252-40-78(4)168(270)240-192(252)288)358-377(300,396)315-48-106-86(20-129(334-106)246-14-10-124(198)222-186(246)282)353-372(295,391)318-52-110-90(24-133(338-110)250-38-76(2)166(268)238-190(250)286)356-376(299,395)316-49-107-88(22-131(335-107)248-16-12-126(200)224-188(248)284)355-374(297,393)326-60-118-98(32-142(346-118)260-70-216-150-160(260)226-180(204)232-174(150)276)365-383(306,402)317-50-108-87(21-130(336-108)247-15-11-125(199)223-187(247)283)354-373(296,392)319-53-111-95(29-138(339-111)255-43-81(7)171(273)243-195(255)291)362-381(304,400)328-62-120-102(36-146(348-120)264-74-220-154-164(264)230-184(208)236-178(154)280)369-388(311,407)330-64-122-100(34-144(350-122)262-72-218-152-162(262)228-182(206)234-176(152)278)367-385(308,404)324-58-116-96(30-139(344-116)256-44-82(8)172(274)244-196(256)292)363-382(305,401)327-61-119-101(35-145(347-119)263-73-219-153-163(263)229-183(207)235-177(153)279)368-387(310,406)325-59-117-97(31-140(345-117)258-68-214-148-156(202)210-66-212-158(148)258)364-386(309,405)329-63-121-99(33-143(349-121)261-71-217-151-161(261)227-181(205)233-175(151)277)366-384(307,403)323-57-115-94(28-137(343-115)254-42-80(6)170(272)242-194(254)290)361-380(303,399)322-56-114-93(27-136(342-114)253-41-79(5)169(271)241-193(253)289)360-379(302,398)321-55-113-91(25-134(341-113)251-39-77(3)167(269)239-191(251)287)357-375(298,394)314-47-105-85(19-128(333-105)245-13-9-123(197)221-185(245)281)352-370(293,389)312-46-104-83(266)17-127(332-104)257-67-213-147-155(201)209-65-211-157(147)257/h9-16,37-44,65-74,83-122,127-146,265-266H,17-36,45-64H2,1-8H3,(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H2,197,221,281)(H2,198,222,282)(H2,199,223,283)(H2,200,224,284)(H2,201,209,211)(H2,202,210,212)(H,237,267,285)(H,238,268,286)(H,239,269,287)(H,240,270,288)(H,241,271,289)(H,242,272,290)(H,243,273,291)(H,244,274,292)(H3,203,225,231,275)(H3,204,226,232,276)(H3,205,227,233,277)(H3,206,228,234,278)(H3,207,229,235,279)(H3,208,230,236,280)",NMYKBZSMOUFOJV-UHFFFAOYSA-N
DB06453,244130-01-6,Mirostipen,investigational,,,,,,,,,,,,,,,,
DB06454,351862-32-3,Sarizotan,investigational,,,,,,,,ZINC000000021067,CHEMBL220808,50027256,SARIZOTAN HYDROCHLORIDE,,6918388,FC1=CC=C(C=C1)C1=CN=CC(CNC[C@H]2CCC3=CC=CC=C3O2)=C1,"InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1",HKFMQJUJWSFOLY-OAQYLSRUSA-N
DB06455,146362-70-1,Meclinertant,investigational,,,,,,,,ZINC000001482927,CHEMBL506981,50248034,SR-48692,125516,119192,COC1=CC=CC(OC)=C1C1=CC(=NN1C1=C2C=CC(Cl)=CC2=NC=C1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O,"InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)",DYLJVOXRWLXDIG-UHFFFAOYSA-N
DB06457,75970-99-9,Tecastemizole,investigational,,,D06021,,,,,ZINC000000002303,CHEMBL61301,50117925,,,123618,FC1=CC=C(CN2C(NC3CCNCC3)=NC3=CC=CC=C23)C=C1,"InChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)23-19(24)22-16-9-11-21-12-10-16/h1-8,16,21H,9-13H2,(H,22,23)",SFOVDSLXFUGAIV-UHFFFAOYSA-N
DB06458,128298-28-2,Remacemide,investigational,,,,,,,,,CHEMBL25843,50239381,,91654,60511,CC(CC1=CC=CC=C1)(NC(=O)CN)C1=CC=CC=C1,"InChI=1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)",YSGASDXSLKIKOD-UHFFFAOYSA-N
DB06460,167256-08-8,Enrasentan,investigational,,,,,,,,ZINC000003825437,CHEMBL431651,50061077,,156258,178103,CCCOC1=CC=C2[C@@H]([C@H]([C@@H](C2=C1)C1=CC=C(OC)C=C1OCCO)C(O)=O)C1=CC=C2OCOC2=C1,"InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1",GLCKXJLCYIJMRB-UPRLRBBYSA-N
DB06461,148717-90-2,Squalamine,investigational,11297269,,,,,,,ZINC000030160243,CHEMBL444929,,SQUALAMINE LACTATE,80765,72495,CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCN)OS(O)(=O)=O,"InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1",UIRKNQLZZXALBI-MSVGPLKSSA-N
DB06462,216503-58-1,Mitumomab,investigational,,,D05061,,,,,,,,,,,,,
DB06463,,IR502,investigational,,,,,,,,,,,,,,,,
DB06464,,IR501,investigational,,,,,,,,,,,,,,,,
DB06465,133920-70-4,FK-960,investigational,,,,,,,,ZINC000000006740,,,,,181428,CC(=O)N1CCN(CC1)NC(=O)C1=CC=C(F)C=C1,"InChI=1S/C13H16FN3O2/c1-10(18)16-6-8-17(9-7-16)15-13(19)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3,(H,15,19)",XTOKQKWTUYYVAO-UHFFFAOYSA-N
DB06467,267227-08-7,Apolizumab,investigational,17071489,,,,,,,,,,,,,,,
DB06468,159138-80-4,Cariporide,investigational,,,,,,HG0,,ZINC000013474734,CHEMBL436559,50058759,,,151172,CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)NC(N)=N,"InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)",IWXNYAIICFKCTM-UHFFFAOYSA-N
DB06469,111358-88-4,Lestaurtinib,investigational,,,,,,,,,CHEMBL175105,,,,9932888,C[C@]12O[C@H](C[C@]1(O)CO)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C3C(=O)NC4)C3=CC=CC=C3N21,"InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18?,25-,26-/m0/s1",UIARLYUEJFELEN-DMVVYWCZSA-N
DB06470,533-45-9,Clomethiazole,investigational,"['17895123', '17321821']","['N05CX04', 'N05CM02']",,2372,,,602,ZINC000000001192,CHEMBL315795,234400,CLOMETHIAZOLE,92875,10783,CC1=C(CCCl)SC=N1,"InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3",PCLITLDOTJTVDJ-UHFFFAOYSA-N
DB06471,166374-49-8,Naxifylline,investigational,,,,,,,,,,,,,70691449,[H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])C[C@@H]1C1=NC2=C(N1)N(CCC)C(=O)C(CCC)C2=O,"InChI=1S/C19H25N3O3/c1-3-5-10-14(23)13-18(22(6-4-2)19(10)24)21-17(20-13)12-8-9-7-11(12)16-15(9)25-16/h9-12,15-16H,3-8H2,1-2H3,(H,20,21)/t9-,10?,11+,12+,15-,16+/m1/s1",NJYNSYQBNSDGIQ-RDDCQWBRSA-N
DB06472,148396-36-5,Fradafiban,investigational,,,,,,,,,CHEMBL3085474,,FRADAFIBAN,73266,66000,NC(=N)C1=CC=C(C=C1)C1=CC=C(OC[C@@H]2C[C@@H](CC(O)=O)C(=O)N2)C=C1,"InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1",IKZACQMAVUIGPY-HOTGVXAUSA-N
DB06474,,Sibrotuzumab,investigational,,,,,,,,,,,,,,,,
DB06475,220651-94-5,Ruplizumab,investigational,,,,,,,,,,,,,,,,
DB06477,179386-43-7,Sumanirole,investigational,,,,,,,,ZINC000003960633,CHEMBL419792,50056443,SUMANIROLE,,9818479,CN[C@H]1CN2C(=O)NC3=CC=CC(C1)=C23,"InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1",RKZSNTNMEFVBDT-MRVPVSSYSA-N
DB06478,801-52-5,Porfiromycin,investigational,,,,,,,,ZINC000100091597,CHEMBL521078,,"U-14,743",,13116,CO[C@]12[C@@H]3[C@H](CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O)N3C,"InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)/t7-,8+,14+,16-,19?/m1/s1",HRHKSTOGXBBQCB-VFWICMBZSA-N
DB06479,55242-55-2,Propentofylline,investigational,,N06BC02,,34644,,POY,2296,ZINC000001915505,CHEMBL1079905,50492435,,32061,4938,CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C,"InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3",RBQOQRRFDPXAGN-UHFFFAOYSA-N
DB06480,179474-81-8,Prucalopride,approved,"['24308797', '11696108', '29147138', '11438309', '27614912', '27127190']",A06AX05,,2107310,,,3502,ZINC000001891034,CHEMBL117287,50122872,MOTEGRITY,135552,3052762,COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1,"InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)",ZPMNHBXQOOVQJL-UHFFFAOYSA-N
DB06481,202057-76-9,Manitimus,investigational,,,,,,,,ZINC000083333841,CHEMBL4754445,,,,54686843,O\C(CCC#C)=C(\C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C15H11F3N2O2/c1-2-3-4-13(21)12(9-19)14(22)20-11-7-5-10(6-8-11)15(16,17)18/h1,5-8,21H,3-4H2,(H,20,22)/b13-12-",IRELROQHIPLASX-SEYXRHQNSA-N
DB06482,,ALGRX 1207,investigational,,,,,,,,,,,,,,,,
DB06485,93265-81-7,Ropidoxuridine,investigational,,,,,,,,ZINC000006091380,CHEMBL2103821,,ROPIDOXURIDINE,,9840777,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C=NC1=O,"InChI=1S/C9H11IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8+/m0/s1",XIJXHOVKJAXCGJ-XLPZGREQSA-N
DB06486,170364-57-5,Enzastaurin,investigational,,,,,,,,ZINC000001494900,CHEMBL300138,50128285,ENZASTAURIN HYDROCHLORIDE,91368,176167,CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12,"InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)",AXRCEOKUDYDWLF-UHFFFAOYSA-N
DB06489,188630-14-0,Liatermin,investigational,,,,,,,,,,,,,,,,
DB06492,507453-82-9,Mirococept,investigational,,,,,,,,,,,,,,,,
DB06493,697766-75-9,Velafermin,investigational,,,,1317116,,,,,,,,,,,,
DB06494,308831-61-0,Sufugolix,investigational,,,,,,,,ZINC000003842924,CHEMBL22055,50122654,,,3038517,CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)CC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=CC=C1,"InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)",UCQSBGOFELXYIN-UHFFFAOYSA-N
DB06495,199685-57-9,Onercept,investigational,,,,,,,,,,,,,,,,
DB06496,142985-55-5,Dextrin 2-sulfate,investigational,,,,,,,,,,,,,,,,
DB06497,461443-59-4,Aplaviroc,investigational,,,,,,,,ZINC000003990418,CHEMBL1255794,50336345,APLAVIROC,,3001322,[H][C@@]1(NC(=O)C2(CCN(CC3=CC=C(OC4=CC=C(C=C4)C(O)=O)C=C3)CC2)N(CCCC)C1=O)[C@H](O)C1CCCCC1,"InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1",GWNOTCOIYUNTQP-FQLXRVMXSA-N
DB06498,,L523S,investigational,"['16581300', '12644826']",,,,,,,,,,,,,,,
DB06499,67700-30-5,Furaprofen,investigational,,,,,,,,,CHEMBL2107396,,,,37801,CC(C(O)=O)C1=CC=CC2=C1OC=C2C1=CC=CC=C1,"InChI=1S/C17H14O3/c1-11(17(18)19)13-8-5-9-14-15(10-20-16(13)14)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",ODZUWQAFWMLWCF-UHFFFAOYSA-N
DB06503,,MLN2222,investigational,,,,,,,,,,,,,,,,
DB06504,,S-8510,investigational,"['9622853', '8709114', '9653874', '9952067', '9004347']",,,,,,,ZINC000006119198,,,,,135409387,C1CC2=C(CO1)C1=C(NC(=N1)C1=NOC=C1)C=N2,"InChI=1S/C12H10N4O2/c1-3-17-6-7-8(1)13-5-10-11(7)15-12(14-10)9-2-4-18-16-9/h2,4-5H,1,3,6H2,(H,14,15)",ITPFSYAYHHPKRT-UHFFFAOYSA-N
DB06506,144980-29-0,Repinotan,investigational,,,,,,,,ZINC000001552489,CHEMBL1614652,,REPINOTAN,,198757,O=C1N(CCCCNC[C@H]2CCC3=CC=CC=C3O2)S(=O)(=O)C2=CC=CC=C12,"InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1",YGYBFMRFXNDIPO-QGZVFWFLSA-N
DB06508,278598-52-0,GW-559090,investigational,,,,,,,,ZINC000003976535,,,,,9809516,CC(C)C[C@H](NC(=O)COC1=CC=CC=C1C)C(=O)N[C@@H](CC1=CC=C(OC(=O)N2CCC(CC2)C(N)=O)C=C1)C(O)=O,"InChI=1S/C31H40N4O8/c1-19(2)16-24(33-27(36)18-42-26-7-5-4-6-20(26)3)29(38)34-25(30(39)40)17-21-8-10-23(11-9-21)43-31(41)35-14-12-22(13-15-35)28(32)37/h4-11,19,22,24-25H,12-18H2,1-3H3,(H2,32,37)(H,33,36)(H,34,38)(H,39,40)/t24-,25-/m0/s1",RZMCXMNNXGCFQG-DQEYMECFSA-N
DB06510,331741-94-7,Muraglitazar,investigational,,,,,,,,ZINC000049650290,CHEMBL186179,50150998,BMS-298585,188851,206044,COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1,"InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)",IRLWJILLXJGJTD-UHFFFAOYSA-N
DB06511,,AMGN-0007,investigational,12548591,,,,,,,,,,,,,,,
DB06512,120444-71-5,Deramciclane,investigational,2502985,,,,,,,ZINC000003643198,CHEMBL2104698,,,,119590,[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)C1=CC=CC=C1,"InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1",QOBGWWQAMAPULA-RLLQIKCJSA-N
DB06515,57444-62-9,Resiniferatoxin,investigational,2747924,,,,,6EU,,ZINC000004262463,CHEMBL17976,50052442,LOPAIN,8809,5702546,[H][C@]12O[C@]3(CC4=CC=CC=C4)O[C@]1(C[C@@]([H])(C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)CC3=CC(OC)=C(O)C=C3)=C[C@@]21[H])C(C)=C,"InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1",DSDNAKHZNJAGHN-MXTYGGKSSA-N
DB06517,346689-77-8,MLN576,investigational,15457125,,,,,,,ZINC000003993858,CHEMBL162781,,,,9886593,COC1=C2C=CC3=NC4=CC=CC(C(=O)N[C@H](C)CN(C)C)=C4N=C3C2=CC=C1,"InChI=1S/C23H24N4O2/c1-14(13-27(2)3)24-23(28)17-8-5-9-18-22(17)26-21-16-7-6-10-20(29-4)15(16)11-12-19(21)25-18/h5-12,14H,13H2,1-4H3,(H,24,28)/t14-/m1/s1",ACAXGYADTLFREX-CQSZACIVSA-N
DB06518,449811-92-1,R-1487,investigational,,,,,,3FN,,ZINC000058633224,CHEMBL1230122,50341342,,,11406590,CN1C(=O)C(OC2=CC=C(F)C=C2F)=CC2=C1N=C(NC1CCOCC1)N=C2,"InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24)",KKKRKRMVJRHDMG-UHFFFAOYSA-N
DB06519,213411-83-7,Edaglitazone,investigational,,,,,,8A7,,,CHEMBL3990804,,EDAGLITAZONE,,9825701,CC1=C(CCOC2=C3C=CSC3=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1,"InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)",HAAXAFNSRADSMK-UHFFFAOYSA-N
DB06521,251303-04-5,Ertiprotafib,investigational,,,,,,,,ZINC000001547338,CHEMBL184041,50209683,,,157049,CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1,"InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1",FONCZICQWCUXEB-RUZDIDTESA-N
DB06523,206269-27-4,Levovirin,investigational,,,,,,,,ZINC000000896749,CHEMBL274536,,,,460516,NC(=O)C1=NN(C=N1)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m0/s1",IWUCXVSUMQZMFG-RGDLXGNYSA-N
DB06525,457075-21-7,Ganstigmine,investigational,,,,,,,,ZINC000003814007,CHEMBL121810,10970,,,9823294,CCC1=C(NC(=O)OC2=CC3=C(C=C2)N(C)[C@H]2ON(C)CC[C@@]32C)C=CC=C1,"InChI=1S/C22H27N3O3/c1-5-15-8-6-7-9-18(15)23-21(26)27-16-10-11-19-17(14-16)22(2)12-13-24(3)28-20(22)25(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)/t20-,22-/m0/s1",ZOBDWFRKFSPCRB-UNMCSNQZSA-N
DB06527,3687-18-1,Tramiprosate,investigational,,,D06202,1374845,,A20,,ZINC000001529636,CHEMBL149082,50281573,TRAMIPROSATE,194495,1646,NCCCS(O)(=O)=O,"InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)",SNKZJIOFVMKAOJ-UHFFFAOYSA-N
DB06529,96604-21-6,Ocinaplon,investigational,,,,,,,,ZINC000000005014,CHEMBL2105199,,,,216456,O=C(C1=C2N=CC=C(N2N=C1)C1=CC=NC=C1)C1=CC=CC=N1,InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H,OQJFBUOFGHPMSR-UHFFFAOYSA-N
DB06530,144875-48-9,Resiquimod,investigational,14638493,,,,,RX8,,ZINC000028572103,CHEMBL383322,50241029,RESIQUIMOD,36706,159603,CCOCC1=NC2=C(N)N=C3C=CC=CC3=C2N1CC(C)(C)O,"InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)",BXNMTOQRYBFHNZ-UHFFFAOYSA-N
DB06532,186953-56-0,Pafuramidine,investigational,,,,718967,,,,ZINC000006482036,CHEMBL319669,,DB289,,459963,CONC(=N)C1=CC=C(C=C1)C1=CC=C(O1)C1=CC=C(C=C1)C(=N)NOC,"InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)",UKOQVLAXCBRRGH-UHFFFAOYSA-N
DB06533,222834-30-2,Ragaglitazar,investigational,12556350,,,,,,,,CHEMBL24683,50126701,,,128814,CCO[C@H](CC1=CC=C(OCCN2C3=CC=CC=C3OC3=C2C=CC=C3)C=C1)C(O)=O,"InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m1/s1",WMUIIGVAWPWQAW-XMMPIXPASA-N
DB06534,9014-42-0,Thrombopoietin,investigational,,,,,,,,,,,,,,,,
DB06535,37178-37-3,Etilevodopa,investigational,,N04BA06,,1421444,,,4422,ZINC000056897596,CHEMBL1823681,,,135971,170345,CCOC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1,"InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1",NULMGOSOSZBEQL-QMMMGPOBSA-N
DB06536,251565-85-2,Tesaglitazar,investigational,"['16183630', '17631296']",,,,,AZ2,,ZINC000001550769,CHEMBL282686,28798,AZ-242,,208901,CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O,"InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1",CXGTZJYQWSUFET-IBGZPJMESA-N
DB06538,169758-66-1,Robalzotan,investigational,,,,,,,,ZINC000003811952,CHEMBL1628569,,,,3055171,NC(=O)C1=C2C[C@H](COC2=C(F)C=C1)N(C1CCC1)C1CCC1,"InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1",MQTUXRKNJYPMCG-CYBMUJFWSA-N
DB06543,472-61-7,Astaxanthin,investigational,,,,18451,,AXT,,ZINC000100042059,CHEMBL1255871,,ASTAXANTHIN,40968,5281224,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,"InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1",MQZIGYBFDRPAKN-UWFIBFSHSA-N
DB06545,244096-20-6,Gavilimomab,investigational,,,,,,,,,,,,,,,,
DB06546,2417175-94-9,Atibuclimab,investigational,"['11207321', '14733726', '11717588']",,,,,,,,,,,,,,,
DB06548,180064-38-4,Minodronic acid,investigational,"['15579431', '16673205']",,,,,M0N,4074,ZINC000003803518,CHEMBL319144,25308,ONO-5920,,130956,OC(CC1=CN=C2C=CC=CN12)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)",VMMKGHQPQIEGSQ-UHFFFAOYSA-N
DB06549,159768-75-9,Labradimil,investigational,,,,,,,,,CHEMBL2105864,,RMP-7,,6918284,COC1=CC=C(C[C@@H](CN[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CS2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCN=C(N)N)C=C1,"InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30+,33-,34-,35-,36-,37-,38-,39-/m0/s1",IDXCXSCCZNCXCL-XMADEQCMSA-N
DB06550,,Bivatuzumab,investigational,"['14506195', '14530488']",,,,,,,,,,,,,,,
DB06552,,rNAPc2,investigational,19118048,,,,,,,,,,,,,,,
DB06554,64603-91-4,Gaboxadol,investigational,,,D04282,,,,,ZINC000019795995,CHEMBL312443,82002,MK-0928,34373,3448,O=C1NOC2=C1CCNC2,"InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)",ZXRVKCBLGJOCEE-UHFFFAOYSA-N
DB06555,147817-50-3,Siramesine,investigational,,,,,,,,ZINC000001533883,CHEMBL61479,50035105,,,9829526,FC1=CC=C(C=C1)N1C=C(CCCCN2CCC3(CC2)OCC2=CC=CC=C32)C2=CC=CC=C12,"InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2",XWAONOGAGZNUSF-UHFFFAOYSA-N
DB06556,476273-48-0,Edifoligide,investigational,,,,,,,,,,,,,,,,
DB06557,285985-06-0,Lerdelimumab,investigational,,,,,,,,,,,,,,,,
DB06558,180384-57-0,Tezosentan,investigational,"['12021573', '11511432']",,,,,,,ZINC000003954692,CHEMBL61780,50143800,ACT-050089,,151174,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=NC=C(C=C2)C(C)C)N=C(N=C1OCCO)C1=CC(=NC=C1)C1=NNN=N1,"InChI=1S/C27H27N9O6S/c1-16(2)18-8-9-22(29-15-18)43(38,39)34-26-23(42-21-7-5-4-6-20(21)40-3)27(41-13-12-37)31-24(30-26)17-10-11-28-19(14-17)25-32-35-36-33-25/h4-11,14-16,37H,12-13H2,1-3H3,(H,30,31,34)(H,32,33,35,36)",TUYWTLTWNJOZNY-UHFFFAOYSA-N
DB06559,117276-75-2,Lanimostim,investigational,,,,,,,,,,,,,,,,
DB06560,331243-22-2,Pascolizumab,investigational,12296858,,,,,,,,,,,,,,,
DB06562,159075-60-2,Emfilermin,investigational,,,,,,,,,,,,,,,,
DB06568,,alpha-Hydroxy glycineamide,investigational,"['24780097', '18644965', '19356241']",,,,,,,,,,,,,,,
DB06569,384329-61-7,P-57AS3,investigational,,,,,,,,ZINC000255201631,,,,,9962786,[H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])C[C@@H](OC(=O)C(\C)=C\C)[C@]1(C)[C@H](CC[C@]21O)C(C)=O)O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](OC)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1,"InChI=1S/C47H74O15/c1-12-23(2)43(51)60-35-20-32-31(47(52)18-16-30(24(3)48)46(35,47)8)14-13-28-19-29(15-17-45(28,32)7)59-36-21-33(53-9)40(26(5)56-36)61-37-22-34(54-10)41(27(6)57-37)62-44-39(50)42(55-11)38(49)25(4)58-44/h12-13,25-27,29-42,44,49-50,52H,14-22H2,1-11H3/b23-12+/t25-,26-,27-,29+,30-,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41-,42+,44+,45+,46+,47+/m1/s1",CBMQKMMZBOSHHP-VXXSQTRDSA-N
DB06573,259188-38-0,Rebimastat,investigational,,,,,,,,ZINC000003939175,CHEMBL76222,50108168,D2163,,9913881,CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C,"InChI=1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16+/m0/s1",GTXSRFUZSLTDFX-HRCADAONSA-N
DB06575,195157-34-7,Valomaciclovir,investigational,,,,,,,,ZINC000005457090,CHEMBL2107301,,EPB-348,,135544014,CC(C)[C@H](N)C(=O)OCC[C@@H](CO)CN1C=NC2=C1N=C(N)NC2=O,"InChI=1S/C15H24N6O4/c1-8(2)10(16)14(24)25-4-3-9(6-22)5-21-7-18-11-12(21)19-15(17)20-13(11)23/h7-10,22H,3-6,16H2,1-2H3,(H3,17,19,20,23)/t9-,10+/m1/s1",ATSZELKUSAREPW-ZJUUUORDSA-N
DB06576,909110-25-4,Baminercept,investigational,,,,,,,,,,,,,,,,
DB06578,175013-84-0,Tonabersat,investigational,,,,,,,,ZINC000003823813,CHEMBL318191,,TONABERSAT,,6918324,CC(=O)C1=CC=C2OC(C)(C)[C@@H](O)[C@@H](NC(=O)C3=CC=C(F)C(Cl)=C3)C2=C1,"InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1",XLIIRNOPGJTBJD-ROUUACIJSA-N
DB06579,840486-93-3,Adipiplon,investigational,,,,,,,,ZINC000030691732,CHEMBL2103791,,NG2-73,,11198924,CCCC1=C(CN2C=CN=C2C2=C(F)C=CC=N2)N=CN2N=C(C)N=C12,"InChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3",UAMAIHOEGLEXSV-UHFFFAOYSA-N
DB06580,121104-96-9,Celgosivir,investigational,,,,,,,,ZINC000003797478,CHEMBL2110737,,"MDL 28,574A",,60734,CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O,"InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1",HTJGLYIJVSDQAE-VWNXEWBOSA-N
DB06581,174022-42-5,Bevirimat,investigational,"['17638699', '16956950', '18043758']",,,,,,,ZINC000003936686,CHEMBL404519,50050955,PA-457,65484,457928,[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C,"InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1",YJEJKUQEXFSVCJ-WRFMNRASSA-N
DB06582,82059-50-5,Dextofisopam,investigational,,,,,,,,ZINC000000608106,CHEMBL2107331,,DEXTOFISOPAM,,204105,CC[C@@H]1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC=C(OC)C(OC)=C1,"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3/t15-/m0/s1",RUJBDQSFYCKFAA-HNNXBMFYSA-N
DB06584,350485-85-7,TG4010,investigational,,,,,,,,,,,,,,,,
DB06585,150586-58-6,Fipamezole,investigational,,,,,,,,,CHEMBL1255582,50417007,FIPAMEZOLE,,213041,CCC1(CC2=CC=C(F)C=C2C1)C1=CNC=N1,"InChI=1S/C14H15FN2/c1-2-14(13-8-16-9-17-13)6-10-3-4-12(15)5-11(10)7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)",KXSUAWAUCNFBQJ-UHFFFAOYSA-N
DB06586,282526-98-1,Cetilistat,investigational,18393108,,,,,,4886,ZINC000014128264,CHEMBL2103825,,CETILISTAT,134721,9952916,CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C)C=C2)C(=O)O1,"InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3",MVCQKIKWYUURMU-UHFFFAOYSA-N
DB06587,154738-42-8,Mitemcinal,investigational,17926229,,,,,,,ZINC000085537008,CHEMBL2110756,85390,GM-611,,6918267,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC,"InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-/m1/s1",BELMMAAWNYFCGF-PZXAHSFZSA-N
DB06588,1213777-80-0,Triphendiol,investigational,,,,,,,,,,,,,25022868,COC1=CC=C(C=C1)[C@@H]1[C@@H](COC2=CC(O)=CC=C12)C1=CC=C(O)C=C1,"InChI=1S/C22H20O4/c1-25-18-9-4-15(5-10-18)22-19-11-8-17(24)12-21(19)26-13-20(22)14-2-6-16(23)7-3-14/h2-12,20,22-24H,13H2,1H3/t20-,22-/m0/s1",KQCJZAUNKSGEFM-UNMCSNQZSA-N
DB06589,444731-52-6,Pazopanib,approved,"['23548165', '23488774', '18230058', '23072642']",L01XE11,D05380,714438,,,4118,ZINC000011617039,CHEMBL477772,26474,PAZOPANIB HYDROCHLORIDE,71219,10113978,CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1,"InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)",CUIHSIWYWATEQL-UHFFFAOYSA-N
DB06590,229016-73-3,Ceftaroline fosamil,"['approved', 'investigational']","['23459495', '18246523', '19207097', '20334458', '20001879']",J01DI02,D08884,1040004,,,,,CHEMBL501122,50482776,PPI-0903,70718,57514685,[H][C@]12SCC(SC3=NC(=CS3)C3=CC=[N+](C)C=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\C1=NSC(NP(O)(O)=O)=N1)C([O-])=O,"InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13-/t14-,19-/m1/s1",ZCCUWMICIWSJIX-NQJJCJBVSA-N
DB06592,1394129-74-8,Pegargiminase,investigational,,,,,,,,,,,,,,,,
DB06594,138112-76-2,Agomelatine,"['approved', 'investigational']","['15289999', '18368944', '17917564']",N06AX22,D02578,,PA165958363,AWY,99,ZINC000000005608,CHEMBL10878,50035179,VALDOXAN,134990,82148,COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1,"InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)",YJYPHIXNFHFHND-UHFFFAOYSA-N
DB06595,120685-11-2,Midostaurin,"['approved', 'investigational']","['20733134', '27355533', '27186148', '16969355', '19026036']",L01XE39,D05029,1919083,,2K2,5231,ZINC000100013130,CHEMBL608533,50326053,RYDAPT,63452,9829523,CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1,"InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1",BMGQWWVMWDBQGC-IIFHNQTCSA-N
DB06597,172377-52-5,Estradiol sulfamate,investigational,,,,,,,,ZINC000003825544,CHEMBL219321,50200937,,,6918339,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS(N)(=O)=O)C=C3CC[C@@]21[H],"InChI=1S/C18H25NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,20H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,17+,18+/m1/s1",YXYXCSOJKUAPJI-ZBRFXRBCSA-N
DB06598,203258-60-0,Brostallicin,investigational,,,,,PA166119001,,,ZINC000003979512,CHEMBL1189025,,BROSTALLICIN,,6918408,CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC(NC(=O)C(Br)=C)=CN4C)=CN3C)=CN2C)C=C1C(=O)NCCN=C(N)N,"InChI=1S/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)",RXOVOXFAAGIKDQ-UHFFFAOYSA-N
DB06599,845816-02-6,Lexatumumab,investigational,"['18056199', '17671142']",,,,,,,,,,,,,,,
DB06600,378746-64-6,Nemonoxacin,investigational,,J01MB08,,,,,5079,ZINC000040435195,CHEMBL1213456,,TG-873870,136053,11993740,COC1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1N1C[C@@H](C)C[C@H](N)C1)C1CC1,"InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1",AVPQPGFLVZTJOR-RYUDHWBXSA-N
DB06602,241473-69-8,Reslizumab,"['approved', 'investigational']","['27056586', '25736990', '27621657']",R03DX08,,1746889,,,,,,,,,,,,
DB06603,404950-80-7,Panobinostat,"['approved', 'investigational']","['26362997', '16428510']",L01XX42,D10019,1603350,PA166161307,LBH,4682,ZINC000022010649,CHEMBL483254,198124,FARYDAK,85990,6918837,CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C2=CC=CC=C2N1,"InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+",FPOHNWQLNRZRFC-ZHACJKMWSA-N
DB06604,473289-62-2,Ilepatril,investigational,,,,,,,,ZINC000003928701,CHEMBL3187812,,AVE-7688,,9824131,[H][C@]12CCC[C@H](N1C(=O)[C@H](CC1=C2C=CC=C1)NC(=O)[C@@H](SC(C)=O)C(C)C)C(O)=O,"InChI=1S/C22H28N2O5S/c1-12(2)19(30-13(3)25)20(26)23-16-11-14-7-4-5-8-15(14)17-9-6-10-18(22(28)29)24(17)21(16)27/h4-5,7-8,12,16-19H,6,9-11H2,1-3H3,(H,23,26)(H,28,29)/t16-,17+,18-,19-/m0/s1",FXKFFTMLFPWYFH-RDGPPVDQSA-N
DB06605,503612-47-3,Apixaban,approved,"['21870978', '18832478']",B01AF02,D03213,1364430,PA166163740,GG2,4298,ZINC000011677837,CHEMBL231779,19023,BMS-562247,72296,10182969,COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O,"InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)",QNZCBYKSOIHPEH-UHFFFAOYSA-N
DB06606,876387-05-2,Teplizumab,investigational,"['31180194', '10716879', '31533907', '33459118', '31157632', '26518356', '31523950', '33418839']",,,,,,,,,,,,,,,
DB06607,509077-98-9,Catumaxomab,"['withdrawn', 'approved', 'investigational']","['20565453', '20347527']",L01XC09,,,,,,,,,,,,,,
DB06608,106635-80-7,Tafenoquine,"['approved', 'investigational']","['10615272', '25759576', '25921416', '27528800']",P01BA07,,2054023,PA166115580,,3578,,CHEMBL298470,,TAFENOQUINE SUCCINATE,141487,115358,COC1=CC(C)=C2C(OC3=CC=CC(=C3)C(F)(F)F)=C(OC)C=C(NC(C)CCCN)C2=N1,"InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3",LBHLFPGPEGDCJG-UHFFFAOYSA-N
DB06609,137215-12-4,Odiparcil,investigational,,,,,,,,ZINC000031597280,CHEMBL2107763,,ODIPARCIL,,216385,[H][C@@]1(O)CS[C@@]([H])(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1",JRHNIQQUVJOPQC-AQNFWKISSA-N
DB06610,204248-78-2,Omiganan,investigational,,,,,,,,,CHEMBL1615933,,OMIGANAN PENTAHYDROCHLORIDE,,16131445,[H]N=C(N([H])[H])N([H])CCC[C@H](N([H])C(=O)[C@H](CCCN([H])C(=N[H])N([H])[H])N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CCCN([H])C(=N[H])N([H])[H])N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)[C@@H](N([H])[H])[C@@H](C)CC)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])[H],"InChI=1S/C90H127N27O12/c1-5-51(4)75(92)85(127)113-68(41-50(2)3)80(122)109-67(32-18-38-102-90(98)99)79(121)114-71(44-54-48-105-62-27-12-8-23-58(54)62)86(128)116-39-19-34-74(116)84(126)112-70(43-53-47-104-61-26-11-7-22-57(53)61)82(124)115-72(45-55-49-106-63-28-13-9-24-59(55)63)87(129)117-40-20-33-73(117)83(125)111-69(42-52-46-103-60-25-10-6-21-56(52)60)81(123)110-66(31-17-37-101-89(96)97)78(120)108-65(30-16-36-100-88(94)95)77(119)107-64(76(93)118)29-14-15-35-91/h6-13,21-28,46-51,64-75,103-106H,5,14-20,29-45,91-92H2,1-4H3,(H2,93,118)(H,107,119)(H,108,120)(H,109,122)(H,110,123)(H,111,125)(H,112,126)(H,113,127)(H,114,121)(H,115,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1",MVPAMLBUDIFYGK-BHDRXCTLSA-N
DB06611,330988-75-5,Pegsunercept,investigational,,,D05393,,,,,,,,,,,,,
DB06612,196078-29-2,Mepolizumab,"['approved', 'investigational']","['31480806', '31391853', '29751154', '26475367', '18344568']",R03DX09,D04923,1720597,,,,,,,,,,,,
DB06614,330600-85-6,Peramivir,"['approved', 'investigational']",16325932,J05AH03,,619693,,BCZ,4823,ZINC000003981610,CHEMBL139367,5024,BCX-1812,85202,154234,[H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O,"InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1",XRQDFNLINLXZLB-CKIKVBCHSA-N
DB06616,380843-75-4,Bosutinib,approved,"['23098112', '23674887']",L01XE14,D03252,1307619,,DB8,4359,ZINC000022448983,CHEMBL288441,4552,BOSUTINIB,39112,5328940,COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl,"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)",UBPYILGKFZZVDX-UHFFFAOYSA-N
DB06618,165377-43-5,Cutamesine,investigational,,,,,,,,ZINC000022012325,CHEMBL408867,50338990,,,9907323,COC1=C(OC)C=C(CCN2CCN(CCCC3=CC=CC=C3)CC2)C=C1,"InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3",UVSWWUWQVAQPJR-UHFFFAOYSA-N
DB06619,145514-04-1,Amdoxovir,investigational,,,,,,,,ZINC000003919810,CHEMBL458876,,AMDOXOVIR,,124088,NC1=NC(N)=C2N=CN([C@H]3CO[C@@H](CO)O3)C2=N1,"InChI=1S/C9H12N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5-/m1/s1",RLAHNGKRJJEIJL-RFZPGFLSSA-N
DB06620,189681-70-7,Aplindore,investigational,,,,,,,,,CHEMBL2110659,,APLINDORE,,158784,O=C1CC2=C3O[C@@H](CNCC4=CC=CC=C4)COC3=CC=C2N1,"InChI=1S/C18H18N2O3/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12/h1-7,13,19H,8-11H2,(H,20,21)/t13-/m0/s1",DYJIKHYBKVODAC-ZDUSSCGKSA-N
DB06622,25848-69-5,7-beta-Hydroxyepiandrosterone,investigational,,,,,,,,ZINC000006067655,,,,183809,9836181,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17+,18+,19+/m1/s1",VFPMCLQMAUVEHD-UCPSWNCLSA-N
DB06623,56995-20-1,Flupirtine,investigational,"['2901483', '6707137', '10996019', '11921051', '3200777']",N02BG07,D07978,25193,PA166152829,,1215,ZINC000000001473,CHEMBL255044,81199,FLUPIRTINE,94646,53276,CCOC(=O)NC1=C(N)N=C(NCC2=CC=C(F)C=C2)C=C1,"InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)",JUUFBMODXQKSTD-UHFFFAOYSA-N
DB06624,701977-09-5,Taranabant,investigational,,,,,,7DY,,ZINC000028701758,CHEMBL220360,50200841,TARANABANT,177607,11226090,C[C@H](NC(=O)C(C)(C)OC1=CC=C(C=N1)C(F)(F)F)[C@@H](CC1=CC=C(Cl)C=C1)C1=CC=CC(=C1)C#N,"InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1",QLYKJCMUNUWAGO-GAJHUEQPSA-N
DB06625,442908-10-3,Vipadenant,investigational,,,,,,9XT,,ZINC000040863182,CHEMBL447664,50254013,BIIB-014,,21874557,CC1=CC(CN2N=NC3=C(N=C(N)N=C23)C2=CC=CO2)=CC=C1N,"InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)",HQSBCDPYXDGTCL-UHFFFAOYSA-N
DB06626,319460-85-0,Axitinib,"['approved', 'investigational']","['24250243', '16027439', '18541897', '16425985', '23211371', '15215160']",L01XE17,D03218,1242999,PA164924493,AXI,4225,ZINC000003816287,CHEMBL1289926,25117,INLYTA,66910,6450551,CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1,"InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+",RITAVMQDGBJQJZ-FMIVXFBMSA-N
DB06629,186497-07-4,Zibotentan,investigational,,,,,,,,ZINC000001491485,CHEMBL1628688,50532593,ZD-4054,94573,9910224,COC1=NC(C)=CN=C1NS(=O)(=O)C1=CC=CN=C1C1=CC=C(C=C1)C1=NN=CO1,"InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)",FJHHZXWJVIEFGJ-UHFFFAOYSA-N
DB06630,875446-37-0,Anacetrapib,investigational,,,,,,,,ZINC000068087592,CHEMBL1800807,50348228,MK0859,,11556427,COC1=CC(F)=C(C=C1C1=CC=C(C=C1CN1[C@@H](C)[C@H](OC1=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C,"InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1",MZZLGJHLQGUVPN-HAWMADMCSA-N
DB06633,51036-13-6,N-chlorotaurine,investigational,,,,,,,,ZINC000005113729,CHEMBL539204,,,,108018,OS(=O)(=O)CCNCl,"InChI=1S/C2H6ClNO3S/c3-4-1-2-8(5,6)7/h4H,1-2H2,(H,5,6,7)",NMMHHSLZJLPMEG-UHFFFAOYSA-N
DB06634,414910-27-3,Casopitant,investigational,,A04AD13,,,PA166129533,,4401,ZINC000042856596,CHEMBL1672054,50336575,CASOPITANT MESILATE,135967,9917021,C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN(CC1)C(C)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1",XGGTZCKQRWXCHW-WMTVXVAQSA-N
DB06635,193153-04-7,Otamixaban,investigational,,,,,,,,ZINC000001908051,CHEMBL46618,50114539,OTAMIXABAN,,5496659,COC(=O)[C@H](CC1=CC(=CC=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=[N+]([O-])C=C1,"InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1",PFGVNLZDWRZPJW-OPAMFIHVSA-N
DB06636,742049-41-8,Isavuconazonium,"['approved', 'investigational']","['26179012', '26598096']",,D10643,1608322,,,4947,,CHEMBL1183349,,ISAVUCONAZONIUM,85978,6918606,[H]C(C)(OC(=O)N(C)C1=C(COC(=O)CNC)C=CC=N1)[N+]1=CN(C[C@](O)(C2=C(F)C=CC(F)=C2)[C@@]([H])(C)C2=NC(=CS2)C2=CC=C(C=C2)C#N)N=C1,"InChI=1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35+/m0/s1",RSWOJTICKMKTER-QXLBVTBOSA-N
DB06637,504-24-5,Dalfampridine,approved,"['21635193', '16472864', '22764324', '22497693', '22135060']",N07XX07,D04127,897018,PA166123389,,4163,ZINC000000599985,CHEMBL284348,10458,FAMPYRA,34385,1727,NC1=CC=NC=C1,"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)",NUKYPUAOHBNCPY-UHFFFAOYSA-N
DB06638,865311-47-3,Quarfloxin,investigational,,,,,,,,,CHEMBL3989407,,QUARFLOXIN,177533,11635763,CN1CCC[C@H]1CCNC(=O)C1=CN2C3=C(OC4=C2C(=CC(F)=C4N2CCC(C2)C2=CN=CC=N2)C1=O)C=C1C=CC=CC1=C3,"InChI=1S/C35H33FN6O3/c1-40-13-4-7-24(40)8-10-39-35(44)26-20-42-29-15-21-5-2-3-6-22(21)16-30(29)45-34-31(42)25(33(26)43)17-27(36)32(34)41-14-9-23(19-41)28-18-37-11-12-38-28/h2-3,5-6,11-12,15-18,20,23-24H,4,7-10,13-14,19H2,1H3,(H,39,44)/t23?,24-/m0/s1",WOQIDNWTQOYDLF-CGAIIQECSA-N
DB06640,341524-89-8,Fispemifene,investigational,,,,,,,,,CHEMBL2107341,,FISPEMIFENE,177597,9954033,OCCOCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,"InChI=1S/C26H27ClO3/c27-16-15-25(21-7-3-1-4-8-21)26(22-9-5-2-6-10-22)23-11-13-24(14-12-23)30-20-19-29-18-17-28/h1-14,28H,15-20H2/b26-25-",NKZTZAQIKKGTDB-QPLCGJKRSA-N
DB06641,157716-52-4,Perifosine,investigational,,,,,,,,,CHEMBL372764,50431630,NSC-639966,67272,148177,CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1,"InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3",SZFPYBIJACMNJV-UHFFFAOYSA-N
DB06642,959961-96-7,Bevasiranib,investigational,,,,,,,,,,,,,,,,
DB06643,615258-40-7,Denosumab,approved,23159111,M05BX04,D03684,993449,PA166048634,,,,,,,,,,,
DB06645,249921-19-5,Anamorelin,investigational,,,,,,,,ZINC000043130908,CHEMBL2110579,,ANAMORELIN HYDROCHLORIDE,,9828911,CN(C)N(C)C(=O)[C@@]1(CC2=CC=CC=C2)CCCN(C1)C(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C(C)(C)N,"InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1",VQPFSIRUEPQQPP-MXBOTTGLSA-N
DB06647,558480-40-3,Volociximab,investigational,,,,,,,,,,,,,,,,
DB06649,133865-88-0,Priralfinamide,investigational,,,,,,,,ZINC000072190123,CHEMBL2107771,161094,PRIRALFINAMIDE,,5745207,C[C@H](NCC1=CC=C(OCC2=CC=CC=C2F)C=C1)C(N)=O,"InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1",BHJIBOFHEFDSAU-LBPRGKRZSA-N
DB06650,679818-59-8,Ofatumumab,approved,"['20068404', '23226042', '17768100', '23456745', '28653357']",L01XC10,D09314,712566,,,,,,,,,,,,
DB06651,179822-83-4,DiaPep 277,investigational,,,,,,,,,,,,,16138701,[H][C@](C)(O)[C@]([H])(N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@]1([H])CCCN1C(=O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CCCNC(N)=N)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@@]([H])(N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@]([H])(CC(C)C)N=C(O)[C@@]([H])(N)C(C)C)C(C)C)C(C)C)[C@@]([H])(C)CC)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC(O)=O)C(O)=O,"InChI=1S/C106H180N28O34/c1-23-55(18)83(131-102(164)82(54(16)17)130-90(152)60(27-24-32-111-106(109)110)118-91(153)65(38-50(8)9)123-92(154)63(36-48(4)5)121-87(149)58(21)117-101(163)81(53(14)15)129-76(140)45-113-74(138)43-112-75(139)44-114-88(150)62(35-47(2)3)126-100(162)80(108)52(12)13)103(165)133-33-25-28-71(133)98(160)115-56(19)85(147)120-64(37-49(6)7)93(155)125-68(41-78(143)144)95(157)128-70(46-135)97(159)124-66(39-51(10)11)96(158)132-84(59(22)136)104(166)134-34-26-29-72(134)99(161)116-57(20)86(148)122-67(40-73(107)137)94(156)119-61(30-31-77(141)142)89(151)127-69(105(167)168)42-79(145)146/h47-72,80-84,135-136H,23-46,108H2,1-22H3,(H2,107,137)(H,112,139)(H,113,138)(H,114,150)(H,115,160)(H,116,161)(H,117,163)(H,118,153)(H,119,156)(H,120,147)(H,121,149)(H,122,148)(H,123,154)(H,124,159)(H,125,155)(H,126,162)(H,127,151)(H,128,157)(H,129,140)(H,130,152)(H,131,164)(H,132,158)(H,141,142)(H,143,144)(H,145,146)(H,167,168)(H4,109,110,111)/t55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,80-,81-,82-,83-,84-/m0/s1",VGGRNGOEDNBLPH-YJHCMWSWSA-N
DB06652,306296-47-9,Vicriviroc,investigational,"['16306033', '17827338', '17933722']",,,,,,,ZINC000022010579,CHEMBL82301,50145685,MK-4176,94843,3009355,COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1",CNPVJJQCETWNEU-CYFREDJKSA-N
DB06654,133865-89-1,Safinamide,"['approved', 'investigational']","['18549347', '20707760', '15082032', '17030737', '24136086']",N04BD03,,1922448,,,4921,ZINC000053084692,CHEMBL396778,50078694,SAFINAMIDE MESILATE,134718,131682,C[C@H](NCC1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O,"InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1",NEMGRZFTLSKBAP-LBPRGKRZSA-N
DB06655,204656-20-2,Liraglutide,approved,"['20709939', '19041364']","['A10AE56', 'A10BJ02']",D06404,475968,PA165958364,,4164,,,,,,,,,
DB06656,180300-43-0,TAS-106,investigational,11267946,,,,,,,ZINC000003813525,CHEMBL573352,,TAS 106,,176885,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@](O)(C#C)[C@H]1O,"InChI=1S/C11H13N3O5/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)/t6-,8+,9-,11-/m1/s1",JFIWEPHGRUDAJN-DYUFWOLASA-N
DB06657,92262-58-3,Valrocemide,investigational,,,,,,,,ZINC000001540787,CHEMBL471638,,,,6918293,CCCC(CCC)C(=O)NCC(N)=O,"InChI=1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)",RALGCAOVRLYSMA-UHFFFAOYSA-N
DB06659,284041-10-7,Rostaporfin,investigational,,,,,,,,,,,,,135565472,[Cl-].[Sn+4].CCOC(=O)C1=CC2=C3[N-]\C(=C/C4=N/C(=C\C5=C(CC)C(C)=C([N-]5)\C=C5/N=C2C(C)=C5CC)/C(C)=C4CC)[C@@H](C)[C@]13CC,"InChI=1S/C37H43N4O2.ClH.Sn/c1-10-23-19(6)29-17-33-25(12-3)21(8)34(40-33)26-15-27(36(42)43-14-5)37(13-4)22(9)30(41-35(26)37)18-32-24(11-2)20(7)28(39-32)16-31(23)38-29;;/h15-18,22H,10-14H2,1-9H3,(H-,38,39,40,41,42);1H;/q-1;;+4/p-2/t22-,37-;;/m1../s1",DMAHZCZCPVOYGS-ZLSDMPCXSA-L
DB06660,142001-63-6,Saredutant,investigational,,,,,,,,ZINC000003927605,CHEMBL308148,50071484,SAREDUTANT,,104974,CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)C1=CC=CC=C1)C1=CC=C(Cl)C(Cl)=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1",PGKXDIMONUAMFR-AREMUKBSSA-N
DB06662,167362-48-3,Abetimus,investigational,"['11116284', '12749759']",L04AA22,,1311600,,,,,,,,,,,,
DB06663,396091-73-9,Pasireotide,approved,12239124,H01CB05,D10147,1364105,,,4329,,CHEMBL3349607,50474236,,72312,9941444,NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1,"InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1",VMZMNAABQBOLAK-DBILLSOUSA-N
DB06666,168079-32-1,Lixivaptan,investigational,,,,,,,,ZINC000000600399,CHEMBL49429,50065115,VPA 985,,172997,CC1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)N2CC3=CC=CN3CC3=C2C=CC=C3)C(Cl)=C1,"InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)",PPHTXRNHTVLQED-UHFFFAOYSA-N
DB06669,123932-43-4,Arverapamil,investigational,,,,,,,,ZINC000013492624,,,,134082,15593907,COC1=CC=C(CCNCCC[C@@](C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC,"InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3/t26-/m1/s1",UPKQNCPKPOLASS-AREMUKBSSA-N
DB06670,603139-19-1,Odanacatib,investigational,"['24553380', '27402726', '18226527', '22228398', '20337585', '27681784', '24276460']",,,,,,,ZINC000042893657,CHEMBL481611,50255753,MK-0822,,10152654,CC(C)(F)C[C@H](N[C@@H](C1=CC=C(C=C1)C1=CC=C(C=C1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N,"InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1",FWIVDMJALNEADT-SFTDATJTSA-N
DB06673,871224-64-5,Almorexant,investigational,,,,,,,,ZINC000035953488,CHEMBL455136,50292929,ALMOREXANT,177401,23727689,CNC(=O)[C@H](N1CCC2=CC(OC)=C(OC)C=C2[C@@H]1CCC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,"InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1",DKMACHNQISHMDN-RPLLCQBOSA-N
DB06674,476181-74-5,Golimumab,approved,"['23770005', '19489653']",L04AB06,D04358,819300,,,,,,,,,,,,
DB06677,180384-56-9,Clazosentan,investigational,,,,,,,,ZINC000003939238,CHEMBL109648,50066370,CLAZOSENTAN,,6433095,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C)C=N2)N=C(N=C1OCCO)C1=CC=NC(=C1)C1=NN=NN1,"InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34)",LFWCJABOXHSRGC-UHFFFAOYSA-N
DB06678,61337-87-9,Esmirtazapine,investigational,"['19775194', '18673166']",,,,,,,ZINC000000968310,CHEMBL1366933,,ESMIRTAZAPINE MALEATE,,3085218,[H][C@]12CN(C)CCN1C1=C(CC3=CC=CC=C23)C=CC=N1,"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m1/s1",RONZAEMNMFQXRA-MRXNPFEDSA-N
DB06679,151912-11-7,Amediplase,investigational,,,,,,,,,,,,,,,,
DB06680,199396-76-4,Asoprisnil,investigational,14667995,,,,,AS0,,ZINC000003936191,CHEMBL267431,,J-867,,9577221,[H]\C(=N/O)C1=CC=C(C=C1)[C@@]1([H])C[C@@]2(C)[C@@]([H])(CC[C@]2(COC)OC)[C@]2([H])CCC3=CC(=O)CCC3=C12,"InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1",GJMNAFGEUJBOCE-MEQIQULJSA-N
DB06681,706808-37-9,Belatacept,"['approved', 'investigational']","['22151353', '22928660']",L04AA28,D03222,1112973,,,,,,,,,,,,
DB06682,163133-43-5,Naproxcinod,investigational,,M01AE18,D09568,,,,4674,ZINC000001541804,CHEMBL2103831,,AZD-3582,76254,9884642,COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(=O)OCCCCO[N+]([O-])=O,"InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1",AKFJWRDCWYYTIG-ZDUSSCGKSA-N
DB06683,163252-36-6,Clevudine,investigational,,J05AF12,,,,,4394,ZINC000000001484,CHEMBL458875,,CLEVUDINE,135964,73115,CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)NC1=O,"InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1",GBBJCSTXCAQSSJ-XQXXSGGOSA-N
DB06684,163521-12-8,Vilazodone,approved,"['23417352', '22346333', '23578403', '28875544']",N06AX24,D09698,1086769,,YG7,4223,ZINC000001542113,CHEMBL439849,50151982,VILAZODONE HYDROCHLORIDE,70707,6918314,NC(=O)C1=CC2=CC(=CC=C2O1)N1CCN(CCCCC2=CNC3=C2C=C(C=C3)C#N)CC1,"InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)",SGEGOXDYSFKCPT-UHFFFAOYSA-N
DB06685,248281-84-7,Laquinimod,investigational,"['15764719', '15465591', '18572078']",N07XX10,,,,,,ZINC000100004621,CHEMBL66092,,TV-5600,134738,54677946,CCN(C(=O)C1=C(O)C2=C(C=CC=C2Cl)N(C)C1=O)C1=CC=CC=C1,"InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3",GKWPCEFFIHSJOE-UHFFFAOYSA-N
DB06688,917381-47-6,Sipuleucel-T,"['approved', 'investigational']","['15176049', '16752945', '16736512', '21572775', '26025563']",L03AX17,D06644,997261,,,,,,,,,,,,
DB06689,2272-11-9,Ethanolamine oleate,approved,"['16132390', '13169341', '3828735', '13997698', '14869471', '17380286', '6607986', '6332769', '15416877', '10710072', '6471550', '10805844']",C05BB01,D02276,24460,PA164746758,,,,CHEMBL3989529,,ETHANOLAMINE OLEATE,178699,51371306,NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;",KGWDUNBJIMUFAP-KVVVOXFISA-N
DB06690,10024-97-2,Nitrous oxide,"['vet_approved', 'approved']",,"['N01AX63', 'N01AX13']",D00102,7486,PA450645,N2O,4238,,CHEMBL1234579,,NITROUS OXIDE,17045,948,[N-]=[N+]=O,InChI=1S/N2O/c1-2-3,GQPLMRYTRLFLPF-UHFFFAOYSA-N
DB06691,91-84-9,Mepyramine,"['vet_approved', 'approved']",,"['R06AC01', 'D04AA02']",D08183,9009,PA165817939,,2331,ZINC000019144216,CHEMBL511,22567,PYRILAMINE MALEATE,6762,4992,COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3",YECBIJXISLIIDS-UHFFFAOYSA-N
DB06692,9087-70-1,Aprotinin,"['withdrawn', 'approved', 'investigational']",15277296,B02AB01,D02971,353110,PA448472,,,,,,,,,,,
DB06693,73573-88-3,Mevastatin,experimental,,,,,,2UO,,ZINC000003833876,CHEMBL54440,50011036,,34848,64715,[H][C@]12[C@H](CCC=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC,"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1",AJLFOPYRIVGYMJ-INTXDZFKSA-N
DB06694,526-36-3,Xylometazoline,"['approved', 'investigational']","['29109644', '12073765', '8549644', '18655753', '7540314', '24642023', '21069518', '20030735']","['S01GA53', 'R01AA07', 'R01AB06', 'S01GA03']",D08684,39841,PA165958368,,3658,ZINC000000057534,CHEMBL312448,30703,XYLOMETAZOLINE HYDROCHLORIDE,10082,5709,CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C,"InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)",HUCJFAOMUPXHDK-UHFFFAOYSA-N
DB06695,211915-06-9,Dabigatran etexilate,approved,"['23239178', '20551237', '20671233', '24212379', '31164248', '17869635', '17598008', '18006647', '28580515', '33034105', '17764540', '23292752', '23408233', '31005062', '18399711']",B01AE07,D07144,1037042,PA165958369,,776,ZINC000003943279,CHEMBL539697,50432209,PRADAXA,70746,135565674,CCCCCCOC(=O)\N=C(\N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=NC=CC=C3)N2C)C=C1,"InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)",KSGXQBZTULBEEQ-UHFFFAOYSA-N
DB06696,51025-85-5,Arbekacin,"['experimental', 'investigational']","['7758395', '15620825', '14742200']",J01GB12,D07462,26397,PA165958370,84G,235,ZINC000009575047,CHEMBL426926,,ME1100,37922,68682,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1",MKKYBZZTJQGVCD-XTCKQBCOSA-N
DB06697,71963-77-4,Artemether,approved,"['19818172', '8053018', '23409819']","['P01BF01', 'P01BE02']",D02483,18343,PA165111698,D8Z,245,ZINC000014263142,CHEMBL566534,50248200,ARTEMETHER,195280,68911,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC)[C@@H]2C)O4,"InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1",SXYIRMFQILZOAM-HVNFFKDJSA-N
DB06698,5638-76-6,Betahistine,"['approved', 'investigational']","['24669323', '27327415', '26245698', '19300572', '29532287', '18236637', '4150992', '28358888']",N07CA01,D07522,1511,PA165958372,,346,ZINC000001675415,CHEMBL24441,96589,BETAHISTINE MESILATE,35677,2366,CNCCC1=CC=CC=N1,"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3",UUQMNUMQCIQDMZ-UHFFFAOYSA-N
DB06699,214766-78-6,Degarelix,approved,"['20110043', '19602868']",L02BX02,D08901,475230,PA165958373,,4379,,CHEMBL415606,50102450,FE-200486,135961,16136245,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,"InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1",MEUCPCLKGZSHTA-XYAYPHGZSA-N
DB06700,93413-62-8,Desvenlafaxine,"['approved', 'investigational']","['20797382', '20944767', '22098230', '25204465', '20926994', '19919295']",N06AX23,D07793,734064,PA165958374,,4380,,CHEMBL1118,86748,DESVENLAFAXINE,83527,125017,CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3",KYYIDSXMWOZKMP-UHFFFAOYSA-N
DB06701,40431-64-9,Dexmethylphenidate,"['approved', 'investigational']","['10628897', '19412495', '30847388', '11028253', '15082749']",N06BA11,,352372,PA10054,,836,ZINC000000896711,CHEMBL827,50062915,FOCALIN,51860,154101,[H][C@@](C(=O)OC)(C1=CC=CC=C1)[C@@]1([H])CCCCN1,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1",DUGOZIWVEXMGBE-CHWSQXEVSA-N
DB06702,286930-02-7,Fesoterodine,approved,"['21545485', '19835561']",G04BD11,D07226,797195,PA165958376,,4191,ZINC000001552908,CHEMBL1201764,,FESOTERODINE,135920,6918558,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C,"InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1",DCCSDBARQIPTGU-HSZRJFAPSA-N
DB06703,770691-21-9,Gadobutrol,approved,"['23435930', '18821778', '23011188']",V08CA09,D07420,84990,PA165958377,,,,,,,68841,70678987,OC[C@H](O)[C@H](CO)[N+]12CC[N+]3(CC([O-])=O)CC[N+]4(CC([O-])=O)CC[N+](CC([O-])=O)(CC1)[Gd-]234,"InChI=1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/m0./s1",ZPDFIIGFYAHNSK-YYLIZZNMSA-K
DB06704,80663-95-2,Iobenguane,"['approved', 'investigational']",8082671,"['V09IX01', 'V10XA02', 'V09IX02']",D04559,14448,,,,ZINC000001538318,CHEMBL818,,IOBENGUANE I 131,92769,60860,NC(N)=NCC1=CC(I)=CC=C1,"InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)",PDWUPXJEEYOOTR-UHFFFAOYSA-N
DB06705,193901-90-5,Gadofosveset trisodium,approved,"['23515949', '22488745', '22536125', '22660207', '19222207']",V08CA11,D04286,1364289,PA165958378,,,,,,,,11672461,[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)C[C@H](COP([O-])(=O)OC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)N(CC([O-])=O)CC([O-])=O,"InChI=1S/C33H44N3O14P.Gd.3Na/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;/q;+3;3*+1/p-6/t26-;;;;/m1..../s1",XGOSYNSWSRUASG-SSMZTGFVSA-H
DB06706,503-01-5,Isometheptene,approved,,A03AX10,,27946,PA165958379,,1496,,CHEMBL1697841,,ISOMETHEPTENE,134765,22297,CNC(C)CCC=C(C)C,"InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3",XVQUOJBERHHONY-UHFFFAOYSA-N
DB06707,829-74-3,Levonordefrin,approved,,,D02388,132889,PA165958380,,4482,ZINC000000034157,CHEMBL677,50223426,CORBADRINE,141146,164739,C[C@H](N)[C@H](O)C1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1",GEFQWZLICWMTKF-CDUCUWFYSA-N
DB06708,82186-77-4,Lumefantrine,approved,,P01BF01,D03821,847728,PA165111722,,1617,,CHEMBL38827,50238630,LUMEFANTRINE,156095,6437380,CCCCN(CCCC)CC(O)C1=C2C(=CC(Cl)=C1)\C(=C/C1=CC=C(Cl)C=C1)C1=C2C=CC(Cl)=C1,"InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-",DYLGFOYVTXJFJP-MYYYXRDXSA-N
DB06709,55-92-5,Methacholine,"['approved', 'investigational']","['3998816', '12611815', '29785128', '19460789', '21091801', '10335008', '14993104', '30306206', '23691511', '31183836']",V04CX03,,155080,PA165958382,,1726,,CHEMBL978,48918,METHACHOLINE CHLORIDE,6804,1993,CC(C[N+](C)(C)C)OC(C)=O,"InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1",NZWOPGCLSHLLPA-UHFFFAOYSA-N
DB06710,58-18-4,Methyltestosterone,approved,,"['G03EA01', 'G03EK01', 'G03BA02']",D00408,6904,PA165958383,,3356,ZINC000003814422,CHEMBL1395,50410531,METANDREN,27436,6010,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",GCKMFJBGXUYNAG-HLXURNFRSA-N
DB06711,835-31-4,Naphazoline,"['approved', 'investigational']","['16784007', '8276031', '8067910', '18903384']","['R01AB02', 'S01GA51', 'S01GA01', 'R01AA08']",D08253,7247,PA165958384,,3369,ZINC000000119717,CHEMBL761,50001922,ALBALON,93363,4436,C(C1=NCCN1)C1=CC=CC2=CC=CC=C12,"InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)",CNIIGCLFLJGOGP-UHFFFAOYSA-N
DB06712,75530-68-6,Nilvadipine,"['approved', 'investigational']",,C08CA10,D01908,53692,PA165958385,,1934,,CHEMBL517427,50103634,ESCOR,31911,4494,COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N,"InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3",FAIIFDPAEUKBEP-UHFFFAOYSA-N
DB06713,53016-31-2,Norelgestromin,"['approved', 'investigational']","['15966567', '11499185', '11697756']",G03AA13,D05205,326374,,,1959,ZINC000410428674,CHEMBL4791392,,,135398,62930,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO,"InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",ISHXLNHNDMZNMC-XUDSTZEESA-N
DB06714,101-40-6,Propylhexedrine,approved,,,D05637,8792,PA165958387,,2305,,CHEMBL2105275,,,134783,7558,CNC(C)CC1CCCCC1,"InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3",JCRIVQIOJSSCQD-UHFFFAOYSA-N
DB06715,7681-11-0,Potassium Iodide,approved,,"['S01XA04', 'V03AB21', 'R05CA02']",D01016,8597,PA451060,,,,CHEMBL1141,,IOSAT,8346,4875,[K+].[I-],InChI=1S/HI.K/h1H;/q;+1/p-1,NLKNQRATVPKPDG-UHFFFAOYSA-M
DB06716,258516-89-1,Fospropofol,"['illicit', 'approved', 'investigational']","['21804712', '20205488', '22584560', '12650488']",,D04257,828682,PA165958389,,3249,ZINC000002519740,CHEMBL1201766,,FOSPROPOFOL DISODIUM,135193,3038498,CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O,"InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)",QVNNONOFASOXQV-UHFFFAOYSA-N
DB06717,172673-20-0,Fosaprepitant,approved,,,D06597,1731071,PA165958390,,4470,ZINC000003939013,CHEMBL1199324,,MK-0517,64321,135413538,C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N(N2)P(O)(O)=O)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1",BARDROPHSZEBKC-OITMNORJSA-N
DB06718,10418-03-8,Stanozolol,"['vet_approved', 'approved']","['17765757', '20020362', '18447143']",A14AA02,D00444,10032,PA165958391,,2477,ZINC000004097376,CHEMBL2079587,,WINSTROL,9249,25249,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NNC=C3C[C@]12C,"InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1",LKAJKIOFIWVMDJ-IYRCEVNGSA-N
DB06719,57982-77-1,Buserelin,"['approved', 'investigational']",,L02AE01,D01831,1825,,,436,,CHEMBL2110824,,HOE-766,135907,50225,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1,"InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1",CUWODFFVMXJOKD-UVLQAERKSA-N
DB06720,884604-91-5,Velaglucerase alfa,"['approved', 'investigational']","['23430813', '20336596']",A16AB10,D09029,901805,,,,,,,,,,,,
DB06721,292618-32-7,Gimatecan,investigational,,,,,,,,ZINC000003993519,CHEMBL113051,,GIMATECAN,,9577124,[H]\C(=N/OC(C)(C)C)C1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=CC=C12,"InChI=1S/C25H25N3O5/c1-5-25(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(25)30)15(11-26-33-24(2,3)4)14-8-6-7-9-19(14)27-21/h6-11,31H,5,12-13H2,1-4H3/b26-11+/t25-/m0/s1",UIVFUQKYVFCEKJ-OPTOVBNMSA-N
DB06723,21645-51-2,Aluminum hydroxide,"['approved', 'investigational']",,"['A02AB02', 'A02AD03', 'A02AB01']",,81948,,,4250,,CHEMBL1200706,,ALHYDROGEL,33130,10176082,[OH-].[OH-].[OH-].[Al+3],InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3,WNROFYMDJYEPJX-UHFFFAOYSA-K
DB06724,471-34-1,Calcium carbonate,"['approved', 'investigational']",,"['A12AA04', 'A02AC01', 'A11GB01']",D00932,1897,PA448726,,,,CHEMBL1200539,,CALCIUM CARBONATE,3311,10112,[Ca++].[O-]C([O-])=O,"InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",VTYYLEPIZMXCLO-UHFFFAOYSA-L
DB06725,70374-39-9,Lornoxicam,"['approved', 'investigational']","['9646006', '8857077', '8706598', '8630629', '2284217', '2284216', '12879104', '8162655']",M01AC05,D01866,20890,PA165958395,,1609,ZINC000100015491,CHEMBL1569487,92331,LORNOXICAM,31783,54690031,CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O,"InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)",WLHQHAUOOXYABV-UHFFFAOYSA-N
DB06726,54340-62-4,Bufuralol,experimental,,,,,PA166110256,,424,,CHEMBL296035,21362,,34593,71733,CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C,"InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3",SSEBTPPFLLCUMN-UHFFFAOYSA-N
DB06727,90-39-1,Sparteine,experimental,,C01BA04,D01041,,PA452610,,2467,ZINC000001408502,CHEMBL1908847,,,28827,644020,[H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@]12[H],"InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1",SLRCCWJSBJZJBV-ZQDZILKHSA-N
DB06728,62-53-3,Aniline,experimental,,,,1441546,,ANL,,ZINC000017886255,CHEMBL538,92572,,17296,6115,NC1=CC=CC=C1,"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",PAYRUJLWNCNPSJ-UHFFFAOYSA-N
DB06729,526-08-9,Sulfaphenazole,approved,,"['J01ED08', 'S01AB05', 'G01AE10']",D01954,,PA130231310,,2523,ZINC000000057490,CHEMBL1109,50090677,,77780,5335,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1,"InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2",QWCJHSGMANYXCW-UHFFFAOYSA-N
DB06730,60282-87-3,Gestodene,investigational,,"['G03AA10', 'G03AB06']",,25734,PA165958397,,1291,ZINC000238809420,CHEMBL1213583,50247973,GESTODENE,135323,3033968,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C,"InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",SIGSPDASOTUPFS-XUDSTZEESA-N
DB06731,126924-38-7,Seproxetine,investigational,,,,,,405,,ZINC000000004531,CHEMBL465123,50254790,,,3058751,NCC[C@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,"InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1",WIQRCHMSJFFONW-HNNXBMFYSA-N
DB06732,6051-87-2,beta-Naphthoflavone,experimental,"['16083920', '17599282']",,,,,,,ZINC000000057645,CHEMBL26260,50028963,,77013,2361,O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1,InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H,OUGIDAPQYNCXRA-UHFFFAOYSA-N
DB06733,88899-55-2,Bafilomycin A1,experimental,,,,,,,,ZINC000169647947,CHEMBL290814,50064186,,22689,6436223,CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C,"InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1",XDHNQDDQEHDUTM-JQWOJBOSSA-N
DB06734,88899-56-3,Bafilomycin B1,experimental,,,,,,,,,,,,,6440917,CO[C@H]1\C=C/C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(\C)/C=C(OC)\C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](C)[C@H](O1)C(C)C,"InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12-,18-17+,24-13-,25-20-,34-21+/t26-,27+,28-,29-,30-,33-,35+,39-,40+,41+,42?,44+/m0/s1",KFUFLYSBMNNJTF-MZYUNMTESA-N
DB06735,15690-57-0,Enclomiphene,investigational,,,,,PA449046,53Q,,ZINC000001530601,CHEMBL954,55354,ENCLOMIPHENE CITRATE,,1548953,CCN(CC)CCOC1=CC=C(C=C1)C(=C(\Cl)C1=CC=CC=C1)\C1=CC=CC=C1,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+",GKIRPKYJQBWNGO-OCEACIFDSA-N
DB06736,89796-99-6,Aceclofenac,"['approved', 'investigational']","['26839834', '8730134', '21277837', '25045671', '8799688', '15163279', '19588436', '11511027', '23581533']","['M01AB16', 'M02AA25']",D01545,16689,PA166049185,,43,ZINC000003805798,CHEMBL93645,50109016,ACECLOFENAC,31159,71771,OC(=O)COC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl,"InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)",MNIPYSSQXLZQLJ-UHFFFAOYSA-N
DB06737,74711-43-6,Zaltoprofen,experimental,16473424,,D01547,,,,2858,,CHEMBL1765291,,ZALTOPROFEN,32306,5720,CC(C(O)=O)C1=CC=C2SC3=C(C=CC=C3)C(=O)CC2=C1,"InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)",MUXFZBHBYYYLTH-UHFFFAOYSA-N
DB06738,469-79-4,Ketobemidone,investigational,"['6114838', '7215421']","['N02AG02', 'N02AB01']",D08100,,,,1526,ZINC000000001600,CHEMBL47072,50231237,,6125,10101,CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1,"InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3",ALFGKMXHOUSVAD-UHFFFAOYSA-N
DB06739,112665-43-7,Seratrodast,experimental,,R03DX06,D01123,,,,2432,,CHEMBL70972,,,32126,2449,CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=CC=C2)=C(C)C1=O,"InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)",ZBVKEHDGYSLCCC-UHFFFAOYSA-N
DB06740,94015-46-0,BW-A 58C,experimental,,,,,,,,ZINC000005114256,CHEMBL4524847,,,,,CC(C)(C)C1CCC(CC1)C1=C(O)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C20H24O3/c1-20(2,3)13-10-8-12(9-11-13)16-17(21)14-6-4-5-7-15(14)18(22)19(16)23/h4-7,12-13,23H,8-11H2,1-3H3",NWCVRXADYNRXCT-UHFFFAOYSA-N
DB06741,153436-22-7,Gavestinel,investigational,16340185,,,,,,,ZINC000003797383,CHEMBL44793,50010475,,,6450546,OC(=O)C1=C(\C=C\C(=O)NC2=CC=CC=C2)C2=C(Cl)C=C(Cl)C=C2N1,"InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+",WZBNEZWCNKUOSM-VOTSOKGWSA-N
DB06742,18683-91-5,Ambroxol,"['approved', 'investigational']",,"['R03CC63', 'R05CB06']",,625,,,147,ZINC000100070274,CHEMBL153479,50395322,AMBROXOL,135590,,NC1=C(Br)C=C(Br)C=C1CN[C@H]1CC[C@H](O)CC1,"InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-",JBDGDEWWOUBZPM-XYPYZODXSA-N
DB06743,15291-75-5,Ginkgolide A,nutraceutical,,,,,,,,ZINC000004245650,CHEMBL465161,50292287,,,9909368,C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O,"InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1",FPUXKXIZEIDQKW-VKMVSBOZSA-N
DB06744,,ginkgolide-B,nutraceutical,15910800,,,,,,,ZINC000008552017,CHEMBL514432,50251276,,,6324617,C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O,"InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1",SQOJOAFXDQDRGF-MMQTXUMRSA-N
DB06745,15291-76-6,ginkgolide-C,nutraceutical,,,,,,,,ZINC000028536264,CHEMBL4765159,,,,9867869,C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O,"InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1",AMOGMTLMADGEOQ-DTDWCABLSA-N
DB06746,107438-79-9,ginkgolide-J,nutraceutical,,,,,,,,ZINC000008552018,,,,,11154476,C[C@@H]1C(=O)O[C@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O,"InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-,15+,17-,18+,19-,20-/m1/s1",LMEHVEUFNRJAAV-UKWFQYJJSA-N
DB06747,15291-78-8,ginkgolide-M,nutraceutical,,,,,,,,,,,,,46937025,C[C@H]1C2[C@@H](OC1=O)[C@H](O)[C@]13[C@@H]4OC(=O)[C@]21O[C@@H]1OC(=O)[C@H](O)[C@]31[C@@H]([C@H]4O)C(C)(C)C,"InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6?,7+,8+,9-,10-,11-,12+,16-,18-,19+,20+/m0/s1",KDKROYXEHCYLJQ-FJFAJXJPSA-N
DB06748,11021-13-9,Ginsenoside C,nutraceutical,,,,,,,,,CHEMBL449303,50450908,,77152,6917976,[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1",NODILNFGTFIURN-GZPRDHCNSA-N
DB06749,41753-43-9,Ginsenoside Rb1,nutraceutical,,,,,,,,,CHEMBL501515,50317541,,67989,9898279,[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1",GZYPWOGIYAIIPV-JBDTYSNRSA-N
DB06750,22427-39-0,Ginsenoside Rg1,nutraceutical,,,,,,,,ZINC000238809655,CHEMBL501637,,,67987,441923,CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1",YURJSTAIMNSZAE-HHNZYBFYSA-N
DB06751,14009-24-6,Drotaverine,"['approved', 'investigational']","['754481', '26185766', '27879007', '25434320', '19644697', '7398679', '8980918']",A03AD02,,23684,PA165958398,,969,ZINC000100011979,CHEMBL551978,50237620,DROTAVERINE,135630,1712095,CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1,"InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-",OMFNSKIUKYOYRG-MOSHPQCFSA-N
DB06752,9001-09-6,Chymopapain,"['withdrawn', 'approved']","['3729572', '15815870', '20424870', '13888995', '6376060']",M09AB01,,2525,,,,,,,,,,,,
DB06753,306-52-5,Triclofos,"['withdrawn', 'approved']",,N05CM07,D08634,38610,,,2735,ZINC000003831574,CHEMBL1201317,,TRICLOFOS SODIUM,9695,5563,OP(O)(=O)OCC(Cl)(Cl)Cl,"InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)",YYQRGCZGSFRBAM-UHFFFAOYSA-N
DB06754,308068-55-5,Danaparoid,"['withdrawn', 'approved']","['9421696', '12381232', '12890149']",B01AB09,,78484,,,,,,,,,,,,
DB06755,7235-40-7,Beta carotene,"['approved', 'nutraceutical']","['7661123', '900968', '12395217']","['A11CA02', 'D02BB01']",D03101,19143,,BCR,345,ZINC000006845076,CHEMBL1293,54988,.BETA.-CAROTENE,17579,5280489,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",OENHQHLEOONYIE-JLTXGRSLSA-N
DB06756,107-43-7,Betaine,"['approved', 'nutraceutical']","['19261122', '24323041']","['A09AB02', 'A16AA06']",D07523,1512,,,,,CHEMBL1182,50103520,,17750,247,C[N+](C)(C)CC([O-])=O,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",KWIUHFFTVRNATP-UHFFFAOYSA-N
DB06757,7439-96-5,Manganese,"['approved', 'nutraceutical']",17469137,,D04854,6623,,MN,,,,,,29035,27854,[Mn++],InChI=1S/Mn/q+2,WAEMQWOKJMHJLA-UHFFFAOYSA-N
DB06759,144245-52-3,Fomivirsen,"['withdrawn', 'approved', 'investigational']","['11497353', '11978144', '12610136', '10611727', '11160686']",S01AD08,D02736,85763,,,,,,,,,,,,
DB06760,85897-35-4,Sacrosidase,approved,9932843,A16AB06,D05782,214817,,,,,,,,,,,,
DB06761,108778-82-1,Beractant,approved,"['25997942', '15985754', '23809343']",,D03096,46967,,,,,,,,,,,,
DB06762,60560-33-0,Pinacidil,approved,"['6510455', '3076134', '2588385']","['C02DG01', 'C02LX01']",,33717,,,2173,,CHEMBL1159,50103517,,91706,4826,CC(N\C(NC#N)=N\C1=CC=NC=C1)C(C)(C)C,"InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)",IVVNZDGDKPTYHK-UHFFFAOYSA-N
DB06763,34273-10-4,Saralasin,investigational,,,,9556,,,3542,ZINC000169289386,CHEMBL938,50009338,,135894,6324663,[H]N([H])C(=NCCC[C@H](N([H])C(=O)CN([H])C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](CC1=CN=CN1[H])C(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](C)C(O)=O)N([H])[H],"InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1",PFGWGEPQIUAZME-NXSMLHPHSA-N
DB06764,84-22-0,Tetryzoline,approved,"['21972870', '7507588', '12882493', '10389957', '22554870', '21069518', '32801982', '18259967']","['S01GA02', 'R01AB03', 'R01AA06', 'S01GA52']",D08578,37935,,,3591,,CHEMBL1266,96559,TYZINE,28674,5419,C1CN=C(N1)C1CCCC2=CC=CC=C12,"InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)",BYJAVTDNIXVSPW-UHFFFAOYSA-N
DB06766,147084-10-4,Alcaftadine,approved,"['22811343', '22035879', '21752782']",S01GX11,D06552,1000082,PA165958399,,4165,ZINC000011726211,CHEMBL1201747,,LASTACAFT,71023,19371515,CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12,"InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3",MWTBKTRZPHJQLH-UHFFFAOYSA-N
DB06767,12125-02-9,Ammonium chloride,"['vet_approved', 'approved', 'investigational']",,"['B05XA04', 'G04BA01']",D01139,712,PA448392,,,,CHEMBL1200939,,AMMONIUM CHLORIDE,31206,21924987,[NH4+].[Cl-],InChI=1S/ClH.H3N/h1H;1H3,NLXLAEXVIDQMFP-UHFFFAOYSA-N
DB06768,515-98-0,Ammonium lactate,approved,,,D02920,215247,PA165958400,,,,CHEMBL1200747,,LAC-HYDRIN,,10129918,[NH4+].CC(O)C([O-])=O,"InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3",RZOBLYBZQXQGFY-UHFFFAOYSA-N
DB06769,16506-27-7,Bendamustine,"['approved', 'investigational']","['17726779', '20110042', '17599772', '16957931', '25829094']",L01AA09,D07085,134547,,,302,ZINC000004214955,CHEMBL487253,173621,BENDEKA,135515,65628,CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl,"InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)",YTKUWDBFDASYHO-UHFFFAOYSA-N
DB06770,100-51-6,Benzyl alcohol,approved,"['22366290', '4560999', '20199404']",P03AX06,D00077,1426,PA448594,010,334,ZINC000000895302,CHEMBL720,,ULESFIA,17987,244,OCC1=CC=CC=C1,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",WVDDGKGOMKODPV-UHFFFAOYSA-N
DB06771,141388-76-3,Besifloxacin,approved,"['22729919', '19492955']",S01AE08,D08872,819911,,,4111,ZINC000003787097,CHEMBL1201760,,BESIVANCE,135622,10178705,N[C@@H]1CCCCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O,"InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1",QFFGVLORLPOAEC-SNVBAGLBSA-N
DB06772,183133-96-2,Cabazitaxel,approved,"['20811375', '23091336', '23542607']",L01CD04,D09755,996051,PA165958401,,4153,ZINC000085536932,CHEMBL1201748,,CABAZITAXEL,63584,9854073,[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C,"InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1",BMQGVNUXMIRLCK-OAGWZNDDSA-N
DB06773,21215-62-3,Human calcitonin,"['approved', 'investigational']","['16006528', '1483490', '8454613', '28255281', '5563336', '3503547', '15741694', '1335402', '2833122', '1164607']",H05BA03,,235481,,,4427,,,,,,,,,
DB06774,404-86-4,Capsaicin,approved,"['23023032', '21158551', '21852280', '17959343']","['N01BX04', 'M02AB01']",D00250,1992,,4DY,3064,ZINC000001530575,CHEMBL294199,20461,ALGRX-4975,3374,1548943,COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+",YKPUWZUDDOIDPM-SOFGYWHQSA-N
DB06775,1188-38-1,Carglumic acid,approved,"['15480384', '21941437', '20410539', '12447942']",A16AA05,D07130,401713,PA165958402,,3068,ZINC000001530283,CHEMBL1201780,,CARGLUMIC ACID,71028,121396,NC(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1",LCQLHJZYVOQKHU-VKHMYHEASA-N
DB06776,9038-41-9,Sodium cellulose phosphate,approved,3896714,V03AG01,,342965,,,,,,,,,,,,
DB06777,474-25-9,Chenodeoxycholic acid,approved,,A05AA01,D00163,2323,PA165958403,JN3,4361,ZINC000003914808,CHEMBL240597,21674,CHENODEOXYCHOLIC ACID,16755,10133,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD-BSWAIDMHSA-N
DB06778,7758-98-7,Cupric sulfate,approved,"['8253299', '12893385', '10382557', '15935409', '15080347']",V03AB20,,21579,,,,,,,,23414,24462,[Cu++].[O-]S([O-])(=O)=O,"InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",ARUVKPQLZAKDPS-UHFFFAOYSA-L
DB06779,9005-49-6,Dalteparin,approved,"['11044537', '16757417', '19175499', '11011804', '17166617', '8707165', '3744129', '6367579', '2559484', '6997743', '2557219', '2158151', '12655212']",B01AB04,D03353,67109,,,,,,,,,,,,
DB06780,56-47-3,Desoxycorticosterone acetate,approved,,,D03698,258333,,,821,ZINC000004428527,CHEMBL1200542,,,34671,5952,[H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1",VPGRYOFKCNULNK-ACXQXYJUSA-N
DB06781,23674-86-4,Difluprednate,approved,"['19101421', '2666872', '19668594']",D07AC19,D01266,23043,PA165958405,,3142,ZINC000004212945,CHEMBL1201749,,DIFLUPREDNATE,31485,443936,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1",WYQPLTPSGFELIB-JTQPXKBDSA-N
DB06782,59-52-9,Dimercaprol,approved,"['19596747', '14754439', '20003760', '20717537']",V03AB09,D00167,3445,PA165958406,,3150,,CHEMBL1597,50103608,DIMERCAPROL,64198,3080,OCC(S)CS,"InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2",WQABCVAJNWAXTE-UHFFFAOYSA-N
DB06783,14038-43-8,Prussian blue,approved,"['8045465', '28344255', '14579545', '9120885', '8254698', '11714209', '15252192']",V03AB31,,24902,,,,,,,,30069,,[Fe+3].[Fe+3].[Fe+3].[Fe+3].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,InChI=1S/18CN.7Fe/c18*1-2;;;;;;;/q;;;;;;;;;;;;;;;;;;3*-4;4*+3,DNMNDNSFJMUUFM-UHFFFAOYSA-N
DB06784,41183-64-6,Gallium citrate Ga-67,approved,6988551,,,272758,,,,,,,,31645,65430,[67Ga+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/C6H8O7.Ga/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3/i;1-3",YEEGWNXDUZONAA-RYDPDVNUSA-K
DB06785,124904-93-4,Ganirelix,approved,"['10655292', '23091989']",H01CC01,D08010,35825,,,1279,,CHEMBL1251,50102454,GANIRELIX ACETATE,135910,16130957,CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,"InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1",GJNXBNATEDXMAK-PFLSVRRQSA-N
DB06786,3093-35-4,Halcinonide,"['withdrawn', 'approved', 'investigational']","['25607913', '26658258', '3522448']",D07AD02,D01308,5084,,,4507,ZINC000004213474,CHEMBL1200845,50240097,HALCINONIDE,31663,443943,[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",MUQNGPZZQDCDFT-JNQJZLCISA-N
DB06787,6004-98-4,Hexocyclium,approved,"['21951', '13487546', '8075869']",A03AB10,,26867,,,1371,,CHEMBL1201325,81959,,5707,24199,C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1,"InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1",ZRYHPQCHHOKSMD-UHFFFAOYSA-N
DB06788,76712-82-8,Histrelin,approved,"['19920916', '21851539', '20735905']",L02AE05,D02369,50975,,,2975,,,,,63530,56927879,CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1,"InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;;/m0../s1",BKEMVGVBBDMHKL-VYFXDUNUSA-N
DB06789,630-56-8,Hydroxyprogesterone caproate,"['approved', 'investigational']","['26788788', '25256193', '25113944', '26558340']",,D00949,12488,,,4189,ZINC000004083606,CHEMBL1200848,70293,PROLUTON DEPOT,5812,169870,[H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1",DOMWKUIIPQCAJU-LJHIYBGHSA-N
DB06791,108736-35-2,Lanreotide,approved,"['26614375', '19071884', '25060168', '25307803']",H01CB03,D04666,68092,,,1546,,,,,,71349,[H]N([H])CCCCC1N([H])C(=O)C(CC2=CN([H])C3=CC=CC=C23)N([H])C(=O)C(CC2=CC=C(O)C=C2)N([H])C(=O)C(CSSCC(N([H])C(=O)C(N([H])C1=O)C(C)C)C(=O)N([H])C(C(C)O)C(=O)N([H])[H])N([H])C(=O)C(CC1=CC2=CC=CC=C2C=C1)N([H])[H],"InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)",PUDHBTGHUJUUFI-UHFFFAOYSA-N
DB06792,587-26-8,Lanthanum carbonate,approved,,V03AE03,,1311070,,,,,,,,,168924,[La+3].[La+3].[O-]C([O-])=O.[O-]C([O-])=O.[O-]C([O-])=O,"InChI=1S/3CH2O3.2La/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",NZPIUJUFIFZSPW-UHFFFAOYSA-H
DB06793,2338-37-6,Levopropoxyphene,withdrawn,"['24671376', '12943851']",,,6377,,,1573,ZINC000001530767,CHEMBL1738990,,LEVOPROPOXYPHENE NAPSYLATE,51174,200742,[H][C@](C)(CN(C)C)[C@@](CC1=CC=CC=C1)(OC(=O)CC)C1=CC=CC=C1,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m0/s1",XLMALTXPSGQGBX-PGRDOPGGSA-N
DB06794,53882-12-5,Lodoxamide,approved,"['21465936', '10890862', '8740338']",S01GX05,D04762,52151,,,3325,ZINC000002000707,CHEMBL1201266,50259889,,135333,44564,OC(=O)C(=O)NC1=CC(=CC(NC(=O)C(O)=O)=C1Cl)C#N,"InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)",RVGLGHVJXCETIO-UHFFFAOYSA-N
DB06795,138-39-6,Mafenide,"['vet_approved', 'approved']",22396671,"['G01AE10', 'D06BA03']",D02351,6572,,6LH,1624,ZINC000000001644,CHEMBL419,10860,SULFAMYLON,6633,3998,NCC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)",TYMRLRRVMHJFTF-UHFFFAOYSA-N
DB06796,155319-91-8,Mangafodipir,"['withdrawn', 'approved', 'investigational']","['9626883', '16941248', '19834427', '9245964', '9571956', '16570354', '9245963']",V08CA05,,236987,,,,,,,,,76967443,[Mn++].CC1=C(O)C(CN(CCN(CC([O-])=O)CC2=CC(COP(O)(O)=O)=NC(C)=C2O)CC([O-])=O)=CC(COP(O)(O)=O)=N1,"InChI=1S/C22H32N4O14P2.Mn/c1-13-21(31)15(5-17(23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-16-6-18(12-40-42(36,37)38)24-14(2)22(16)32;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);/q;+2/p-2",CXFKOLCMCRBYPL-UHFFFAOYSA-L
DB06797,64-55-1,Mebutamate,approved,6037393,N05BC04,D01807,,,,1644,,CHEMBL1200922,,,31804,6151,CCC(C)C(C)(COC(N)=O)COC(N)=O,"InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)",LEROTMJVBFSIMP-UHFFFAOYSA-N
DB06799,100-97-0,Methenamine,"['vet_approved', 'approved']",24689705,J01XX05,D00393,6832,,,3344,ZINC000086040406,CHEMBL1201270,,UROTROPIN,6824,4101,C1N2CN3CN1CN(C2)C3,InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2,VKYKSIONXSXAKP-UHFFFAOYSA-N
DB06800,916055-93-1,Methylnaltrexone,approved,"['21836816', '17981003', '21222554', '20053817']",A06AH01,D06618,29899,,,,ZINC000245204949,,,,,16089915,C[N@+]1(CC2CC2)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35,"InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22-/m1/s1",JVLBPIPGETUEET-WIXLDOGYSA-O
DB06801,502-54-5,Monoctanoin,experimental,,,,30198,,,3364,,CHEMBL1570482,,,84309,3033877,CCCCCCCC(=O)OCC(O)CO,"InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3",GHBFNMLVSPCDGN-UHFFFAOYSA-N
DB06802,78281-72-8,Nepafenac,"['approved', 'investigational']","['10850857', '17189793', '17720067', '18655957', '10850858']",S01BC10,D05143,298665,PA165958407,,1899,ZINC000005162311,CHEMBL1021,50228731,NEVANAC,75922,151075,NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N,"InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)",QEFAQIPZVLVERP-UHFFFAOYSA-N
DB06803,50-65-7,Niclosamide,"['vet_approved', 'approved', 'investigational']",,P02DA01,D00436,7402,PA165958408,,1912,ZINC000003874496,CHEMBL1448,513089,NICLOSAMIDE,7553,4477,OC1=C(C=C(Cl)C=C1)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O,"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)",RJMUSRYZPJIFPJ-UHFFFAOYSA-N
DB06804,26027-38-3,Nonoxynol-9,"['withdrawn', 'approved']",19117251,,D06490,53750,PA450648,,,ZINC000008214629,CHEMBL1410,50442874,NONOXYNOL-9,53775,72385,CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1,"InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3",FBWNMEQMRUMQSO-UHFFFAOYSA-N
DB06807,133-11-9,Phenyl aminosalicylate,approved,,,,,,,2143,ZINC000000119905,CHEMBL1200868,,,114203,8609,NC1=CC(O)=C(C=C1)C(=O)OC1=CC=CC=C1,"InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2",DNVVZWSVACQWJE-UHFFFAOYSA-N
DB06809,110078-46-1,Plerixafor,approved,"['18922110', '19363221', '20530974', '19135941', '18847313', '21861545', '20009003']",L03AX16,D08971,733003,PA165958410,,4410,ZINC000022443609,CHEMBL18442,50035696,PLERIXAFOR,125354,65015,C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1,"InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2",YIQPUIGJQJDJOS-UHFFFAOYSA-N
DB06810,18378-89-7,Plicamycin,"['withdrawn', 'approved', 'investigational']",9917296,L01DC02,D00468,6995,PA165958411,QWP,2223,,CHEMBL257619,,,31856,163659,CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O,"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1",CFCUWKMKBJTWLW-BKHRDMLASA-N
DB06811,9002-92-0,Polidocanol,approved,"['21605244', '22620717']",C05BB02,D01993,968170,,CE9,,ZINC000008214662,CHEMBL1231723,,VARITHENA,46859,656641,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3",ONJQDTZCDSESIW-UHFFFAOYSA-N
DB06812,25655-41-8,Povidone-iodine,approved,28648795,"['D08AG02', 'D09AA09', 'D11AC06', 'G01AX11', 'S01AX18', 'R02AA15']",D00863,8611,,,,,,,,,,,,
DB06813,146464-95-1,Pralatrexate,"['approved', 'investigational']","['22921318', '23032692', '23409799']",L01BA05,D05589,662019,,,4117,,CHEMBL1201746,50457437,FOLOTYN,71223,148121,NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1,"InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1",OGSBUKJUDHAQEA-WMCAAGNKSA-N
DB06814,136-70-9,Protokylol,"['vet_approved', 'approved']",,,,,,,2318,,CHEMBL1201273,,,135413,4969,CC(CC1=CC=C2OCOC2=C1)NCC(O)C1=CC=C(O)C(O)=C1,"InChI=1S/C18H21NO5/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3",LUMAEVHDZXIGEP-UHFFFAOYSA-N
DB06815,1121-31-9,Pyrithione,approved,"['28183164', '21947398', '16382685', '26885780', '21919897']",D11AX12,,35100,,,,ZINC000000156822,CHEMBL1356238,50366038,,36584,,[O-][N+]1=C(S)C=CC=C1,"InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H",FGVVTMRZYROCTH-UHFFFAOYSA-N
DB06816,7187-62-4,Pyrvinium,approved,"['25003333', '23061049']",P02CX01,,35163,,,,ZINC000003831401,CHEMBL1201303,,PYRVINIUM,8687,5281035,CN(C)C1=CC2=C(C=C1)[N+](C)=C(\C=C\C1=C(C)N(C(C)=C1)C1=CC=CC=C1)C=C2,"InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1",QMHSXPLYMTVAMK-UHFFFAOYSA-N
DB06817,518048-05-0,Raltegravir,approved,"['24145879', '17096488', '17447316', '17447317', '23664333', '16863445', '23856784', '17569171', '17019786', '17133211', '17434380', '17506141', '23836466']","['J05AX08', 'J05AR16']",D06676,719872,,RLT,2352,ZINC000013831130,CHEMBL254316,25351,RALTEGRAVIR POTASSIUM,82960,54671008,CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1,"InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)",CZFFBEXEKNGXKS-UHFFFAOYSA-N
DB06819,1821-12-1,Phenylbutyric acid,"['approved', 'investigational']",,A16AX03,D05868,1546447,,CLT,24,ZINC000000056568,CHEMBL1469,50480960,NSC-657802,41500,4775,OC(=O)CCCC1=CC=CC=C1,"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)",OBKXEAXTFZPCHS-UHFFFAOYSA-N
DB06820,61318-90-9,Sulconazole,approved,"['3171926', '945306']",D01AC09,D08535,37319,,,2495,,CHEMBL1221,31770,EXELDERM,77776,5318,ClC1=CC=C(CSC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2",AFNXATANNDIXLG-UHFFFAOYSA-N
DB06821,651-06-9,Sulfameter,approved,,"['J01ED04', 'G01AE10']",D02517,,,,2511,ZINC000000049142,CHEMBL1200359,,SULLA,53727,5326,COC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1,"InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",GPTONYMQFTZPKC-UHFFFAOYSA-N
DB06822,9041-08-1,Tinzaparin,approved,"['11011803', '7528134', '9278462', '11556655', '11234669', '14640933', '10348714', '11849226', '20568836', '15212562']",B01AB10,D06398,104466,,,,,,,,,,,,
DB06823,1953-02-2,Tiopronin,"['approved', 'investigational']","['3534301', '1505618', '8569983', '7836789', '15865542', '11494716', '25026975', '1233187', '24857648', '8405034', '20559104']",G04BX16,D01430,6765,,,2676,,CHEMBL1314,50020805,THIOLA,32229,5483,CC(S)C(=O)NCC(O)=O,"InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)",YTGJWQPHMWSCST-UHFFFAOYSA-N
DB06824,112-24-3,Triethylenetetramine,"['approved', 'investigational']","['20660601', '20221822', '22340672', '20145262', '19602718', '21770477', '17108057']",A16AX12,,10798,,104,2738,ZINC000019364225,CHEMBL609,50323751,TRIENTINE TETRAHYDROCHLORIDE,39501,5565,NCCNCCNCCN,"InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2",VILCJCGEZXAXTO-UHFFFAOYSA-N
DB06825,57773-63-4,Triptorelin,"['vet_approved', 'approved']","['10969915', '15955640']",L02AE04,D06247,38782,,,2968,,CHEMBL1201334,,AY-25650,63633,25074470,CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,"InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1",VXKHXGOKWPXYNA-PGBVPBMZSA-N
DB06826,120373-36-6,Unoprostone,"['approved', 'investigational']",,S01EE02,,1546408,,,,ZINC000008214703,CHEMBL1201407,,UNOPROSTONE,39455,5311236,CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,"InChI=1S/C22H38O5/c1-2-3-4-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27/h6,9,18-21,24-25H,2-5,7-8,10-16H2,1H3,(H,26,27)/b9-6-/t18-,19-,20+,21-/m1/s1",TVHAZVBUYQMHBC-SNHXEXRGSA-N
DB06827,32988-50-4,Viomycin,approved,4350196,,,,,,2830,ZINC000049799668,CHEMBL3085436,,,15782,3037981,[H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O,"InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1",GXFAIFRPOKBQRV-GHXCTMGLSA-N
DB06828,,5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole,experimental,,,,,,00G,,ZINC000039257800,,,,,44129621,C(CN1C=CC=C1)OC1=CC2=C(NC=C2)C=C1,"InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2",NSZDJRLPCLOQAM-UHFFFAOYSA-N
DB06829,,4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,024,,ZINC000016052432,CHEMBL243940,50219597,,,17759780,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NC2CCCCC2)=C1)C(O)=O,"InChI=1S/C19H20BrNO5S/c20-15-16(26-10-14(22)23)18(19(24)25)27-17(15)11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h4-5,8-9,12,21H,1-3,6-7,10H2,(H,22,23)(H,24,25)",RXDVFLTWXCTCEX-UHFFFAOYSA-N
DB06830,,"(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)",experimental,,,,,,028,,ZINC000024951879,CHEMBL55264,25298,,,5276520,CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)",IJEGNOYPWRBKAE-UHFFFAOYSA-N
DB06831,,2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE,experimental,,,,,,039,,ZINC000016052698,CHEMBL1213083,50323727,,,6852165,COC1=CC=CC=C1N1C(=O)C2=C(Cl)C=CC=C2N=C1CSC1=C2N=CNC2=NC=N1,"InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)",UMMYTDJYDSTEMB-UHFFFAOYSA-N
DB06832,524684-52-4,Prinaberel,investigational,,,,,,041,,ZINC000003817763,CHEMBL450940,50154055,ERB-041,,656954,OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1,"InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2",MQIMZDXIAHJKQP-UHFFFAOYSA-N
DB06833,,1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE,experimental,,,,,,047,,ZINC000014978636,CHEMBL478524,22420,,,16122612,CC1=CC=C(C=C1)N1C=C(CNCC2CCCCC2)C2=CC=CC=C12,"InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3",MMIJMYOYKAKQPN-UHFFFAOYSA-N
DB06834,,"N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide",experimental,,,,,,057,,ZINC000034055334,CHEMBL1229525,50396077,,,9968957,CN1C=C(C2=CC3=CC=CN=C3N2)C2=CC(=CC=C12)C(=O)NC(C)(C)CO,"InChI=1S/C21H22N4O2/c1-21(2,12-26)24-20(27)14-6-7-18-15(9-14)16(11-25(18)3)17-10-13-5-4-8-22-19(13)23-17/h4-11,26H,12H2,1-3H3,(H,22,23)(H,24,27)",XZRYCTLOGNCQDG-UHFFFAOYSA-N
DB06835,,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID,experimental,,,,,,059,,ZINC000016052379,,,,,23653507,[H][C@@](C[P@@](O)(=O)[C@@]([H])(NS(=O)(=O)CCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC=CC(CN)=C1,"InChI=1S/C22H31N2O6PS/c1-16(2)21(24-32(29,30)12-11-17-7-4-3-5-8-17)31(27,28)15-20(22(25)26)19-10-6-9-18(13-19)14-23/h3-10,13,16,20-21,24H,11-12,14-15,23H2,1-2H3,(H,25,26)(H,27,28)/t20-,21+/m0/s1",CTQDLSDUHUFBQW-LEWJYISDSA-N
DB06836,593960-11-3,"N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide",experimental,,,,,,093,,ZINC000003817546,CHEMBL1229535,50042924,,,6852167,[H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O,"InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)",JFVNFXCESCXMBC-UHFFFAOYSA-N
DB06837,,"(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide",experimental,,,,,,099,,ZINC000013436282,CHEMBL8943,50104965,,,11143173,[H][C@](CC(=O)NO)(CC1=CC(O)=CC=C1)C(=O)N[C@@]1([H])C2=C(C[C@@]1([H])O)C=CC=C2,"InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1",VXDKQRWTOJFQKH-BJZITVGISA-N
DB06838,2577-90-4,methyl L-phenylalaninate,experimental,,,,,,0A9,,ZINC000019419113,CHEMBL51969,,,49339,736234,COC(=O)[C@@H](N)CC1=CC=CC=C1,"InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1",VSDUZFOSJDMAFZ-VIFPVBQESA-N
DB06839,,N-(ethoxycarbonyl)-L-leucine,experimental,,,,,,0AG,,,,,,,10631973,[H][C@@](CC(C)C)(NC(=O)OCC)C(O)=O,"InChI=1S/C9H17NO4/c1-4-14-9(13)10-7(8(11)12)5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)/t7-/m0/s1",WJYLMMNPQWEDQG-ZETCQYMHSA-N
DB06840,,"diethyl [(1R)-1,5-diaminopentyl]boronate",experimental,,,,,,0AY,,ZINC000169748490,,,,,46937028,[H][C@](N)(CCCCN)B(OCC)OCC,"InChI=1S/C9H23BN2O2/c1-3-13-10(14-4-2)9(12)7-5-6-8-11/h9H,3-8,11-12H2,1-2H3/t9-/m0/s1",FYUGRVWDCBMIQX-VIFPVBQESA-N
DB06841,,"[(2R)-1-[(2S)-2-[[(2S,3S)-1-Chloro-6-(diaminomethylideneamino)-2-hydroxyhexan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium",experimental,,,,,,0G6,,,,,,,131704300,NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1=CC=CC=C1)[C@H](O)CCl,"InChI=1S/C21H33ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-18,29H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/p+1/t15-,16+,17+,18-/m1/s1",DVFLYEYCMMLBTQ-VSZNYVQBSA-O
DB06842,,(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one,experimental,,,,,,0MO,,ZINC000002011308,CHEMBL1229585,50532273,,,6603746,[H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1,"InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1",PDMUULPVBYQBBK-GFCCVEGCSA-N
DB06843,,"2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE",experimental,,,,,,103,,,,,,,444894,[H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,"InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1",NFGZMOICZSFFLB-DSYKOEDSSA-N
DB06844,,"4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE",experimental,,,,,,107,,ZINC000003870987,,,,,1712,O=C1N=C2C=CC3=C(SC=N3)C2=C1CNC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1,"InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-10,12,23H,11H2,(H,22,26)",MBXKBJLIESPLIK-UHFFFAOYSA-N
DB06845,,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide,experimental,,,,,,10U,,ZINC000013165429,,,,,23629654,[H][C@]1(CCCN1C(=O)CNC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C20H29N5O2/c21-19(22)15-9-7-14(8-10-15)12-24-20(27)17-6-3-11-25(17)18(26)13-23-16-4-1-2-5-16/h7-10,16-17,23H,1-6,11-13H2,(H3,21,22)(H,24,27)/t17-/m0/s1",WXYKSWZWRHMJTE-KRWDZBQOSA-N
DB06847,,"5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",experimental,,,,,,11F,,ZINC000034633889,CHEMBL573306,50298837,,,25195365,[H][C@@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=C(C=C1)C1=CC=CC=C1,"InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)/t14-/m1/s1",YYCPXVRHQUEVAW-CQSZACIVSA-N
DB06848,,"1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine",experimental,,,,,,11M,,ZINC000039023028,,,,,25113123,CSC1=C2C=CC=CC2=C(S1)C(=O)N1CCC2(COC3=C2C=C(CN)C=C3)CC1,"InChI=1S/C23H24N2O2S2/c1-28-22-17-5-3-2-4-16(17)20(29-22)21(26)25-10-8-23(9-11-25)14-27-19-7-6-15(13-24)12-18(19)23/h2-7,12H,8-11,13-14,24H2,1H3",VCUDZTCDUDDJGG-UHFFFAOYSA-N
DB06849,,"1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine",experimental,,,,,,11N,,ZINC000039023241,,,,,25113124,NCC1=CC2=C(OCC22CCN(CC2)C(=O)\C=C\C2=CC=CC=C2)C=C1,"InChI=1S/C22H24N2O2/c23-15-18-6-8-20-19(14-18)22(16-26-20)10-12-24(13-11-22)21(25)9-7-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16,23H2/b9-7+",RQWYWHUKHYFIPB-VQHVLOKHSA-N
DB06850,,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide,experimental,,,,,,11U,,ZINC000039035255,,,,,44141860,[H][C@]1(CCCN1C(=O)CNC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C21H31N5O2/c22-20(23)16-10-8-15(9-11-16)13-25-21(28)18-7-4-12-26(18)19(27)14-24-17-5-2-1-3-6-17/h8-11,17-18,24H,1-7,12-14H2,(H3,22,23)(H,25,28)/t18-/m0/s1",RYKFVFFOIYLADT-SFHVURJKSA-N
DB06851,,N-(pyridin-3-ylmethyl)aniline,experimental,,,,,,11X,,ZINC000000798246,CHEMBL264669,50294172,,,1082702,C(NC1=CC=CC=C1)C1=CC=CN=C1,"InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2",BJXLHKJBRORJJJ-UHFFFAOYSA-N
DB06852,405168-58-3,CHIR-124,experimental,,,,,,12C,,ZINC000033295958,CHEMBL377312,50185219,,,135399748,ClC1=CC2=C(NC(=O)C(C3=NC4=CC=CC=C4N3)=C2N[C@@H]2CN3CCC2CC3)C=C1,"InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1",MOVBBVMDHIRCTG-LJQANCHMSA-N
DB06853,,N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,experimental,,,,,,12U,,ZINC000039024438,,,,,25113614,[H][C@]1(CCCN1C(=O)CNC1CCCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C22H33N5O2/c23-21(24)17-11-9-16(10-12-17)14-26-22(29)19-8-5-13-27(19)20(28)15-25-18-6-3-1-2-4-7-18/h9-12,18-19,25H,1-8,13-15H2,(H3,23,24)(H,26,29)/t19-/m0/s1",BYTJPDBCLWUEBU-IBGZPJMESA-N
DB06855,,6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine,experimental,,,,,,950,,ZINC000005882036,CHEMBL62836,14148,,,445847,CC(C)COC1=C(O)C(=CC=C1)C1=NC2=CC(C(N)=N)=C(F)C=C2N1,"InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)",NSUDDASMRZSVON-UHFFFAOYSA-N
DB06856,,6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE,experimental,,,,,,134,,ZINC000006494961,,14149,,,445849,[H][C@]1(C)CCCC[C@]1([H])OC1=C(O)C(=CC=C1)C1=CC2=CC(C(N)=N)=C(F)C=C2N1,"InChI=1S/C22H24FN3O2/c1-12-5-2-3-7-19(12)28-20-8-4-6-14(21(20)27)18-10-13-9-15(22(24)25)16(23)11-17(13)26-18/h4,6,8-12,19,26-27H,2-3,5,7H2,1H3,(H3,24,25)/t12-,19-/m0/s1",HUYQYLFFFNSAAX-BUXKBTBVSA-N
DB06857,,N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE,experimental,,,,,,136,,ZINC000003591047,CHEMBL62897,14159,,,4300,CC1=CC(I)=C(O)C(=C1)C(=O)NC1=CC(Cl)=C(C=C1)C(N)=N,"InChI=1S/C15H13ClIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)",QKGFTDAISIBIBV-UHFFFAOYSA-N
DB06858,,N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,experimental,,,,,,13U,,ZINC000039025304,,,,,46937030,[H][C@]1(CCCN1C(=O)CNC1CCCCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C23H35N5O2/c24-22(25)18-12-10-17(11-13-18)15-27-23(30)20-9-6-14-28(20)21(29)16-26-19-7-4-2-1-3-5-8-19/h10-13,19-20,26H,1-9,14-16H2,(H3,24,25)(H,27,30)/t20-/m0/s1",MMLOIDMSBRJZAE-FQEVSTJZSA-N
DB06859,,N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE,experimental,,,,,,14A,,ZINC000032304132,CHEMBL123440,50149003,,,657007,NC(=N)NOCCCOC1=CC(Cl)=CC(=C1)C(=O)N(CC=C)C1CCCC1,"InChI=1S/C19H27ClN4O3/c1-2-8-24(16-6-3-4-7-16)18(25)14-11-15(20)13-17(12-14)26-9-5-10-27-23-19(21)22/h2,11-13,16H,1,3-10H2,(H4,21,22,23)",XWIUMAPBZWNFNV-UHFFFAOYSA-N
DB06860,,"2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione",experimental,,,,,,14C,,ZINC000039047805,CHEMBL1229651,50350123,,,25134265,CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC=NC(Cl)=C1,"InChI=1S/C14H9ClN2O2/c1-8-3-2-4-10-12(8)14(19)17(13(10)18)9-5-6-16-11(15)7-9/h2-7H,1H3",YDJMWNHJNJVVMM-UHFFFAOYSA-N
DB06861,,6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE,experimental,,,,,,157,,ZINC000015894724,CHEMBL1229657,50505287,,,6323178,[H][C@](CCCCC(N)=N)(C=O)[C@@]1([H])CCC[C@]1([H])O,"InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1",FCDJKFJACUMSOZ-AXFHLTTASA-N
DB06862,,2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID,experimental,,,,,,159,,ZINC000002047615,,,,,447400,OC(=O)C1=C(O)C=CC(=C1)S(=O)(=O)NCCS,"InChI=1S/C9H11NO5S2/c11-8-2-1-6(5-7(8)9(12)13)17(14,15)10-3-4-16/h1-2,5,10-11,16H,3-4H2,(H,12,13)",UCQUNSCHVXCSCJ-UHFFFAOYSA-N
DB06864,,"2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID",experimental,,,,,,164,,ZINC000004096915,,,,39564,5287432,[H][C@@]1(O)C=CC=C(C(=O)CCC(O)=O)[C@@]1([H])C(O)=O,"InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1",QJYRAJSESKVEAE-PSASIEDQSA-N
DB06865,,6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID,experimental,,,,,,166,,ZINC000006536377,,,,,448123,[H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=CC(=C2)C1=CC=C(O)C=C1,"InChI=1S/C22H26N2O4/c23-20(24)4-2-1-3-17(22(27)28)21-18-11-14(5-6-15(18)12-19(21)26)13-7-9-16(25)10-8-13/h5-11,17,19,21,25-26H,1-4,12H2,(H3,23,24)(H,27,28)/t17-,19+,21+/m1/s1",ZSRRBAKATXAISL-LMNJBCLMSA-N
DB06866,,6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID,experimental,,,,,,167,,ZINC000033922526,,,,,5496862,[H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=C(C=C2)C1=CC(OC)=CC=C1,"InChI=1S/C23H28N2O4/c1-29-17-6-4-5-14(12-17)15-9-10-18-16(11-15)13-20(26)22(18)19(23(27)28)7-2-3-8-21(24)25/h4-6,9-12,19-20,22,26H,2-3,7-8,13H2,1H3,(H3,24,25)(H,27,28)/t19-,20+,22-/m1/s1",NMOUMGFCBOWPAB-RZUBCFFCSA-N
DB06867,,"3,6,9,12,15,18-HEXAOXAICOSANE",experimental,,,,,,16P,,,,,,39576,90206,CCOCCOCCOCCOCCOCCOCC,"InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3",IXFAFGFZFQHRLB-UHFFFAOYSA-N
DB06868,,N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide,experimental,,,,,,16U,,ZINC000039137935,CHEMBL1229677,,,,42615253,[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC(Cl)=CC=C1,"InChI=1S/C18H25ClN2O2/c1-13(2)8-9-17(22)21-10-4-7-16(21)18(23)20-12-14-5-3-6-15(19)11-14/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,20,23)/t16-/m0/s1",PQUULPKGCNPPBX-INIZCTEOSA-N
DB06869,,1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE,experimental,,,,,,177,,ZINC000003831796,CHEMBL42039,50066334,,,448677,[H][C@@](N)(C1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=C(OCC(=O)NCC)C=CC(Cl)=C1,"InChI=1S/C24H35ClN4O4/c1-2-27-21(30)15-33-20-11-10-18(25)13-17(20)14-28-23(31)19-9-6-12-29(19)24(32)22(26)16-7-4-3-5-8-16/h10-11,13,16,19,22H,2-9,12,14-15,26H2,1H3,(H,27,30)(H,28,31)/t19-,22+/m0/s1",BMHVHOJXEQTIEA-SIKLNZKXSA-N
DB06870,618903-56-3,Tetrahydrogestrinone,experimental,,,,,,17H,,ZINC000012496366,,,,190313,6857686,[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1",OXHNQTSIKGHVBH-ANULTFPQSA-N
DB06871,,17-METHYL-17-ALPHA-DIHYDROEQUILENIN,experimental,,,,,,17M,,ZINC000005048688,,,,,9549180,[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12,"InChI=1S/C19H22O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h3-6,11,17,20-21H,7-10H2,1-2H3/t17-,18-,19+/m0/s1",FQMQOMRDADWGJJ-GBESFXJTSA-N
DB06872,,"1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE",experimental,,,,,,181,,ZINC000001542124,,,,,4369475,OCCOCN1C=C(SC2=CC=CC=C2)C(=O)NC1=O,"InChI=1S/C13H14N2O4S/c16-6-7-19-9-15-8-11(12(17)14-13(15)18)20-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,14,17,18)",YWJXYUXIPSIOGG-UHFFFAOYSA-N
DB06873,,"1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE",experimental,,,,,,183,,ZINC000006096461,CHEMBL277577,50030980,,39579,134111,OCCOCN1C=C(CC2=CC=CC(OCC3=CC=CC=C3)=C2)C(=O)NC1=O,"InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)",CSXNPJKDZKLDET-UHFFFAOYSA-N
DB06874,,"(6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL",experimental,,,,,,185,,ZINC000000593355,CHEMBL87647,,,,505461,CC1=CC(=CC(C)=C1OC1=C(Br)C(CO)=NC(NC2=CC=C(C=C2)C#N)=N1)C#N,"InChI=1S/C21H16BrN5O2/c1-12-7-15(10-24)8-13(2)19(12)29-20-18(22)17(11-28)26-21(27-20)25-16-5-3-14(9-23)4-6-16/h3-8,28H,11H2,1-2H3,(H,25,26,27)",LSIZSSASMKSUIU-UHFFFAOYSA-N
DB06875,550997-55-2,ERB-196,experimental,,,,,,196,,ZINC000003816518,CHEMBL192154,50168348,,,6102691,OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1,"InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H",NSSOSHDCWCMNDM-UHFFFAOYSA-N
DB06876,,"N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE",experimental,,,,,,199,,ZINC000016051756,,,,39634,6914568,CN1CCN(CC1)C1=CC=C(C=C1)C1=CC2=C(NC=C2NC(=O)C2=CN=CC=C2)N=C1,"InChI=1S/C24H24N6O/c1-29-9-11-30(12-10-29)20-6-4-17(5-7-20)19-13-21-22(16-27-23(21)26-15-19)28-24(31)18-3-2-8-25-14-18/h2-8,13-16H,9-12H2,1H3,(H,26,27)(H,28,31)",YJWJKKXGAPWLGT-UHFFFAOYSA-N
DB06877,,"N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE",experimental,,,,,,19A,,ZINC000020149026,CHEMBL219841,15614,,,1473242,CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1,"InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)",OPBUUQBZKJSWTN-UHFFFAOYSA-N
DB06878,,1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide,experimental,,,,,,19U,,ZINC000039024307,CHEMBL1198130,50307850,,,25113126,[H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(Cl)=C1,"InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14+/m1/s1",OTYYXGRJXJFTCD-KGLIPLIRSA-N
DB06879,,"5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE",experimental,,,,,,1A2,,ZINC000039187980,,,,,46937031,CCN1C2=C(F)C=CC(F)=C2C(N)=NC11CCN(CC1)C(=O)C1=CN=C(CC1)C#N,"InChI=1S/C21H22F2N6O/c1-2-29-18-16(23)6-5-15(22)17(18)19(25)27-21(29)7-9-28(10-8-21)20(30)13-3-4-14(11-24)26-12-13/h5-6,12H,2-4,7-10H2,1H3,(H2,25,27)",QCFIRACCCDFXIP-UHFFFAOYSA-N
DB06880,,"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE",experimental,,,,,,1AD,,ZINC000036470909,,,,39637,11840904,[H][C@](N)(C1CCCC1)C(=O)N1[C@]([H])(CN)CC[C@]1([H])C#CC,"InChI=1S/C15H25N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-10,16-17H2,1H3/t12-,13-,14-/m0/s1",RIKCMKYTGBHVSX-IHRRRGAJSA-N
DB06881,,(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE,experimental,,,,,,1AE,,ZINC000053683702,,,,,46937032,CCCC(=O)C(\O)=C\OP(O)(O)=O,"InChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4-",HEBDCWKDNSCZMW-XQRVVYSFSA-N
DB06882,,1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea,experimental,,,,,,1AU,,ZINC000039715801,CHEMBL522387,31825,,,25174101,CC(C)(C)C1=NN(C(NC(=O)NC2=C3C=CC=CC3=CC=C2)=C1)C1=CC=CC(N)=C1,"InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)",HJWMLCDGRWWLAQ-UHFFFAOYSA-N
DB06883,,1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea,experimental,,,,,,1AW,,ZINC000013474626,CHEMBL87580,50115216,,,10915062,CC(C)(C)C1=NN(C(NC(=O)NC2=CC=CC=C2)=C1)C1=CC=CC(N)=C1,"InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26)",DHNYNLNKNQJSHF-UHFFFAOYSA-N
DB06884,,4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE,experimental,,,,,,1BA,,ZINC000038478012,,,,,9549223,CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1,"InChI=1S/C17H20N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-10,12,18,20H,11H2,1-2H3,(H,19,21)",MFDXHRPPSJRQFX-UHFFFAOYSA-N
DB06885,,3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid,experimental,,,,,,1BD,,ZINC000038777905,,,,,10400412,OC(=O)CCO\N=C\C1=C(C=CC=C1)C(F)(F)F,"InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+",NBNFAYOWJREHBN-VIZOYTHASA-N
DB06886,,N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL,experimental,,,,,,1BH,,ZINC000015289930,,,,,6323185,[H][C@](C)(O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])(C)NC(=O)OCC1=CC=CC=C1,"InChI=1S/C26H33N3O5/c1-18(27-26(33)34-17-21-12-7-4-8-13-21)25(32)29-15-9-14-23(29)24(31)28-22(19(2)30)16-20-10-5-3-6-11-20/h3-8,10-13,18-19,22-23,30H,9,14-17H2,1-2H3,(H,27,33)(H,28,31)/t18-,19+,22-,23-/m0/s1",MACLRJNEKXUAJK-YDLSIGKMSA-N
DB06887,,"[(3S)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid",experimental,,,,,,1C2,,ZINC000014952619,CHEMBL203517,13433,,,5327152,CNC(=O)[C@@H]1CC2=CC=C(NS(O)(=O)=O)C=C2CN1C(=O)OC(C)(C)C,"InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1",PPSSYXOFPICMQD-ZDUSSCGKSA-N
DB06888,,"(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE",experimental,,,,,,1CD,,ZINC000003820290,,50192071,,,16046126,[H][C@]12CN(CCN3NC4=C(C=CC=C4C3=O)C3=NC4=C(NC3=O)C=CC=C4O1)[C@]([H])(C)C2,"InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1",KBLPHMRCKHFBJB-OLZOCXBDSA-N
DB06889,,"3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one",experimental,,,,,,1CE,,ZINC000004511491,CHEMBL1213446,,,,6458152,O=C1N(CC2=NN=NN2)C=NC2=C1C1=C(CCCC1)S2,"InChI=1S/C12H12N6OS/c19-12-10-7-3-1-2-4-8(7)20-11(10)13-6-18(12)5-9-14-16-17-15-9/h6H,1-5H2,(H,14,15,16,17)",QSBQXAOOVSQABJ-UHFFFAOYSA-N
DB06890,,(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE,experimental,,,,,,1CM,,ZINC000000030669,,,,,670006,[H][C@](CC)(C(=O)NC1=CC=NC=C1)C1=CC=CC=C1,"InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)/t14-/m1/s1",MODBYAQUXXEFRM-CQSZACIVSA-N
DB06891,,"5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE",experimental,,,,,,1CN,,ZINC000013520197,CHEMBL71611,11625,,,11069133,NC1=C(F)C=C(C=C1Cl)S(=O)(=O)NC1=NN=C(S1)S(N)(=O)=O,"InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)",HOLJYLOVIHBQHO-UHFFFAOYSA-N
DB06892,,"(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide",experimental,,,,,,1CX,,ZINC000100034955,,,,,,[H][C@@]1(F)C(F)=CC=C(C(=O)NOCCO)\C1=N\C1=C(F)C=C(I)C=C1,"InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,13,22H,5-6H2,(H,21,23)/b20-14-/t13-/m1/s1",BDLJJGJCIWWATJ-OOHURIHSSA-N
DB06893,20283-21-0,Decylsulfonic acid,experimental,,,,,,1DB,,ZINC000001843748,CHEMBL1208302,,,,49957,CCCCCCCCCCS(O)(=O)=O,"InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)",KVGOXGQSTGQXDD-UHFFFAOYSA-N
DB06894,112-53-8,1-Dodecanol,experimental,,,,1362875,,1DO,,ZINC000001529403,CHEMBL24722,,,28878,8193,CCCCCCCCCCCCO,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",LQZZUXJYWNFBMV-UHFFFAOYSA-N
DB06896,,"1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide",experimental,,,,,,1FN,,ZINC000020148998,CHEMBL509101,24440,,,21081761,FC1=CC=C(C=C1)N1C=CC=C(C(=O)NC2=CC=C(OC3=CC=NC4=C3C=CN4)C(F)=C2)C1=O,"InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)",OBSFXHDOLBYWRJ-UHFFFAOYSA-N
DB06897,,"3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol",experimental,,,,,,1FR,,ZINC000034285229,CHEMBL490814,24934,,,24941248,[H][C@@](C)(NC1=CC2=C(ON=C2C2=CC(Cl)=CC(CCCO)=C2)C=N1)C1=CC=CC=C1,"InChI=1S/C23H22ClN3O2/c1-15(17-7-3-2-4-8-17)26-22-13-20-21(14-25-22)29-27-23(20)18-10-16(6-5-9-28)11-19(24)12-18/h2-4,7-8,10-15,28H,5-6,9H2,1H3,(H,25,26)/t15-/m0/s1",MMGKIHLBFPJYJL-HNNXBMFYSA-N
DB06898,,"4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol",experimental,,,,,,1HP,,ZINC000016052475,,,,,15897928,CN1C(N)=NC2=C1C=C(C=N2)C1=CC=C(O)C=C1,"InChI=1S/C13H12N4O/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(18)5-3-8/h2-7,18H,1H3,(H2,14,15,16)",UGJXOCBVCWTJFP-UHFFFAOYSA-N
DB06899,,"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE",experimental,,,,,,1IG,,ZINC000038191917,,,,,6914625,CCC1=NC(N)=NC(N)=C1C1=CC=C2SC(C)(C)C(=O)N(CCNC(C)=O)C2=C1,"InChI=1S/C20H26N6O2S/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)",RMEVNJZCKDVVND-UHFFFAOYSA-N
DB06900,,1-[4-(hydroxymethyl)phenyl]guanidine,experimental,,,,,,1JZ,,ZINC000015555321,,,,,17975425,NC(=N)NC1=CC=C(CO)C=C1,"InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2,(H4,9,10,11)",JAFHTIHHRCEJDS-UHFFFAOYSA-N
DB06901,,2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL,experimental,,,,,,1NB,,ZINC000003872725,,,,,5287452,[H][C@](CC=C)(C=O)[C@@]1([H])CCC[C@]1([H])O,"InChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1",NEWBFDLFXDTFGD-AEJSXWLSSA-N
DB06902,599-64-4,p-Cumylphenol,experimental,,,,,,1OH,,ZINC000001085204,CHEMBL194805,29609,,35092,11742,CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3",QBDSZLJBMIMQRS-UHFFFAOYSA-N
DB06903,,"(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid",experimental,,,,,,1PL,,ZINC000035465268,,,,,46937034,[H][C@]1(C)CC[C@]2([H])C(=C[C@@]3([H])CC(C)(C)C[C@@]123)C(O)=O,"InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15-/m0/s1",DCFDRCCHOOORSB-JOXOIDLHSA-N
DB06904,,"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE",experimental,,,,,,1PN,,ZINC000103522228,,,,,131704302,[H][C@](C)(OC(C)=O)[C@@]([H])(C=O)[C@@]1([H])NC(=CS1)C(=O)OCC=C,"InChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1",KYVQFVHQVGHNFK-UISBYWKRSA-N
DB06905,,"(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid",experimental,,,,,,1ZN,,ZINC000034247375,,,,,14205264,[H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC,"InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1",HJVCHYDYCYBBQX-HLTLHRPFSA-N
DB06906,15400-53-0,ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate,experimental,,,,,,204,,ZINC000008078165,,50143060,,39721,84894,CCOC(=O)C1=CN=C(N)N=C1O,"InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)",HRRHGLKNOJHIGY-UHFFFAOYSA-N
DB06907,,"2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID",experimental,,,,,,205,,,CHEMBL1229789,,,,5327160,OC(=O)C1=CC2=C(C=C1)N=C(O2)C1=C(Cl)C=CC=C1Cl,"InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)",XVNRKPCHMYOPPL-UHFFFAOYSA-N
DB06908,,"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID",experimental,,,,,,208,,ZINC000003942732,,,,,9549225,[H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O,"InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)/t22-/m0/s1",PAWOPJKHTZCKMT-QFIPXVFZSA-N
DB06909,,"1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide",experimental,,,,,,20A,,ZINC000042878481,CHEMBL521203,50412414,,,9821178,CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1,"InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27)",QZGJNFBMYYEFGM-UHFFFAOYSA-N
DB06910,,"[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE",experimental,,,,,,216,,ZINC000003786324,CHEMBL284314,152,,,446158,[H][C@]1(CC2=CC=CC=C2)N(CC=C)C(=O)N(CC=C)[C@]([H])(CC2=CC=CC=C2)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1",IWJSQELMWLOYSO-LWSSLDFYSA-N
DB06911,,D-leucyl-N-(3-chlorobenzyl)-L-prolinamide,experimental,,,,,,21U,,ZINC000039024956,CHEMBL1229801,,,,25113127,[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,"InChI=1S/C18H26ClN3O2/c1-12(2)9-15(20)18(24)22-8-4-7-16(22)17(23)21-11-13-5-3-6-14(19)10-13/h3,5-6,10,12,15-16H,4,7-9,11,20H2,1-2H3,(H,21,23)/t15-,16+/m1/s1",FHVBVJXZKNCSLP-CVEARBPZSA-N
DB06912,,"UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE",experimental,,,,,,220,,,,,,,71375225,O=CCCCC=C(CCC=C(CCC=O)C=O)C=O,"InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2",WRPMDTWVLJJHMV-UHFFFAOYSA-N
DB06913,,"(3R)-3-[3,5-Bis(trifluoromethyl)anilino]-2-cyano-3-sulfanylpropanamide",experimental,,,,,,221,,,,,,,131704303,[H]S[C@@H](N([H])C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(C#N)C(=O)N([H])[H],"InChI=1S/C12H9F6N3OS/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)21-10(23)8(4-19)9(20)22/h1-3,8,10,21,23H,(H2,20,22)/t8?,10-/m1/s1",ZTUMRSFHUOBXAC-LHIURRSHSA-N
DB06914,,"1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE",experimental,,,,,,224,,ZINC000036177224,CHEMBL495072,50183062,,,11500273,ClC1=CC=C(CCC2(CN3C=CN=C3)OCCO2)C=C1,"InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2",NPIOYRIZNLPLDH-UHFFFAOYSA-N
DB06915,,"naphthalene-1,2,4,5,7-pentol",experimental,,,,,,226,,ZINC000006524423,,,,,448669,OC1=CC(O)=C2C(O)=CC(O)=C(O)C2=C1,"InChI=1S/C10H8O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-15H",IISYZEMBGRNYTH-UHFFFAOYSA-N
DB06916,,"N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE",experimental,,,,,,228,,ZINC000034951255,CHEMBL376632,50205947,,,16115747,[H][C@@]1(CCCN1C1=NC(=NC(C)=C1)N1C=CN=C1)C(=O)NCCC1=CC2=C(OCO2)C=C1,"InChI=1S/C22H24N6O3/c1-15-11-20(26-22(25-15)27-10-8-23-13-27)28-9-2-3-17(28)21(29)24-7-6-16-4-5-18-19(12-16)31-14-30-18/h4-5,8,10-13,17H,2-3,6-7,9,14H2,1H3,(H,24,29)/t17-/m1/s1",LBCGUKCXRVUULK-QGZVFWFLSA-N
DB06917,,(4-fluorophenyl)(pyridin-4-yl)methanone,experimental,,,,,,22F,,ZINC000002583439,CHEMBL563196,50294173,,,7023019,FC1=CC=C(C=C1)C(=O)C1=CC=NC=C1,InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H,WTRWBYGUMQEFFI-UHFFFAOYSA-N
DB06918,,2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE,experimental,,,,,,22M,,ZINC000024802982,,,,,9547940,CC1=CC=CC=C1C1=CC2=C(N1)C=C(C=C2)C(N)=N,"InChI=1S/C16H15N3/c1-10-4-2-3-5-13(10)15-8-11-6-7-12(16(17)18)9-14(11)19-15/h2-9,19H,1H3,(H3,17,18)",ZRYXDGAKQGRHFG-UHFFFAOYSA-N
DB06919,,D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide,experimental,,,,,,22U,,,CHEMBL321130,50307858,,,25011732,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,"InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1",CJHLRGCXPGIPCB-MOPGFXCFSA-N
DB06920,536748-46-6,Eribaxaban,experimental,,,,,,230,,,CHEMBL476186,50266770,PD-0348292,140420,11634458,[H][C@@]1(CN(C(=O)NC2=CC=C(Cl)C=C2)[C@]([H])(C1)C(=O)NC1=CC=C(C=C1F)N1C=CC=CC1=O)OC,"InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1",QQBKAVAGLMGMHI-WIYYLYMNSA-N
DB06921,,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID,experimental,,,,,,235,,ZINC000016052381,,,,,23653508,[H][C@@](C[P@](O)(=O)[C@@]([H])(NS(=O)(=O)C1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1,"InChI=1S/C20H27N2O6PS/c1-14(2)19(22-30(27,28)17-9-4-3-5-10-17)29(25,26)13-18(20(23)24)16-8-6-7-15(11-16)12-21/h3-11,14,18-19,22H,12-13,21H2,1-2H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1",FNZHLCNFXRRIIC-RBUKOAKNSA-N
DB06922,,"2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid",experimental,,,,,,23C,,,CHEMBL405886,41850,,92659,16752640,[H][C@](CC1=CC=CC2=CC=CC=C12)(N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O)C(O)=O,"InChI=1S/C22H15NO6/c24-19-16-9-8-14(21(26)27)10-17(16)20(25)23(19)18(22(28)29)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11H2,(H,26,27)(H,28,29)/t18-/m1/s1",CZNPWASYMRBJCX-GOSISDBHSA-N
DB06923,,2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE,experimental,,,,,,23M,,ZINC000024802816,,,,,9547939,CC1=CC=CC(=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N,"InChI=1S/C16H15N3/c1-10-3-2-4-11(7-10)15-9-13-8-12(16(17)18)5-6-14(13)19-15/h2-9,19H,1H3,(H3,17,18)",KJUSXMYSVXZFDJ-UHFFFAOYSA-N
DB06924,,(2R)-2-benzyl-3-nitropropanoic acid,experimental,,,,,,23N,,ZINC000016052526,CHEMBL407567,50373038,,,24768537,[H][C@@](CC1=CC=CC=C1)(C[N+]([O-])=O)C(O)=O,"InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1",GCXOTBPCUQHSAO-SECBINFHSA-N
DB06925,,3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE,experimental,,,,,,242,,ZINC000014957108,CHEMBL385937,14949,,,15991573,CC1=CC=C(C=C1C1=CC=C2N=C(N)N=CC2=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)",YEIASMOUYNOXGA-UHFFFAOYSA-N
DB06926,,"(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid",experimental,,,,,,243,,ZINC000004655397,CHEMBL451721,50367479,,34154,6443013,[H][C@](O)(CCCCC)\C=C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1",HNICUWMFWZBIFP-IRQZEAMPSA-N
DB06927,,[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE,experimental,,,,,,244,,ZINC000016051648,CHEMBL184151,50152615,,,656953,OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2,"InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2",ZKJVCUXZMYKTLT-UHFFFAOYSA-N
DB06928,,(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID,experimental,,,,,,24I,,ZINC000016051858,,,,,6102781,[H][C@@](CCC(O)=O)(C[P@](O)(=O)CC1=CC=C(I)C=C1)C(O)=O,"InChI=1S/C13H16IO6P/c14-11-4-1-9(2-5-11)7-21(19,20)8-10(13(17)18)3-6-12(15)16/h1-2,4-5,10H,3,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1",PPTCQJLGUKWAEP-SNVBAGLBSA-N
DB06929,,1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,experimental,,,,,,24U,,ZINC000039029982,CHEMBL1198191,50307861,,,25113616,[H][C@]1(CCCN1C(=O)CCC)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1",RYAZZWWVNUWKNB-AWEZNQCLSA-N
DB06930,,"N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide",experimental,,,,,,251,,ZINC000014962105,CHEMBL217068,16751,,,11290116,NC(=N)NC(=O)CN1C(=CC=C1C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)",WVLDNAVUCUAGDP-UHFFFAOYSA-N
DB06931,,"(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)",experimental,,,,,,252,,ZINC000024951633,CHEMBL110971,25265,,,5276507,CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)",COHUUYPEYRMWTH-UHFFFAOYSA-N
DB06932,,"10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine",experimental,,,,,,253,,,CHEMBL235157,19087,,,17754396,COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC,"InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)",NVINUNQBDNEMSY-UHFFFAOYSA-N
DB06933,,N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide,experimental,,,,,,255,,ZINC000016052735,CHEMBL250409,50224009,,,16750106,CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CN=C2C=CC=C(NC3=CC=CC=N3)C2=C1,"InChI=1S/C24H24N4O2S/c1-24(2,3)28-31(29,30)19-12-10-17(11-13-19)18-15-20-21(26-16-18)7-6-8-22(20)27-23-9-4-5-14-25-23/h4-16,28H,1-3H3,(H,25,27)",GJTCKUKIFXWJKG-UHFFFAOYSA-N
DB06934,,(1R)-3-chloro-1-phenylpropan-1-ol,experimental,,,,,,269,,ZINC000000160290,,,,,642409,[H][C@@](O)(CCCl)C1=CC=CC=C1,"InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1",JZFUHAGLMZWKTF-SECBINFHSA-N
DB06935,,"2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID",experimental,,,,,,26C,,ZINC000016052010,CHEMBL122055,383210,,,5327159,OC(=O)C1=CC=C(C=C1)C1=C(F)C=CC=C1F,"InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17)",CWWIIKLXUPZDOG-UHFFFAOYSA-N
DB06936,,N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide,experimental,,,,,,26U,,ZINC000039029983,CHEMBL1229851,50536463,,,25113617,[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C19H28N4O2/c1-13(2)5-10-17(24)23-11-3-4-16(23)19(25)22-12-14-6-8-15(9-7-14)18(20)21/h6-9,13,16H,3-5,10-12H2,1-2H3,(H3,20,21)(H,22,25)/t16-/m0/s1",AEKJCSNKYXWOAQ-INIZCTEOSA-N
DB06937,,"4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL",experimental,,,,,,272,,ZINC000013583538,CHEMBL360410,20733,,,5287464,OC1=CC2=C(C=C1)C(=NO2)C1=C(O)C=C(O)C=C1,"InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H",NBTXJDAHLMMIGY-UHFFFAOYSA-N
DB06938,,4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide,experimental,,,,,,276,,ZINC000016052883,CHEMBL394826,17678,,,11167118,CNC(=O)C1=NC=CC(OC2=CC3=C(C=C2)N=C(NC2=CC(=C(Cl)C=C2)C(F)(F)F)N3)=C1,"InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30)",ZJLSMLDOCGOURY-UHFFFAOYSA-N
DB06939,,"N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE",experimental,,,,,,277,,,CHEMBL1229855,50489033,,,,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C)[C@@]1([H])CC[C@@]([H])(CC1)N(C)C(C)=O,"InChI=1S/C17H30FN3O2/c1-11(16(19)17(23)21-9-8-14(18)10-21)13-4-6-15(7-5-13)20(3)12(2)22/h11,13-16H,4-10,19H2,1-3H3/t11-,13-,14-,15-,16-/m0/s1",BZFQBRSDORUYAB-YDMUCJKGSA-N
DB06940,,"N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",experimental,,,,,,279,,ZINC000006718471,CHEMBL252128,20649,,,10134493,CCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NOC)C2=C1C,"InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23)",ZZTMFGIGOADCFX-UHFFFAOYSA-N
DB06941,,(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide,experimental,,,,,,27A,,ZINC000053683725,,,,,,CN1CCN(CC1)C1=C(C\N=N/C(N)=S)C=CC=C1,"InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)/b16-15-",KAASZVAHBVMHCO-NXVVXOECSA-N
DB06942,,N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide,experimental,,,,,,27U,,ZINC000039029430,CHEMBL1198147,50307869,,,25113615,[H][C@]1(CCCN1C(=O)CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C22H26N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,19H,4,7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1",RNZKCCPFUWHBFY-IBGZPJMESA-N
DB06943,,(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol,experimental,,,,,,283,,ZINC000016052299,CHEMBL243024,26544,,,9861547,[H][C@]1(S)CCN(C1)S(=O)(=O)C1=CC=C(OCC#CC)C=C1,"InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m0/s1",BLIQFUCBRCDFAI-ZDUSSCGKSA-N
DB06944,,N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide,experimental,,,,,,292,,,CHEMBL115220,7108,,,449087,O=C(CC1=CC2=C(C=CC=C2)C=C1)NC1=CC(=NN1)C1CC1,"InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)",RIGZCVNCFXYBEG-UHFFFAOYSA-N
DB06945,,N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide,experimental,,,,,,294,,ZINC000024177188,CHEMBL1229868,50348671,,,9933197,ONC(=O)C1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)C(F)(F)F)C=C1,"InChI=1S/C19H18F3NO6S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24)",FOSWRYKPHVPIDJ-UHFFFAOYSA-N
DB06946,,"(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid",experimental,,,,,,295,,,,,,,23644579,[H][C@@](O)(C(O)=O)[C@@]([H])(O)C1=CC=C(F)C=C1,"InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1",DWYLYIVEFVSGCP-YUMQZZPRSA-N
DB06947,,1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide,experimental,,,,,,29U,,ZINC000039024957,CHEMBL1198148,50307871,,,25113128,[H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14+/m1/s1",YHAMQFKGUUSJMU-KGLIPLIRSA-N
DB06948,,2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE,experimental,,,,,,2A6,,,CHEMBL122264,5530,,,1540,C(OC1=C2NC=NC2=NC(NC2=CC=CC=C2)=N1)C1CCCCC1,"InChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23)",XWWRLKIBRPJQJX-UHFFFAOYSA-N
DB06949,,"N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide",experimental,,,,,,2BC,,ZINC000040422706,CHEMBL492513,31930,,,135867735,OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C3C=CC=CC3=C2)C(O)=C1Br,"InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+",LVLHTGJPIBVDTM-ZVBGSRNCSA-N
DB06950,,"4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",experimental,,,,,,2BE,,ZINC000040913559,CHEMBL474024,31926,,,135579320,OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C(Cl)C=C2)C(O)=C1Br,"InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+",ZDMUFSJTENTNDA-NGYBGAFCSA-N
DB06951,,(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid,experimental,,,,,,2BL,,ZINC000002047341,,,,,444650,[H][C@](CC)(C(O)=O)[C@]([H])(NS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,"InChI=1S/C13H17NO6S/c1-3-10(12(15)16)11(13(17)18)14-21(19,20)9-6-4-8(2)5-7-9/h4-7,10-11,14H,3H2,1-2H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1",KPHLTCNXHCHMOW-MNOVXSKESA-N
DB06952,,(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID,experimental,,,,,,2C2,,,,,,,16122570,OC(=O)[C@@]1(O)OC2=CC=CC=C2C=C1,"InChI=1S/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)/t10-/m0/s1",LGYIZQLNYONEFJ-JTQLQIEISA-N
DB06953,,2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE,experimental,,,,,,2C5,,ZINC000013489607,,,,,5287467,[H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N,"InChI=1S/C25H17Cl2N5O/c1-32-15-30-13-23(32)24(17-7-5-16(11-28)6-8-17)33-14-22-21(10-19(12-29)25(27)31-22)18-3-2-4-20(26)9-18/h2-10,13,15,24H,14H2,1H3/t24-/m1/s1",JVWHVGIRXILXMU-XMMPIXPASA-N
DB06954,,"2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate",experimental,,,,,,2C7,,ZINC000039123364,CHEMBL476937,25896,,,11245700,NS(=O)(=O)OC1=CC=C2C=C(CC3CCCCCC3)S(=O)(=O)C2=C1,"InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)",BIASYWBGUYOWJR-UHFFFAOYSA-N
DB06955,,"3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid",experimental,,,,,,2CC,,,,,,59196,25246329,OC(=O)C1=C(C2=CNC3=C(Cl)C=CC=C23)C(=C(N1)C(O)=O)C1=CNC2=C(Cl)C=CC=C12,"InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)",OAMCCJASDLMTOO-UHFFFAOYSA-N
DB06956,,"N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE",experimental,,,,,,2D7,,ZINC000016051845,CHEMBL200469,15393,,,5287469,CC(=O)C1=CC=C(NC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,"InChI=1S/C18H14ClN3O4/c1-9(23)10-2-4-11(5-3-10)21-18(26)13-8-20-22-17(13)12-6-14(19)16(25)7-15(12)24/h2-8,24-25H,1H3,(H,20,22)(H,21,26)",BTTFXKUTBNGQTP-UHFFFAOYSA-N
DB06957,,"4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL",experimental,,,,,,2D9,,ZINC000034209146,CHEMBL208239,50182712,,,135431462,CS(=O)(=O)C1=CC=C(CN2CCN(CC2)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,"InChI=1S/C21H23ClN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24)",BDFJIEMVNDLSTB-UHFFFAOYSA-N
DB06958,,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE",experimental,,,,,,2E1,,ZINC000016051872,CHEMBL207701,50182714,,,135431463,CCNC(=O)C1=NNC(=C1N1CCNCC1)C1=CC(Cl)=C(O)C=C1O,"InChI=1S/C16H20ClN5O3/c1-2-19-16(25)14-15(22-5-3-18-4-6-22)13(20-21-14)9-7-10(17)12(24)8-11(9)23/h7-8,18,23-24H,2-6H2,1H3,(H,19,25)(H,20,21)",SORAKBHHTGVZCS-UHFFFAOYSA-N
DB06959,,(2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine,experimental,,,,,,2EA,,,,,,,11840906,[H]N([H])[C@H](COC1=CN=CC(=C1)C1=CC2=C(C=C1)C=NC=C2)CC1C=NC2=CC=CC=C12,"InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,21-22H,10,16,26H2/t21?,22-/m0/s1",BUCZDJYEOAQTHL-KEKNWZKVSA-N
DB06960,,"N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide",experimental,,,,,,2ED,,ZINC000008830549,,,,,12302745,[H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@@]([H])(CO)NC(C)=O,"InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1",BLTCBVOJNNKFKC-KTEGJIGUSA-N
DB06961,,"5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide",experimental,,,,,,2EQ,,ZINC000014974863,CHEMBL398346,20903,,,135525416,CCNC(=O)C1=NOC(=C1C1=CC=C(CN2CCOCC2)C=C1)C1=C(O)C=C(O)C(Cl)=C1,"InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)",APGOABVITLQCKW-UHFFFAOYSA-N
DB06962,1025795-11-2,JNJ-27390467,experimental,,,,,,2FF,,ZINC000024953575,CHEMBL255590,50374176,,,24180717,NCC1=CC=C2OCC3(CCN(CC3)C(=O)C3=CC=C(O3)C#CC3=CC=CC=C3)C2=C1,"InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2",YKTUSHSSKIWDRY-UHFFFAOYSA-N
DB06963,,"3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide",experimental,,,,,,2FR,,ZINC000020149008,,,,,24941249,[H][C@@](C)(NC1=CC2=C(C=N1)C(C)=NN2C1=CC=CC(CCC(N)=O)=C1)C1=CC=CC=C1,"InChI=1S/C24H25N5O/c1-16(19-8-4-3-5-9-19)27-24-14-22-21(15-26-24)17(2)28-29(22)20-10-6-7-18(13-20)11-12-23(25)30/h3-10,13-16H,11-12H2,1-2H3,(H2,25,30)(H,26,27)/t16-/m0/s1",ZFGCLYUGFRNYFE-INIZCTEOSA-N
DB06964,,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE",experimental,,,,,,2GG,,ZINC000014974852,CHEMBL252124,20899,,,135446210,CCNC(=O)C1=NOC(=C1C1=CC=C(OC)C=C1)C1=C(O)C=C(O)C(Cl)=C1,"InChI=1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)",JXPCDMPJCKNLBY-UHFFFAOYSA-N
DB06965,,Hexylphosphonic acid (R)-2-methyl-3-phenylpropyl ester,experimental,,,,,,2HR,,ZINC000006273330,,,,,4369425,CCCCCCP(O)(=O)OC[C@H](C)CC1=CC=CC=C1,"InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m1/s1",MMTDYBZZRYOMFD-OAHLLOKOSA-N
DB06966,,Hexylphosphonic acid (S)-2-methyl-3-phenylpropyl ester,experimental,,,,,,2HS,,ZINC000006273329,,,,,4369426,CCCCCCP(O)(=O)OC[C@@H](C)CC1=CC=CC=C1,"InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1",MMTDYBZZRYOMFD-HNNXBMFYSA-N
DB06967,,"6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE",experimental,,,,,,2IG,,ZINC000014966601,,18039,,,6914626,CCC1=NC(N)=NC(N)=C1C1=CC2=C(C=C1)C1=CC=CC=C1N2CCCOC,"InChI=1S/C22H25N5O/c1-3-17-20(21(23)26-22(24)25-17)14-9-10-16-15-7-4-5-8-18(15)27(19(16)13-14)11-6-12-28-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H4,23,24,25,26)",MLSVRCGEBXIIQO-UHFFFAOYSA-N
DB06968,,"1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE)",experimental,,,,,,2IH,,ZINC000053683994,CHEMBL1229947,,,,16122577,C(CCCN1C=CN=C1)CCN1C=CN=C1,"InChI=1S/C12H18N4/c1(3-7-15-9-5-13-11-15)2-4-8-16-10-6-14-12-16/h5-6,9-12H,1-4,7-8H2",CHRPUSCNMSNSKL-UHFFFAOYSA-N
DB06969,,"2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide",experimental,,,,,,2KL,,ZINC000036966109,CHEMBL563327,33237,,,25210273,CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C(OCCN2CCCC2)=C1,"InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)",WJUNQSYQHHIVFX-UHFFFAOYSA-N
DB06970,,"2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE",experimental,,,,,,2LG,,ZINC000000854136,CHEMBL329363,50137778,,,1117937,CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=C(C#N)C2=C(CCC2)S1,"InChI=1S/C19H20ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7H2,1-2H3,(H,22,24)",MZCDQILVXXIMEV-UHFFFAOYSA-N
DB06971,,"N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA",experimental,,,,,,2NI,,ZINC000016051742,CHEMBL200435,50175780,,,5326979,CN(CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)C(=O)NO,"InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)",GVMUNGGWXRKCEU-UHFFFAOYSA-N
DB06972,,"7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile",experimental,,,,,,2O7,,ZINC000016052276,CHEMBL232942,,,,16040268,ClC1=CC(=CC(Cl)=C1)C1=C(C#N)[C@@]2(CC3=CC=C(C=C3)C#N)CCCN2C1=O,"InChI=1S/C22H15Cl2N3O/c23-17-8-16(9-18(24)10-17)20-19(13-26)22(6-1-7-27(22)21(20)28)11-14-2-4-15(12-25)5-3-14/h2-5,8-10H,1,6-7,11H2/t22-/m0/s1",TZCXQSNBTXDAJG-QFIPXVFZSA-N
DB06973,80-05-7,Bisphenol A,experimental,,,,1433347,,2OH,,ZINC000000056434,CHEMBL418971,29608,,33216,6623,CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3",IISBACLAFKSPIT-UHFFFAOYSA-N
DB06974,,"5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one",experimental,,,,,,2PD,,ZINC000029128056,CHEMBL255134,30545,,,135566418,COC1=CC=C2N=C(NS(=O)(=O)C2=C1)C1=C(O)C(=NN(CCC(C)C)C1=O)C1=CC=CC=C1,"InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26)",HTTWNUWLEOXVKB-UHFFFAOYSA-N
DB06976,,"1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA",experimental,,,,,,2PU,,ZINC000005974264,CHEMBL359020,6631,,,445841,[H][C@]1(CCCN1)C1=CC(NC(=O)NC2=CC=CC3=C2[C@]2([H])CCCN2C3=O)=NN1,"InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/t12-,15-/m0/s1",IWOOJEZSDPRYAZ-WFASDCNBSA-N
DB06977,,(2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine,experimental,,,,,,2PY,,,,,,,49866474,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=CNN=C2C=C1)CC1=C2C=CC=CC2([H])N=C1,"InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,23H,8,14,24H2,(H,27,28)/t19-,23?/m0/s1",CAASENZOSQYNPX-HSTJUUNISA-N
DB06978,,"N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide",experimental,,,,,,2RB,,ZINC000009190152,CHEMBL492514,31931,,,135579518,COC1=CC=C(C=C1)C(=O)N\N=C\C1=CC(Br)=C(O)C(Br)=C1O,"InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+",BMGXNERTVNWBJG-CNHKJKLMSA-N
DB06979,,"5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid",experimental,,,,,,2RD,,ZINC000016052525,CHEMBL1229989,50463046,,,24180714,CCCCCCCCCCCCSC1=C(N=NN1)C(O)=O,"InChI=1S/C15H27N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-14-13(15(19)20)16-18-17-14/h2-12H2,1H3,(H,19,20)(H,16,17,18)",IEZPFPQAXAREGM-UHFFFAOYSA-N
DB06980,,(2S)-2-(1H-indol-3-yl)hexanoic acid,experimental,,,,,,2S2,,,,,,,24768549,[H][C@@](CCCC)(C(O)=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C14H17NO2/c1-2-3-6-11(14(16)17)12-9-15-13-8-5-4-7-10(12)13/h4-5,7-9,11,15H,2-3,6H2,1H3,(H,16,17)/t11-/m0/s1",RCBHCHBXRBYJGU-NSHDSACASA-N
DB06981,,(2S)-2-(1H-indol-3-yl)pentanoic acid,experimental,,,,,,2S3,,ZINC000039119680,,,,,24768551,[H][C@@](CCC)(C(O)=O)C1=CNC2=CC=CC=C12,"InChI=1S/C13H15NO2/c1-2-5-10(13(15)16)11-8-14-12-7-4-3-6-9(11)12/h3-4,6-8,10,14H,2,5H2,1H3,(H,15,16)/t10-/m0/s1",QRCBLBWFQJDFJQ-JTQLQIEISA-N
DB06982,,(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid,experimental,,,,,,2S8,,ZINC000053683754,,,,,24768548,[H][C@@](CCCCCCNC(=O)OC(C)(C)C)(C(O)=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C21H30N2O4/c1-21(2,3)27-20(26)22-13-9-5-4-6-11-16(19(24)25)17-14-23-18-12-8-7-10-15(17)18/h7-8,10,12,14,16,23H,4-6,9,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m0/s1",AWVCKFLATUTBCX-INIZCTEOSA-N
DB06983,,"(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol",experimental,,,,,,2SC,,ZINC000028958754,CHEMBL400520,,,,21066379,OCC1=C2N=C(C=C(NCC3=CN=CC=C3)N2N=C1)C1=CC=CC=C1,"InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2",RBLKWWBHDUBPFN-UHFFFAOYSA-N
DB06984,,"(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol",experimental,,,,,,2SK,,ZINC000038191910,,84462,,,6914612,[H]N(CC1=CC=CC=C1)[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@]1([H])SC,"InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1",CHTYSDQNKZIWBZ-ZOLYEBIHSA-N
DB06985,,2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid,experimental,,,,,,2T1,,ZINC000044559762,CHEMBL1230001,50019040,,,25138295,OC(=O)C1=C(NC(=O)N2CCC(CC2)C2=C(C=CC=C2)C(F)(F)F)C=CC=C1,"InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)",MEAQCLPMSVEOQF-UHFFFAOYSA-N
DB06986,,"2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",experimental,,,,,,2TH,,ZINC000034855089,CHEMBL386015,50194412,,,15991546,[H][C@]1(CC2=C(C=CC=C2)[C@@]1([H])O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,"InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1",LRHOLHTVXXSIMG-BXUZGUMPSA-N
DB06987,56715-13-0,(R)-Atenolol,experimental,,,,,,2TN,,ZINC000000014007,CHEMBL1230004,,,55352,180559,CC(C)NC[C@@H](O)COC1=CC=C(CC(N)=O)C=C1,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1",METKIMKYRPQLGS-GFCCVEGCSA-N
DB06988,,2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE,experimental,,,,,,2TY,,ZINC000053683758,,,,39866,,[H][C@](N)(CC1=CC(\N=C\CC2=CC=CC=C2)=C(O)C=C1O)C(O)=O,"InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1",BSKROLLIUIDPDT-KUJOXMSCSA-N
DB06989,,{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID,experimental,,,,,,2UN,,ZINC000016052091,CHEMBL379000,50188776,,,6914659,COC(=O)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OC,"InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)",SUACYXRSGYYBGT-UHFFFAOYSA-N
DB06990,,"4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID",experimental,,,,,,302,,ZINC000016052150,CHEMBL1213412,,,,11987861,OC(=O)C1=CC=C(\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2)C=C1,"InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-6-5-24-16-8-10-1-3-11(4-2-10)14(21)22/h1-4,7-9H,5-6H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+",XHDKIDMFBWLHAX-GONBZBRSSA-N
DB06991,,"N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide",experimental,,,,,,304,,ZINC000024967201,CHEMBL258202,50236473,,,11427975,[H][C@@](C)(CC)NC1=NC=C(S1)C(=O)NC1=C(C)C=CC(=C1)C(=O)NC,"InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1",OYOUIHFZUAKCEF-LLVKDONJSA-N
DB06992,,"(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone",experimental,,,,,,311,,ZINC000024974654,CHEMBL406572,32522,,,24808495,CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1,"InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3",SIDDLTBLAQYZIZ-UHFFFAOYSA-N
DB06993,,"(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine",experimental,,,,,,315,,,,,,,60206636,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@]([H])(CC1CC1)C1([H])N[C@]([H])(NO1)C1=C(F)C=C(C=C1)S(C)(=O)=O,"InChI=1S/C20H28F2N4O4S/c1-31(28,29)13-4-5-14(16(22)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(21)10-26/h4-5,9,11-12,15,17-19,24-25H,2-3,6-8,10,23H2,1H3/t12-,15-,17-,18+,19?/m0/s1",PTAHVQJZNFGPHN-WFWWEWPISA-N
DB06994,,"(2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine",experimental,,,,,,317,,ZINC000024971415,CHEMBL1185242,50374938,,,24768547,[H][C@@](N)(C(F)=C1CCCC1)[C@]([H])(CC1CC1)C1=NC(=NO1)C1=CC=C(C=C1Cl)S(C)(=O)=O,"InChI=1S/C21H25ClFN3O3S/c1-30(27,28)14-8-9-15(17(22)11-14)20-25-21(29-26-20)16(10-12-6-7-12)19(24)18(23)13-4-2-3-5-13/h8-9,11-12,16,19H,2-7,10,24H2,1H3/t16-,19-/m0/s1",XCCSSVMRGIQMGF-LPHOPBHVSA-N
DB06995,,N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide,experimental,,,,,,319,,ZINC000020148999,CHEMBL527066,50271940,,,17748441,NC1=NC=CC(OC2=C(F)C=C(NC(=O)NC(=O)CC3=CC=C(F)C=C3)C=C2)=C1,"InChI=1S/C20H16F2N4O3/c21-13-3-1-12(2-4-13)9-19(27)26-20(28)25-14-5-6-17(16(22)10-14)29-15-7-8-24-18(23)11-15/h1-8,10-11H,9H2,(H2,23,24)(H2,25,26,27,28)",USBSTVPJNQLYEM-UHFFFAOYSA-N
DB06996,,D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,experimental,,,,,,31U,,ZINC000039034766,CHEMBL1230016,,,,25220914,[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C19H29N5O2/c1-12(2)10-15(20)19(26)24-9-3-4-16(24)18(25)23-11-13-5-7-14(8-6-13)17(21)22/h5-8,12,15-16H,3-4,9-11,20H2,1-2H3,(H3,21,22)(H,23,25)/t15-,16+/m1/s1",XFNMDMGNNKIXBT-CVEARBPZSA-N
DB06997,,"2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide",experimental,,,,,,320,,ZINC000016052749,CHEMBL503090,50271895,,,11560856,FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1,"InChI=1S/C22H16F2N4O3/c23-14-3-1-13(2-4-14)11-20(29)28-22(30)27-15-5-6-19(17(24)12-15)31-18-8-10-26-21-16(18)7-9-25-21/h1-10,12H,11H2,(H,25,26)(H2,27,28,29,30)",BMPOCDJEXAXXEZ-UHFFFAOYSA-N
DB06998,,"[(5R)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",experimental,,,,,,322,,ZINC000053683767,,,,,24860533,[H][C@]1(CC2=C(Br)C(Br)=C(O)C(OCC)=C2)SC(=S)N(CC(O)=O)C1=O,"InChI=1S/C14H13Br2NO5S2/c1-2-22-7-3-6(10(15)11(16)12(7)20)4-8-13(21)17(5-9(18)19)14(23)24-8/h3,8,20H,2,4-5H2,1H3,(H,18,19)/t8-/m1/s1",ABQHPGHMYXJJIV-MRVPVSSYSA-N
DB06999,918505-84-7,PLX-4720,experimental,,,,,,324,,ZINC000039059267,CHEMBL1230020,25617,,90295,24180719,CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=C2C=C(Cl)C=N3)=C1F,"InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)",YZDJQTHVDDOVHR-UHFFFAOYSA-N
DB07000,,"N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide",experimental,,,,,,325,,,,,,,24180720,CCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=CC=C2)=C1F,"InChI=1S/C21H16F2N4O3S/c1-2-31(29,30)27-17-6-5-16(22)18(19(17)23)20(28)15-11-26-21-14(15)8-13(10-25-21)12-4-3-7-24-9-12/h3-11,27H,2H2,1H3,(H,25,26)",ILXJWLWSYAWJKZ-UHFFFAOYSA-N
DB07001,,"(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine",experimental,,,,,,327,,ZINC000039187988,CHEMBL1230023,50392587,,,24941263,CCC[C@H]1COC2=C(SC=C2)C(N)=N1,"InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1",JIIBOYBTIWHZFJ-ZETCQYMHSA-N
DB07002,,4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile,experimental,,,,,,328,,ZINC000003820258,CHEMBL114500,50148167,,95013,9797857,COC1=CC=NC(NC2CCN(CC2)C(=O)C2=CC=C(C=C2)C#N)=C1,"InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22)",SZUVGMCKKLJAFX-UHFFFAOYSA-N
DB07003,,"(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine",experimental,,,,,,329,,ZINC000000026310,CHEMBL1221702,36401,,,24894153,[H][C@]1(C)CN=C(N)C2=C(O1)C=CS2,"InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1",TUOXPJFCQDMQOX-YFKPBYRVSA-N
DB07004,,2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide,experimental,,,,,,32A,,ZINC000004364330,,,,,2823014,CCCCC#CC1=CC=C(O1)C(=O)NNC(=S)NC,"InChI=1S/C13H17N3O2S/c1-3-4-5-6-7-10-8-9-11(18-10)12(17)15-16-13(19)14-2/h8-9H,3-5H2,1-2H3,(H,15,17)(H2,14,16,19)",CUKZXTKQBXLMDO-UHFFFAOYSA-N
DB07005,,D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide,experimental,,,,,,32U,,,,,,,46937043,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=[NH2+],"InChI=1S/C22H27N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H3,24,25)(H,26,28)/p+1/t18-,19+/m1/s1",VZFTWWJAUZOJDH-MOPGFXCFSA-O
DB07006,,"9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE",experimental,,,,,,330,,ZINC000016052181,CHEMBL512341,50245497,,,10364585,COC1=CC=CC=C1C1=CC2=C(C3=C(C=CC(O)=C3)N2CCCO)C2=C1C(=O)NC2=O,"InChI=1S/C24H20N2O5/c1-31-19-6-3-2-5-14(19)15-12-18-20(22-21(15)23(29)25-24(22)30)16-11-13(28)7-8-17(16)26(18)9-4-10-27/h2-3,5-8,11-12,27-28H,4,9-10H2,1H3,(H,25,29,30)",AOGOZJCRIFBTTN-UHFFFAOYSA-N
DB07007,,"(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine",experimental,,,,,,332,,ZINC000039187990,,36403,,,24894155,[H][C@@]1(COC2=CC=C3CCNCC3=C2)COC2=C(SC=C2)C(N)=N1,"InChI=1S/C17H19N3O2S/c18-17-16-15(4-6-23-16)22-10-13(20-17)9-21-14-2-1-11-3-5-19-8-12(11)7-14/h1-2,4,6-7,13,19H,3,5,8-10H2,(H2,18,20)/t13-/m1/s1",UDFXWCLBONUMNA-CYBMUJFWSA-N
DB07008,,"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE",experimental,,,,,,333,,ZINC000000593137,CHEMBL243978,50207101,,,9969613,C1OC2=C(O1)C=C(OC1=CC=NC(OC3=CC=C(C=C3)N3C=CN=C3)=N1)C=C2,"InChI=1S/C20H14N4O4/c1-3-15(4-2-14(1)24-10-9-21-12-24)28-20-22-8-7-19(23-20)27-16-5-6-17-18(11-16)26-13-25-17/h1-12H,13H2",XPXGYINSBORUMM-UHFFFAOYSA-N
DB07009,,"2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL",experimental,,,,,,338,,ZINC000003817711,CHEMBL185918,50154062,,,4369550,OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1,"InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H",JHOZVRGNIYFYHE-UHFFFAOYSA-N
DB07010,,N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE,experimental,,,,,,33A,,ZINC000020149027,CHEMBL220320,15621,,,135449325,ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1,"InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)",PDJZASCRQRBYQS-UHFFFAOYSA-N
DB07011,,"(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE",experimental,,,,,,342,,ZINC000003819338,CHEMBL232827,50208484,,,11740318,[H][C@@]1(CCCN(CC2=CC3=C(OCO3)C=C2)C1)OC1=CC=C(C=C1)N1C=CN=C1,"InChI=1S/C22H23N3O3/c1-2-20(28-19-6-4-18(5-7-19)25-11-9-23-15-25)14-24(10-1)13-17-3-8-21-22(12-17)27-16-26-21/h3-9,11-12,15,20H,1-2,10,13-14,16H2/t20-/m0/s1",HHOPJGKEAIIIDF-FQEVSTJZSA-N
DB07012,,"6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE",experimental,,,,,,344,,ZINC000016051807,,,,,135483591,NC1=NC2=CC3=C(C=C2C(=O)N1)N=CN3,"InChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15)",VQSMWFVKBKMHTO-UHFFFAOYSA-N
DB07013,,TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE,experimental,,,,,,347,,ZINC000028861972,CHEMBL236573,23502,,,24768528,CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO,"InChI=1S/C22H31N3O6S/c1-5-6-13-23-17-7-9-18(10-8-17)32(29,30)16-22(19(26)24-28)11-14-25(15-12-22)20(27)31-21(2,3)4/h7-10,23,28H,11-16H2,1-4H3,(H,24,26)",RXFCFGLSOUOCEA-UHFFFAOYSA-N
DB07014,,"2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole",experimental,,,,,,34O,,ZINC000002618029,CHEMBL456218,31559,,,2079916,COC1=C(F)C=C(CSC2=NN=C(O2)C2=CC3=C(OCO3)C=C2)C=C1,"InChI=1S/C17H13FN2O4S/c1-21-13-4-2-10(6-12(13)18)8-25-17-20-19-16(24-17)11-3-5-14-15(7-11)23-9-22-14/h2-7H,8-9H2,1H3",TUTZKAQTSPMEBI-UHFFFAOYSA-N
DB07015,,"(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine",experimental,,,,,,34Q,,ZINC000038972784,CHEMBL1230044,50489023,,,24752844,[H][C@]1(N)CN(C[C@@]1([H])C(=O)N1CCCC1)C(=O)C1=CN=C2C=CC=CC2=N1,"InChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1",XDSKICAQKGYYJF-OLZOCXBDSA-N
DB07016,,"(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline",experimental,,,,,,34T,,ZINC000053683775,,,,,,[H][C@]1(C)CNC2=C(C1)C=CC=C2S(=O)=O,"InChI=1S/C10H13NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-4,7,11,14H,5-6H2,1H3/t7-/m1/s1",VVVJJANGXMGMGC-SSDOTTSWSA-N
DB07017,,"(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one",experimental,,,,,,352,,ZINC000039205342,CHEMBL455907,50273458,,,135566449,C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)C1=CC=C(F)C=C1,"InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1",HYVZYASDRIAOPU-BJOHPYRUSA-N
DB07018,,5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE,experimental,,,,,,357,,ZINC000005886429,CHEMBL177275,50478673,,,486953,CCC1=C(C)NC(=O)C(N(C)CCOC)=C1CC1=CC=CC(C)=C1,"InChI=1S/C20H28N2O2/c1-6-17-15(3)21-20(23)19(22(4)10-11-24-5)18(17)13-16-9-7-8-14(2)12-16/h7-9,12H,6,10-11,13H2,1-5H3,(H,21,23)",USWKTQVAABDFSY-UHFFFAOYSA-N
DB07019,,"N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE",experimental,,,,,,35A,,ZINC000016052369,,,,,24768527,[H][C@@]1(C)CCC2=CC(C[C@@](C)(N)C(=O)OCC3=CC(CC1)=NC(=C3)N(C)S(C)(=O)=O)=CC=C2,"InChI=1S/C24H33N3O4S/c1-17-8-10-18-6-5-7-19(12-18)15-24(2,25)23(28)31-16-20-13-21(11-9-17)26-22(14-20)27(3)32(4,29)30/h5-7,12-14,17H,8-11,15-16,25H2,1-4H3/t17-,24-/m1/s1",QWDOKZPZLWNULU-MZNJEOGPSA-N
DB07020,,"N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide",experimental,,,,,,35F,,ZINC000020149009,CHEMBL1230051,,,,22479942,O=C(NC1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1)C1=CC=CO1,"InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26)",LMDMJDCLPIVGQD-UHFFFAOYSA-N
DB07021,,"(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine",experimental,,,,,,361,,ZINC000034809220,CHEMBL1194345,50296490,,,15953860,[H][C@]1(N)CN2C(C[C@]1([H])C1=CC(F)=C(F)C=C1F)=NC1=C2C=CN=C1,"InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1",SOSYXEPELJIJHZ-RNCFNFMXSA-N
DB07022,,3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate,experimental,,,,,,367,,ZINC000053683778,,,,,11304895,NC(=N)C1=CC2=C(NC(=O)C3=CC=CC(=C3)S(=O)(=O)OCCCO)C=CC=C2C=C1,"InChI=1S/C21H21N3O5S/c22-20(23)15-9-8-14-4-2-7-19(18(14)13-15)24-21(26)16-5-1-6-17(12-16)30(27,28)29-11-3-10-25/h1-2,4-9,12-13,25H,3,10-11H2,(H3,22,23)(H,24,26)",PXERBGNIBOFZOW-UHFFFAOYSA-N
DB07023,,"(1R)-2-[(Diaminomethylene)amino]-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate",experimental,,,,,,368,,ZINC000169748491,,,,,6857688,[H]N([H])C(=NC[C@H](OC(=O)C1=CN=CC=C1)C1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H],"InChI=1S/C18H21BN4O5/c20-18(21)23-9-16(27-17(25)13-2-1-7-22-8-13)12-3-5-14(6-4-12)19-26-11-15(10-24)28-19/h1-8,15-16,24H,9-11H2,(H4,20,21,23)/t15-,16+/m1/s1",HGLWHYRZHMOCMC-CVEARBPZSA-N
DB07024,,"2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE",experimental,,,,,,371,,ZINC000028822447,CHEMBL232557,50200804,,,15942652,CC1=CC(N2CCCS2(=O)=O)=C2OC(=C(O)C(=O)C2=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C19H17NO7S/c1-10-7-12-16(23)17(24)18(11-3-4-14(21)15(22)9-11)27-19(12)13(8-10)20-5-2-6-28(20,25)26/h3-4,7-9,21-22,24H,2,5-6H2,1H3",CEXBEGBNDJVZPK-UHFFFAOYSA-N
DB07025,,3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE,experimental,,,,,,373,,ZINC000016052151,CHEMBL221735,50195206,,,10156987,NCC1CCN(CC2=CC3=C(NC(=C3)C3=CC4=CC=CC=C4NC3=O)C=C2)CC1,"InChI=1S/C24H26N4O/c25-14-16-7-9-28(10-8-16)15-17-5-6-22-19(11-17)13-23(26-22)20-12-18-3-1-2-4-21(18)27-24(20)29/h1-6,11-13,16,26H,7-10,14-15,25H2,(H,27,29)",KBIHHEGEALBUMT-UHFFFAOYSA-N
DB07026,,"(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE",experimental,,,,,,37A,,ZINC000053683784,,29018,,,11987860,[H][C@]12CN(C[C@]([H])(O1)[C@@]([H])(O2)C(=O)NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NO,"InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1",PPLDARNGJSQINK-OKZBNKHCSA-N
DB07027,,D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide,experimental,,,,,,37U,,ZINC000039020704,,,,,25011733,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(F)=C1,"InChI=1S/C21H24FN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1",JGZSVYZIJHGHMA-MOPGFXCFSA-N
DB07028,,(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID,experimental,,,,,,388,,ZINC000013137480,CHEMBL1230062,16238,,,16058629,OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=C(F)C=C(Br)C=C1,"InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)",ZLIGBZRXAQNUFO-UHFFFAOYSA-N
DB07029,,"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE",experimental,,,,,,391,,ZINC000016052317,CHEMBL390674,50207104,,,10157080,CC1=NC(OC2=CC=C(C=C2)N2C=CN=C2)=NC(OC2=CC3=C(OCO3)C=C2)=C1,"InChI=1S/C21H16N4O4/c1-14-10-20(28-17-6-7-18-19(11-17)27-13-26-18)24-21(23-14)29-16-4-2-15(3-5-16)25-9-8-22-12-25/h2-12H,13H2,1H3",QQBNDYARFVOEGW-UHFFFAOYSA-N
DB07030,,(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID,experimental,,,,,,393,,ZINC000013137481,CHEMBL241577,16239,,,16058630,OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=CC(=CC=C1)[N+]([O-])=O,"InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21)",VABIMMIJVWNHFI-UHFFFAOYSA-N
DB07031,,"3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid",experimental,,,,,,394,,ZINC000003871759,,31889,,,445455,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O,"InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1",AANFHDFOMFRLLR-LJQANCHMSA-N
DB07032,,2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL,experimental,,,,,,397,,ZINC000003816519,CHEMBL367588,50152627,,,656936,OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2,"InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H",SNNNDCMXZYWCCI-UHFFFAOYSA-N
DB07033,,5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE,experimental,,,,,,39Z,,ZINC000016052361,,,,,46937045,[H][C@](C)(C1=CC=CN1)C1=C2C=C(O)C=CC2=NC1=O,"InChI=1S/C14H12N2O2/c1-8(11-3-2-6-15-11)13-10-7-9(17)4-5-12(10)16-14(13)18/h2-8,15,17H,1H3/t8-/m0/s1",VWQVBIPGKIAUGA-QMMMGPOBSA-N
DB07034,,"2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID",experimental,,,,,,3A3,,ZINC000000243912,,,,,3506204,ON=C1C2=CC(OCC(O)=O)=CC=C2C2=C1C=C(OCC(O)=O)C=C2,"InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)",VOKATEXROYSXDW-UHFFFAOYSA-N
DB07035,,"(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE",experimental,,,,,,3AC,,ZINC000018498297,,,,,5459348,CCC1=C(C)NC(=O)C(I)=C1OC1=CC=CC(\C=C\C#N)=C1,"InChI=1S/C17H15IN2O2/c1-3-14-11(2)20-17(21)15(18)16(14)22-13-8-4-6-12(10-13)7-5-9-19/h4-8,10H,3H2,1-2H3,(H,20,21)/b7-5+",XMFUXIRAVPMVRS-FNORWQNLSA-N
DB07036,,"(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol",experimental,,,,,,3AS,,ZINC000014972457,CHEMBL236720,19990,,,16758226,[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1,"InChI=1S/C20H20F2O4/c1-25-10-12-6-14(24)7-15-16-8-20(21,22)9-17(16)18(26-19(12)15)11-2-4-13(23)5-3-11/h2-7,16-18,23-24H,8-10H2,1H3/t16-,17-,18-/m0/s1",GPFRMIHXGMVMGF-BZSNNMDCSA-N
DB07037,,(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL,experimental,,,,,,3B3,,ZINC000004046654,,14821,,,6540273,[H][C@](O)(CN)CNC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O,"InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1",MBZPCTWLFNYBND-QMMMGPOBSA-N
DB07038,,2-(cyclohexylamino)benzoic acid,experimental,,,,,,3B4,,ZINC000021999434,,,,,19826721,OC(=O)C1=CC=CC=C1NC1CCCCC1,"InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16)",JSXMFCCPQQJLCR-UHFFFAOYSA-N
DB07039,,(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide,experimental,,,,,,3B6,,ZINC000039037297,,26260,,,24892823,C[C@](O)(COC1=CC=C(C=C1)C#N)C(=O)NC1=CC=C(C#N)C(I)=C1,"InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1",RXSZCFAPSDTELY-SFHVURJKSA-N
DB07040,,"2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide",experimental,,,,,,3B8,,ZINC000034125053,,,,,10038928,NC(=O)C1=C(N)N=C2OC3=C(C=C(F)C=C3)C(=O)C2=C1,"InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19)",GCHMLYYPYFXLQB-UHFFFAOYSA-N
DB07041,,"N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide",experimental,,,,,,3B9,,ZINC000053683794,,,,,25023705,CC(C)(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NC2=NC(N)=NC(N)=C2C=C1,"InChI=1S/C24H24N6O2/c1-24(2,19-13-12-18-20(25)29-23(26)30-21(18)28-19)14-27-22(31)15-8-10-17(11-9-15)32-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,27,31)(H4,25,26,28,29,30)",FDJWFDQRPKKBFA-UHFFFAOYSA-N
DB07042,,"7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide",experimental,,,,,,3BA,,ZINC000053683798,,,,,25023706,CC(C)(C)C1=NC2=NC(N)=C(C=C2C(NCCC2=CNC=N2)=N1)C(N)=O,"InChI=1S/C17H22N8O/c1-17(2,3)16-24-14(21-5-4-9-7-20-8-22-9)11-6-10(13(19)26)12(18)23-15(11)25-16/h6-8H,4-5H2,1-3H3,(H2,19,26)(H,20,22)(H3,18,21,23,24,25)",XESUNWBIAADLPI-UHFFFAOYSA-N
DB07043,,"7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide",experimental,,,,,,3BD,,ZINC000053683800,,,,,25023707,CC(C)(C)C1=NC(N2CCN(CC2)C2=NC=CC=N2)=C2C=C(C(N)=O)C(N)=NC2=N1,"InChI=1S/C20H25N9O/c1-20(2,3)18-26-16-13(11-12(15(22)30)14(21)25-16)17(27-18)28-7-9-29(10-8-28)19-23-5-4-6-24-19/h4-6,11H,7-10H2,1-3H3,(H2,22,30)(H2,21,25,26,27)",CKLCIJCZOIDJQU-UHFFFAOYSA-N
DB07044,,"3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",experimental,,,,,,3BE,,ZINC000009668311,CHEMBL522157,31928,,,135579623,OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=CC(Br)=C2)C(O)=C1Br,"InChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+",VOWXAXNVAGLOGM-NGYBGAFCSA-N
DB07045,,"(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",experimental,,,,,,3BK,,ZINC000040913495,CHEMBL516357,32373,,,25195347,[H][C@]1(CO)O[C@@]([H])(N2C(NCC3=CC=C(Cl)C(Cl)=C3)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1",VBJKVZXRYLCYGQ-XNIJJKJLSA-N
DB07046,,"2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide",experimental,,,,,,3BM,,ZINC000034251101,CHEMBL573819,,,,25163987,[H][C@@](O)(CO)CONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1Cl,"InChI=1S/C16H14ClF2IN2O4/c17-11-5-8(20)1-4-13(11)21-15-10(2-3-12(18)14(15)19)16(25)22-26-7-9(24)6-23/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1",FCADPEDUULETPK-SECBINFHSA-N
DB07047,,"2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID",experimental,,,,,,3CA,,ZINC000016051803,CHEMBL123154,,,,5287495,OC(=O)C1=CC(=CC=C1O)C1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C13H8Cl2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)",SKAFZYDMDHPPJM-UHFFFAOYSA-N
DB07048,,"N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide",experimental,,,,,,3CC,,ZINC000013686386,,,,,23653514,[H][C@]1(CC2=C(C1)C=C(C=C2)S(N)(=O)=O)NC(=O)C(CCC)CCC,"InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1",XBYJCVDSFWJBSM-OAHLLOKOSA-N
DB07049,,(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine,experimental,,,,,,3CZ,,ZINC000024980987,CHEMBL427896,32573,,,24812720,[H][C@@]1(C)CN(CCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m1/s1",SOFGQQQVQZQJFS-MRXNPFEDSA-N
DB07050,,"5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide",experimental,,,,,,D8W,,ZINC000004194731,CHEMBL73962,10886,,,18794,NS(=O)(=O)C1=NN=C(NS(=O)(=O)C2=CC=CC=C2)S1,"InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)",PWDGTQXZLNDOKS-UHFFFAOYSA-N
DB07051,,"3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER",experimental,,,,,,3DE,,,,,,,46937046,CCOC(=O)C1=C(C)N([NH+]=C1C)C1=CC=CC=C1,"InChI=1S/C14H16N2O2/c1-4-18-14(17)13-10(2)15-16(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3/p+1",BUIZDUYEIRRDAV-UHFFFAOYSA-O
DB07052,,5'-S-ethyl-5'-thioadenosine,experimental,,,,,,3DH,,ZINC000013507220,CHEMBL195660,,,74046,10041129,[H][C@]1(CSCC)O[C@@]([H])(N2C=NC3=C2N=CN=C3N)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1",HMXHURAGFHWODC-WOUKDFQISA-N
DB07053,,2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID,experimental,,,,,,3EA,,ZINC000013677960,CHEMBL200495,50179236,,,9547900,CCCC1=C2ON=C(C2=CC=C1OCCCOC1=CC2=C(C=C1)N(CC(O)=O)C=C2)C(F)(F)F,"InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)",TWVYNPULGKGJOS-UHFFFAOYSA-N
DB07054,,(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL,experimental,,,,,,3FP,,ZINC000013537904,,,,,448994,[H][C@](O)(COC1=CC=C(NC2=NC=NC(NC3=C(F)C=CC(=C3)C(F)(F)F)=C2)C=C1)CN(C)C,"InChI=1S/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)/t16-/m1/s1",OSCWQKTUILTARV-MRXNPFEDSA-N
DB07055,,"2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione",experimental,,,,,,3G3,,ZINC000004206703,CHEMBL1213406,,,,1289593,O=C1N(CCC2=NN=NN2)C(=O)C2=CC=CC=C12,"InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15)",DEOJDUHRJBKATO-UHFFFAOYSA-N
DB07056,,"2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide",experimental,,,,,,3G4,,ZINC000034660905,CHEMBL495597,29841,,,11545694,CCN(CC)C(=O)CC1=CC=CC(NS(=O)(=O)C2=C(C)C(Cl)=CC=C2)=N1,"InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21)",JNWQLOFSMUGRNY-UHFFFAOYSA-N
DB07057,,(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid,experimental,,,,,,3GV,,ZINC000000213658,,,,,756618,[H][C@]1(CN(C(=O)C1)C1=C(O)C=CC=C1)C(O)=O,"InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1",FPQOSKXLHCTVED-ZETCQYMHSA-N
DB07058,,"5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione",experimental,,,,,,3HT,,ZINC000053683805,CHEMBL1230134,50452725,,,25181321,COC1=CC=C(C=C1)N1C=NC2=C1C=C(C=C2)C1=NNC(=S)O1,"InChI=1S/C16H12N4O2S/c1-21-12-5-3-11(4-6-12)20-9-17-13-7-2-10(8-14(13)20)15-18-19-16(23)22-15/h2-9H,1H3,(H,19,23)",QBVJMUOTMRYUKR-UHFFFAOYSA-N
DB07059,,"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE",experimental,,,,,,3IG,,ZINC000014966323,CHEMBL240355,17983,,,6914627,CCC1=NC(N)=NC(N)=C1C1=CC2=C(OC(C)(C)C(=O)N2CCNC(C)=O)C=C1,"InChI=1S/C20H26N6O3/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)",GBXSOZDYCSBLQX-UHFFFAOYSA-N
DB07060,,3-(INDOL-3-YL) LACTATE,experimental,,,,,,3IL,,ZINC000000039098,,,,194705,676157,[H][C@](O)(CC1=CNC2=C1C=CC=C2)C(O)=O,"InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1",XGILAAMKEQUXLS-JTQLQIEISA-N
DB07061,,"1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL",experimental,,,,,,3LP,,ZINC000013635187,CHEMBL1230144,,,,961704,[H][C@](O)(CNC1CCCCC1)CN1C2=C(CCCC2)C2=C1C=CC(C)=C2,"InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1",AXYFCRIRLKSCRR-SFHVURJKSA-N
DB07062,,"N-{3-[4-Hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",experimental,,,,,,3MS,,ZINC000100035122,CHEMBL401974,30410,,,,CC(C)CCN1N2C=CC=C2C(O)=C(C1=O)C1=NC2=C(C=C(NS(C)(=O)=O)C=C2)S(=O)(=O)N1,"InChI=1S/C20H23N5O6S2/c1-12(2)8-10-25-20(27)17(18(26)15-5-4-9-24(15)25)19-21-14-7-6-13(22-32(3,28)29)11-16(14)33(30,31)23-19/h4-7,9,11-12,22,26H,8,10H2,1-3H3,(H,21,23)",FTVCONULIKITPZ-UHFFFAOYSA-N
DB07063,245116-90-9,Lidorestat,investigational,,,,,,3NA,,ZINC000000538652,CHEMBL363387,16469,IDD 676,,157839,OC(=O)CN1C=C(CC2=NC3=C(F)C(F)=CC(F)=C3S2)C2=C1C=CC=C2,"InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)",KYHVTMFADJNSGS-UHFFFAOYSA-N
DB07064,,"(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE",experimental,,,,,,3QC,,ZINC000013986710,CHEMBL205786,24127,,,6857690,[H][C@@]1(CN(CC2=C1C=CC(C)=C2C)C(=O)N(C)C)C1=CC(O)=CC=C1,"InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1",HPVCRUIDFODATB-LJQANCHMSA-N
DB07065,,"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,3SC,,ZINC000033295963,,,,,44629555,ClC1=C(Cl)C(=CC=C1)C1=NC2=C(SC#N)C=NN2C(NCC2=CC=NC=C2)=C1,"InChI=1S/C19H12Cl2N6S/c20-14-3-1-2-13(18(14)21)15-8-17(24-9-12-4-6-23-7-5-12)27-19(26-15)16(10-25-27)28-11-22/h1-8,10,24H,9H2",AHPKUZJCNHGFQA-UHFFFAOYSA-N
DB07066,,"2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",experimental,,,,,,3TH,,ZINC000034855090,,,,,15991547,[H][C@]1(CC2=C(NC1=O)C=CC=C2)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,"InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22)/t11-/m1/s1",LJAHIGGEXIWVJG-LLVKDONJSA-N
DB07067,,"(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE",experimental,,,,,,3TP,,ZINC000014948434,CHEMBL374936,11658,,39955,23645698,[H][C@@](N)(C(=O)N1CCCC1)[C@]([H])(C)C1=NC(=NO1)C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C17H22N4O4S/c1-11(14(18)17(22)21-9-3-4-10-21)16-19-15(20-25-16)12-5-7-13(8-6-12)26(2,23)24/h5-8,11,14H,3-4,9-10,18H2,1-2H3/t11-,14-/m0/s1",SQCDMTZMCHZYGO-FZMZJTMJSA-N
DB07068,,"(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID",experimental,,,,,,3UN,,ZINC000016052093,,,,,6914660,CCOC(=O)C(CCNC(=O)OC(C)(C)C)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OCC,"InChI=1S/C21H32N2O9S/c1-6-30-17(24)21(18(25)31-7-2,12-13-22-19(26)32-20(3,4)5)14-15-8-10-16(11-9-15)23-33(27,28)29/h8-11,23H,6-7,12-14H2,1-5H3,(H,22,26)(H,27,28,29)",VHLMZWXTBDMYOE-UHFFFAOYSA-N
DB07069,1637-75-8,m-Hydroxyhippuric acid,experimental,,,,,,3XH,,ZINC000006534965,CHEMBL447627,50265459,,70824,450268,OC(=O)CNC(=O)C1=CC(O)=CC=C1,"InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",XDOFWFNMYJRHEW-UHFFFAOYSA-N
DB07070,,(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid,experimental,,,,,,401,,ZINC000028569243,CHEMBL202609,50176608,,,11711595,[H][C@](CC)(CC1=CC(CNC(=O)C2=C(F)C=C(C=C2)C(F)(F)F)=C(OC)C=C1)C(O)=O,"InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1",BDLLIPYDNFENMY-ZDUSSCGKSA-N
DB07071,,"(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenethyl)guanidine",experimental,,,,,,412,,ZINC000169748492,,,,,6857691,NC(N)=NCCC1=CC=C(C=C1)B1OC[C@@H](CO)O1,"InChI=1S/C12H18BN3O3/c14-12(15)16-6-5-9-1-3-10(4-2-9)13-18-8-11(7-17)19-13/h1-4,11,17H,5-8H2,(H4,14,15,16)/t11-/m1/s1",ZYCNKSJMJFKCBX-LLVKDONJSA-N
DB07072,,"(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE",experimental,,,,,,417,,ZINC000028822664,CHEMBL233360,50212927,,39959,11538992,[H][C@@]1(CC[C@]([H])(C2=C(F)C=C(F)C(F)=C2)[C@@]([H])(N)C1)N1CCN2C(C1)=NN=C2C(F)(F)F,"InChI=1S/C18H19F6N5/c19-12-7-14(21)13(20)6-11(12)10-2-1-9(5-15(10)25)28-3-4-29-16(8-28)26-27-17(29)18(22,23)24/h6-7,9-10,15H,1-5,8,25H2/t9-,10+,15-/m0/s1",CNKRZILQBKJWDS-WMFXKJRFSA-N
DB07073,,"5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one",experimental,,,,,,41A,,ZINC000000229432,CHEMBL469099,50261834,,,622262,CC1(C)CC2=C(SC(=N2)N2CCOCC2)C(=O)C1,"InChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3",DZXMARZBAUMWLK-UHFFFAOYSA-N
DB07074,,6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER,experimental,,,,,,421,,ZINC000038189526,,,,,6852141,COC(=O)C1=CC2=CC=C(C=C2C(NC(=O)C2=CC=CC(O)=C2C)=C1)C(N)=N,"InChI=1S/C21H19N3O4/c1-11-15(4-3-5-18(11)25)20(26)24-17-10-14(21(27)28-2)8-12-6-7-13(19(22)23)9-16(12)17/h3-10,25H,1-2H3,(H3,22,23)(H,24,26)",OUBRALHIKGRAMA-UHFFFAOYSA-N
DB07075,,3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE,experimental,,,,,,422,,ZINC000016052149,CHEMBL221181,50195215,,,135525556,NCC1CCN(CC2=CC3=C(NC(=C3)C3=NNC4=C3C=CC(=C4)C#N)C=C2)CC1,"InChI=1S/C23H24N6/c24-12-15-5-7-29(8-6-15)14-17-2-4-20-18(9-17)11-22(26-20)23-19-3-1-16(13-25)10-21(19)27-28-23/h1-4,9-11,15,26H,5-8,12,14,24H2,(H,27,28)",WBKUBPBCFYCSRT-UHFFFAOYSA-N
DB07076,,6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE,experimental,,,,,,426,,ZINC000002047484,CHEMBL111575,50138674,,,447734,NC(=N)C1=CC2=CC=C(C=C2C=C1)C(=O)NC1=CC=CC(OC2CCCC2)=C1,"InChI=1S/C23H23N3O2/c24-22(25)17-10-8-16-13-18(11-9-15(16)12-17)23(27)26-19-4-3-7-21(14-19)28-20-5-1-2-6-20/h3-4,7-14,20H,1-2,5-6H2,(H3,24,25)(H,26,27)",FWTQOPWAMQXIMI-UHFFFAOYSA-N
DB07077,,"(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenyl)guanidine",experimental,,,,,,427,,ZINC000169748493,,,,,6857692,NC(N)=NC1=CC=C(C=C1)B1OC[C@@H](CO)O1,"InChI=1S/C10H14BN3O3/c12-10(13)14-8-3-1-7(2-4-8)11-16-6-9(5-15)17-11/h1-4,9,15H,5-6H2,(H4,12,13,14)/t9-/m1/s1",PTRUIYBNRUNGLM-SECBINFHSA-N
DB07078,,"(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE",experimental,,,,,,43A,,ZINC000014956244,CHEMBL202930,14649,,,10125830,COC1=CC(=CC=C1O)C1=CC2=C(C=C1)\C(=C\C1=CC=CN1)C(=O)N2,"InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-",AYSXURJZVXBSRV-WJDWOHSUSA-N
DB07079,,3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol,experimental,,,,,,440,,ZINC000024961483,CHEMBL402747,26554,,,23627203,CC#CCOC1=CC=C(C=C1)S(=O)(=O)CCCS,"InChI=1S/C13H16O3S2/c1-2-3-9-16-12-5-7-13(8-6-12)18(14,15)11-4-10-17/h5-8,17H,4,9-11H2,1H3",CARKQNSZFCLNKM-UHFFFAOYSA-N
DB07080,293754-55-9,TO-901317,experimental,,,,,,444,,ZINC000001550221,CHEMBL62136,19993,,,447912,OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F,"InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2",SGIWFELWJPNFDH-UHFFFAOYSA-N
DB07081,,"(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE",experimental,,,,,,448,,ZINC000013982511,CHEMBL250787,50221443,,,23661697,[H][C@](N)(CC(=O)N1CCN2N=C(N=C2[C@@]1([H])C)C(F)(F)F)CC1=C(F)C=C(F)C(F)=C1,"InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10-/m1/s1",FDEXEPZGMKFCTG-PSASIEDQSA-N
DB07082,,"1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL",experimental,,,,,,44B,,ZINC000002047406,,,,,447911,OC(C1=CC=C(NCC(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F,"InChI=1S/C11H8F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h1-4,21-22H,5H2",VHDRSZOHKKZOQF-UHFFFAOYSA-N
DB07083,,beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide,experimental,,,,,,44U,,ZINC000039115027,CHEMBL490730,29377,,,25271577,[H][C@@](N)(C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCC,"InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1",HZKKJPDVZGOOPU-PZJWPPBQSA-N
DB07084,,"N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide",experimental,,,,,,451,,ZINC000004257041,,,,,3943211,CC(=O)NC1=CC=C2OCCOCCOC3=C(OCCOCCOC2=C1)C=CC=C3,"InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24)",YHKGWOJTUMJPNW-UHFFFAOYSA-N
DB07085,,2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID,experimental,,,,,,452,,ZINC000028644885,CHEMBL227745,,,,16221501,CC(=O)C1=CC(F)=C(Cl)C=C1NCC(=O)NC1=CC=CC=C1C(O)=O,"InChI=1S/C17H14ClFN2O4/c1-9(22)11-6-13(19)12(18)7-15(11)20-8-16(23)21-14-5-3-2-4-10(14)17(24)25/h2-7,20H,8H2,1H3,(H,21,23)(H,24,25)",LBMZLHCAPBBOFS-UHFFFAOYSA-N
DB07086,,"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",experimental,,,,,,458,,ZINC000013643322,CHEMBL193676,,,,6852154,[H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C,"InChI=1S/C16H20O3/c1-11-6-7-16(9-17)8-14(11)15(19-10-16)12-2-4-13(18)5-3-12/h2-6,14-15,17-18H,7-10H2,1H3/t14-,15+,16-/m0/s1",XXIFNRNIQJKFLP-XHSDSOJGSA-N
DB07087,,"4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",experimental,,,,,,459,,ZINC000036773869,,,,,46937048,[H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C,"InChI=1S/C17H24O3/c1-11-7-8-17(9-18)10-20-16(15(11)12(17)2)13-3-5-14(19)6-4-13/h3-6,11-12,15-16,18-19H,7-10H2,1-2H3/t11-,12+,15+,16+,17-/m0/s1",YMSZEVAWRFDVQX-GHVWTTSJSA-N
DB07088,,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide,experimental,,,,,,45U,,ZINC000039019414,,,,,24963035,[H][C@]1(CCCN1C(=O)COC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C20H28N4O3/c21-19(22)15-9-7-14(8-10-15)12-23-20(26)17-6-3-11-24(17)18(25)13-27-16-4-1-2-5-16/h7-10,16-17H,1-6,11-13H2,(H3,21,22)(H,23,26)/t17-/m0/s1",ZWXWAYUCJVQHOR-KRWDZBQOSA-N
DB07089,,N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide,experimental,,,,,,462,,ZINC000028826084,CHEMBL391087,50220319,,,11995761,CCCOC1=CC=C(C=C1)C1=CSC(=C1CC(=O)NC(N)=N)C1=CC=CC=C1Cl,"InChI=1S/C22H22ClN3O2S/c1-2-11-28-15-9-7-14(8-10-15)18-13-29-21(16-5-3-4-6-19(16)23)17(18)12-20(27)26-22(24)25/h3-10,13H,2,11-12H2,1H3,(H4,24,25,26,27)",VZSMTBLDWPKVRW-UHFFFAOYSA-N
DB07090,,(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE,experimental,,,,,,468,,ZINC000006700734,,,,,40636608,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=C(C)C(Cl)=CC=C1,"InChI=1S/C18H23ClN2O2/c1-12-15(19)8-5-9-16(12)20-18(23)13-10-17(22)21(11-13)14-6-3-2-4-7-14/h5,8-9,13-14H,2-4,6-7,10-11H2,1H3,(H,20,23)/t13-/m0/s1",NJNMAZNXKKBTPS-ZDUSSCGKSA-N
DB07091,,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide,experimental,,,,,,46U,,ZINC000039019313,,,,,24963036,[H][C@]1(CCCN1C(=O)COC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C21H30N4O3/c22-20(23)16-10-8-15(9-11-16)13-24-21(27)18-7-4-12-25(18)19(26)14-28-17-5-2-1-3-6-17/h8-11,17-18H,1-7,12-14H2,(H3,22,23)(H,24,27)/t18-/m0/s1",IWPMQJKXKKKSEY-SFHVURJKSA-N
DB07092,,"(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE",experimental,,,,,,474,,ZINC000100071168,CHEMBL437557,50221970,,,,[H][C@@](N)(C(=O)N1CCC(F)(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CN2N=CN=C2C=C1,"InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1",JNAZOMVWUGPITI-LNMJFAINSA-N
DB07093,,"{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID",experimental,,,,,,47D,,ZINC000001485771,CHEMBL159820,50056538,,,10450624,OC(=O)CN1C=CC(=O)N(CC2=NC3=CC(Cl)=CC=C3S2)C1=O,"InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21)",RQWICELTTDJODO-UHFFFAOYSA-N
DB07094,,"1-(2,2'-bithiophen-5-yl)methanamine",experimental,,,,,,492,,ZINC000000158800,CHEMBL538940,50294164,,,2776424,NCC1=CC=C(S1)C1=CC=CS1,"InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2",FHYTVXBZSXZMGD-UHFFFAOYSA-N
DB07095,,(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide,experimental,,,,,,49U,,ZINC000039019392,CHEMBL1198650,50307867,,,24963037,[H][C@]1(CCCN1C(=O)CCC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C21H30N4O2/c22-20(23)17-10-7-16(8-11-17)14-24-21(27)18-6-3-13-25(18)19(26)12-9-15-4-1-2-5-15/h7-8,10-11,15,18H,1-6,9,12-14H2,(H3,22,23)(H,24,27)/t18-/m0/s1",BNCHHUFGEOJCNH-SFHVURJKSA-N
DB07096,,"6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE",experimental,,,,,,4AN,,ZINC000000008558,CHEMBL338790,27498,,40071,1720,NC1=CC=C2C(=O)NC(=O)C3=CC=CC1=C23,"InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)",SSMIFVHARFVINF-UHFFFAOYSA-N
DB07097,,"4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",experimental,,,,,,4BB,,ZINC000040952223,CHEMBL492320,31934,,,135867737,CC(C)(C)C1=CC=C(C=C1)C(=O)N\N=C\C1=CC(Br)=C(O)C(Br)=C1O,"InChI=1S/C18H18Br2N2O3/c1-18(2,3)12-6-4-10(5-7-12)17(25)22-21-9-11-8-13(19)16(24)14(20)15(11)23/h4-9,23-24H,1-3H3,(H,22,25)/b21-9+",FVJUELRQTOWYRY-ZVBGSRNCSA-N
DB07098,,"4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",experimental,,,,,,4BE,,ZINC000040900664,CHEMBL474857,31927,,,135867733,OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C(Br)C=C2)C(O)=C1Br,"InChI=1S/C14H9Br3N2O3/c15-9-3-1-7(2-4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+",HKNUDJDAVYPTGD-NGYBGAFCSA-N
DB07099,,N-[4-(benzyloxy)phenyl]glycinamide,experimental,,,,,,4BG,,ZINC000011957004,CHEMBL479960,24243,,,22690393,NCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1,"InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)",YJPUATSIKWOSST-UHFFFAOYSA-N
DB07100,,"4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL",experimental,,,,,,4BH,,ZINC000003820735,CHEMBL380888,50182715,,,135422922,OC1=CC(O)=C(Cl)C=C1C1=C(C=NN1)N1CCNCC1,"InChI=1S/C13H15ClN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17)",RFPHEBUOQYYPDO-UHFFFAOYSA-N
DB07101,391210-10-9,PD-0325901,investigational,,,,,,4BM,,ZINC000003938683,CHEMBL507361,104963,MIRDAMETINIB,88249,9826528,[H][C@@](O)(CO)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1,"InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1",SUDAHWBOROXANE-SECBINFHSA-N
DB07102,,(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid,experimental,,,,,,4BQ,,ZINC000024975367,CHEMBL478381,24256,,,44629678,[H][C@](N)(CCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O,"InChI=1S/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1",BYSBXIPCDJNEBG-INIZCTEOSA-N
DB07103,,2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE,experimental,,,,,,4BR,,,,,,,5287517,[H][P@]([O-])(=O)CCOC1=CC=C(C)C=C1,"InChI=1S/C9H13O3P/c1-8-2-4-9(5-3-8)12-6-7-13(10)11/h2-5,13H,6-7H2,1H3,(H,10,11)/p-1",SATOOOGJLDLPLZ-UHFFFAOYSA-M
DB07104,,4-amino-N-[4-(benzyloxy)phenyl]butanamide,experimental,,,,,,4BS,,,CHEMBL478718,24263,,,22692237,NCCCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1,"InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)",QTWBKNVNGVYTNZ-UHFFFAOYSA-N
DB07105,,2-[2-(4-Chloro-Phenylsulfanyl)-Acetylamino]-3-(4-Guanidino-Phenyl)-Propionamide,experimental,,,,,,4CP,,,,,,,57484374,NC(N)=NC1=CC=C(CC(NC(=O)CSC2=CC=C(Cl)C=C2)C(N)=O)C=C1,"InChI=1S/C18H20ClN5O2S/c19-12-3-7-14(8-4-12)27-10-16(25)24-15(17(20)26)9-11-1-5-13(6-2-11)23-18(21)22/h1-8,15H,9-10H2,(H2,20,26)(H,24,25)(H4,21,22,23)",IEEYGOJDTRVYGR-UHFFFAOYSA-N
DB07106,68643-23-2,SKF-91488,experimental,,,,,,4DI,,ZINC000029747245,CHEMBL1230270,,,,5227,CN(C)CCCCSC(N)=N,"InChI=1S/C7H17N3S/c1-10(2)5-3-4-6-11-7(8)9/h3-6H2,1-2H3,(H3,8,9)",UFYJLJINUGVUHO-UHFFFAOYSA-N
DB07107,,(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE,experimental,,,,,,4EA,,ZINC000014957382,CHEMBL383541,15022,,,6914613,[H][C@@](N)(COC1=CN=CC(\C=C\C2=CC=NC=C2)=C1)CC1=CNC2=C1C=CC=C2,"InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1",SGHXFHRRWFLILP-XJDXJNMNSA-N
DB07108,,"4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID",experimental,,,,,,4FC,,ZINC000002382451,CHEMBL106708,50060993,,,2782689,OC(=O)C1=CC=C(C=C1)C1=CC=C(F)C=C1,"InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)",LXWNTLBMNCXRQN-UHFFFAOYSA-N
DB07109,537-73-5,Isoferulic acid,experimental,,,,,,4FE,,ZINC000000156055,CHEMBL233295,50241245,,27794,736186,COC1=C(O)C=C(\C=C\C(O)=O)C=C1,"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",QURCVMIEKCOAJU-HWKANZROSA-N
DB07110,,4-(4-FLUOROBENZYL)PIPERIDINE,experimental,,,,,,4FP,,ZINC000002512916,CHEMBL144527,15788,,,3699841,FC1=CC=C(CC2CCNCC2)C=C1,"InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2",JLAKCHGEEBPDQI-UHFFFAOYSA-N
DB07111,,"(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid",experimental,,,,,,4HD,,ZINC000028135475,,,,,24875301,[H][C@](O)(CCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1",IFRKCNPQVIJFAQ-HBUOOPIGSA-N
DB07112,,N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE,experimental,,,,,,4HG,,ZINC000024800213,CHEMBL509064,50264221,,,6914624,OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1,"InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)",FUMNLXHPILGSLC-UHFFFAOYSA-N
DB07113,,"(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE",experimental,,,,,,4IG,,ZINC000014966309,,,,,20843156,[H][C@]1(OC2=C(C=C(C=C2)C2=C(N)N=C(N)N=C2CC)N(CCCOC)C1=O)C1=CC(F)=CC(F)=C1,"InChI=1S/C24H25F2N5O3/c1-3-17-20(22(27)30-24(28)29-17)13-5-6-19-18(11-13)31(7-4-8-33-2)23(32)21(34-19)14-9-15(25)12-16(26)10-14/h5-6,9-12,21H,3-4,7-8H2,1-2H3,(H4,27,28,29,30)/t21-/m0/s1",KHZQOXQOUCGGGA-NRFANRHFSA-N
DB07114,,4-[(METHYLSULFONYL)AMINO]BENZOIC ACID,experimental,,,,,,4MB,,ZINC000000340465,CHEMBL339996,50324680,,,250653,CS(=O)(=O)NC1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)",SROHFTOYGFCJAF-UHFFFAOYSA-N
DB07115,,"N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide",experimental,,,,,,4MD,,ZINC000009051936,,,,,17414308,CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)",IPPUTOHDQOYDIL-UHFFFAOYSA-N
DB07116,,1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE,experimental,,,,,,4MF,,ZINC000053683824,,,,,46937051,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=CC2=C(C)C=CC=C12,"InChI=1S/C14H18NO6P/c1-9-3-2-4-11-10(9)5-6-15(11)14-7-12(16)13(21-14)8-20-22(17,18)19/h2-6,12-14,16H,7-8H2,1H3,(H2,17,18,19)/t12-,13+,14+/m0/s1",UXXYPWCUINVUHL-BFHYXJOUSA-N
DB07117,,"5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE",experimental,,,,,,4MR,,ZINC000016052323,,,,,10072851,O=C1NC(=O)C(N2CCN(CC2)C2=NC=CC=N2)(C(=O)N1)C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C24H22N6O4/c31-20-24(21(32)28-23(33)27-20,30-15-13-29(14-16-30)22-25-11-4-12-26-22)17-7-9-19(10-8-17)34-18-5-2-1-3-6-18/h1-12H,13-16H2,(H2,27,28,31,32,33)",FMKQJGOROFNCGM-UHFFFAOYSA-N
DB07118,90-33-5,Hymecromone,"['experimental', 'investigational']",,A05AX02,,5556,PA154081778,4MU,1401,ZINC000000058121,CHEMBL12208,50022178,CANTABILINE,17224,5280567,CC1=CC(=O)OC2=C1C=CC(O)=C2,"InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3",HSHNITRMYYLLCV-UHFFFAOYSA-N
DB07119,,1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL,experimental,,,,,,4NA,,ZINC000013645009,CHEMBL364092,50168323,,,6102690,OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1,"InChI=1S/C16H11ClO2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10/h1-9,18-19H",YHEHVRSGKUYDON-UHFFFAOYSA-N
DB07120,,"3-Carbamimidamido-1,1-diphenylurea",experimental,,,,,,4ND,,ZINC000006228838,,,,,4073054,NC(N)=NNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H15N5O/c15-13(16)17-18-14(20)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,20)(H4,15,16,17)",QLXOHIUDKNRVBZ-UHFFFAOYSA-N
DB07121,,"4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE",experimental,,,,,,4NH,,ZINC000016051763,CHEMBL202839,50180995,,,6102708,[H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CCN)C=C1)C(=O)NO,"InChI=1S/C17H23N3O5S2/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21)/t15-/m0/s1",AANXPIMDONQTQF-HNNXBMFYSA-N
DB07122,,1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine,experimental,,,,,,4PG,,ZINC000016052491,,,,,16758228,NC(N)=NC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18)",MERNPSIIBFTCAI-UHFFFAOYSA-N
DB07123,,N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE,experimental,,,,,,4PI,,ZINC000001295794,CHEMBL240530,25792,,,1415427,CC1=CC=C(C=C1)C(=O)N1CCC(CC2=CC=CC=C2)CC1,"InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3",DVOLWKZEIDCCES-UHFFFAOYSA-N
DB07124,,"(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE",experimental,,,,,,4PY,,ZINC000038612245,,,,,46937052,[H][C@@](N)(COC1=CN=CC(=C1)C1=NCC2=NN=CC2=C1)CC1=C2C=CCC=C2N=C1,"InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1,3-4,6-11,17H,2,5,12-13,23H2/t17-/m0/s1",CCIACUJJBPSOHE-KRWDZBQOSA-N
DB07125,,"4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid",experimental,,,,,,4RB,,ZINC000033943568,,,,,24180718,[H][C@@](CC)(CO)NC1=NN2C(C=C1)=NC=C2C1=CC=C(C=C1)C(O)=O,"InChI=1S/C17H18N4O3/c1-2-13(10-22)19-15-7-8-16-18-9-14(21(16)20-15)11-3-5-12(6-4-11)17(23)24/h3-9,13,22H,2,10H2,1H3,(H,19,20)(H,23,24)/t13-/m1/s1",KKZYGUVAFJCULH-CYBMUJFWSA-N
DB07126,,O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE,experimental,,,,,,4SP,,ZINC000003873287,CHEMBL319467,5544,,,4566,NS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,"InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)",OWXORKPNCHJYOF-UHFFFAOYSA-N
DB07127,,"{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID",experimental,,,,,,4UN,,ZINC000016052092,,,,40118,6914661,CC1=NC(=NO1)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C1=NOC(C)=N1,"InChI=1S/C21H21N5O5S/c1-14-22-19(24-30-14)21(20-23-15(2)31-25-20,12-16-6-4-3-5-7-16)13-17-8-10-18(11-9-17)26-32(27,28)29/h3-11,26H,12-13H2,1-2H3,(H,27,28,29)",SXDBFKLPNPUPRI-UHFFFAOYSA-N
DB07128,,"N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE",experimental,,,,,,501,,ZINC000028528950,CHEMBL380589,50172825,,,5287523,CCCCNC1=CC(C)=NC2=NC(NC3=CC(Cl)=CC=C3C)=NN12,"InChI=1S/C17H21ClN6/c1-4-5-8-19-15-9-12(3)20-17-22-16(23-24(15)17)21-14-10-13(18)7-6-11(14)2/h6-7,9-10,19H,4-5,8H2,1-3H3,(H,21,23)",ZTYBIJUAAWLJNU-UHFFFAOYSA-N
DB07129,,"(2R)-1-(2,6-dimethylphenoxy)propan-2-amine",experimental,,,,,,505,,ZINC000000020257,CHEMBL147507,50135883,,,180621,[H][C@](C)(N)COC1=C(C)C=CC=C1C,"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1",VLPIATFUUWWMKC-SNVBAGLBSA-N
DB07130,,4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,509,,ZINC000014955077,CHEMBL213758,14245,,,9547959,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC=C1)C(O)=O,"InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)",MVDWLRCTJUXCCB-UHFFFAOYSA-N
DB07131,,(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide,experimental,,,,,,50U,,ZINC000039018741,CHEMBL1198138,50307868,,,25134248,[H][C@]1(CCCN1C(=O)CCC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C22H32N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h8-9,11-12,16,19H,1-7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1",DOTBZTLJSXFKCP-IBGZPJMESA-N
DB07132,,1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA,experimental,,,,,,517,,ZINC000016052364,,,,,46937053,[H][C@](C)(C1=CC=CN1)C1=C2C=C(NC(N)=O)C=CC2=NC1=O,"InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-8,17H,1H3,(H3,16,18,21)/t8-/m0/s1",KJDBLWKTHMHALD-QMMMGPOBSA-N
DB07133,,D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide,experimental,,,,,,51U,,ZINC000039024292,,,,,25021183,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(C)=CC=C1,"InChI=1S/C22H27N3O2/c1-16-7-5-10-18(13-16)15-24-21(26)20-11-6-12-25(20)22(27)19(23)14-17-8-3-2-4-9-17/h2-5,7-10,13,19-20H,6,11-12,14-15,23H2,1H3,(H,24,26)/t19-,20+/m1/s1",CHKWABXWPATIIG-UXHICEINSA-N
DB07134,,"5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE",experimental,,,,,,521,,ZINC000016052256,CHEMBL394484,,,,16058639,ClC1=C(SC=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1,"InChI=1S/C12H9ClN2O3S2/c13-11-9(15-6-10(16)14-20(15,17)18)7-19-12(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,16)",LCPRWBWCEGWNKF-UHFFFAOYSA-N
DB07135,,"(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE",experimental,,,,,,524,,ZINC000100071163,CHEMBL400841,50221979,,,,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CC=CC2=NC=NN12,"InChI=1S/C22H31FN6O2/c1-27(2)21(30)19(20(24)22(31)28-11-10-16(23)12-28)15-8-6-14(7-9-15)17-4-3-5-18-25-13-26-29(17)18/h3-5,13-16,19-20H,6-12,24H2,1-2H3/t14-,15-,16-,19-,20-/m0/s1",ZPWDKZWKUOYOHA-UKSSEWCLSA-N
DB07136,607837-17-2,BX-528,experimental,,,,,,528,,ZINC000016052370,,,,,11705956,CC(C)[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)P(O)(=O)C[C@H](C(O)=O)C1=CC=CC(CN)=C1,"InChI=1S/C23H33N2O6PS/c1-17(2)22(25-33(30,31)13-7-11-18-8-4-3-5-9-18)32(28,29)16-21(23(26)27)20-12-6-10-19(14-20)15-24/h3-6,8-10,12,14,17,21-22,25H,7,11,13,15-16,24H2,1-2H3,(H,26,27)(H,28,29)/t21-,22+/m0/s1",WFFOOKSVFDUPDH-FCHUYYIVSA-N
DB07137,,(2S)-N-[(3E)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxo-1-imidazolidinyl)phenyl]propanamide,experimental,,,,,,529,,ZINC000103527600,,,,,,C[C@H](C(=O)\N=C1/C=C(N=N1)C1CC1)C1=CC=C(C=C1)N1CCNC1=O,"InChI=1S/C18H19N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)/b20-16+/t11-/m0/s1",JPAWNIKVRIVDBT-NABPABCNSA-N
DB07138,209410-46-8,Neflamapimod,investigational,,,,,,52P,,ZINC000013493055,CHEMBL119385,15244,NEFLAMAPIMOD,90528,3038525,FC1=CC(F)=C(SC2=NN3C=NC(=O)C(=C3C=C2)C2=C(Cl)C=CC=C2Cl)C=C1,InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H,VEPKQEUBKLEPRA-UHFFFAOYSA-N
DB07139,,3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid,experimental,,,,,,53N,,ZINC000039131891,,,,,25210476,OC(=O)CCC1=CC=C(S1)C1=CC(=CC=C1)[N+]([O-])=O,"InChI=1S/C13H11NO4S/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-4,6,8H,5,7H2,(H,15,16)",IHKCOKRMJRDWAL-UHFFFAOYSA-N
DB07140,,"5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",experimental,,,,,,53R,,ZINC000040392373,CHEMBL459177,25826,,,25093369,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=CC=C1,"InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)/t14-/m0/s1",JPENSYBRTSIYGO-AWEZNQCLSA-N
DB07141,,"5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",experimental,,,,,,53S,,ZINC000045299615,CHEMBL575218,50298814,,,44144378,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=C(C)C=C1,"InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)/t15-/m0/s1",QVXYJVHNRPNRJL-HNNXBMFYSA-N
DB07142,,"5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",experimental,,,,,,53T,,ZINC000045299453,CHEMBL576960,50298810,,,44144379,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC(C)=CC(C)=C1,"InChI=1S/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)/t16-/m0/s1",ATFDKOLABYIYCC-INIZCTEOSA-N
DB07143,,D-phenylalanyl-N-benzyl-L-prolinamide,experimental,,,,,,53U,,ZINC000053165085,CHEMBL116597,50133518,,,25113125,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC=C1,"InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1",MEPJWLFTTFHOQO-MOPGFXCFSA-N
DB07144,,"5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",experimental,,,,,,53V,,ZINC000040860441,CHEMBL573077,50298828,,,44144380,[H][C@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=CC(=C1)C1=C(C)C=CC=C1C,"InChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)/t14-/m0/s1",XZXVRKHUCSXVBM-AWEZNQCLSA-N
DB07145,,(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE,experimental,,,,,,541,,ZINC000003820969,CHEMBL148169,26526,,40083,6914621,[H][C@](C)(N1CC[C@](C)(C1=O)C1=CC=C(OCC2=CC(C)=NC3=CC=CC=C23)C=C1)C(=O)NO,"InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1",YDMIPBHQKFOFQW-NSYGIPOTSA-N
DB07146,,"2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE",experimental,,,,,,547,,ZINC000023359504,CHEMBL392990,17716,,,11553058,C(CN1CCNCC1)NC1=CC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C25H26N4O/c1-3-7-19(8-4-1)22-23-21(27-15-18-29-16-13-26-14-17-29)11-12-28-25(23)30-24(22)20-9-5-2-6-10-20/h1-12,26H,13-18H2,(H,27,28)",QUIQCYFSBGOBKE-UHFFFAOYSA-N
DB07147,,"methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate",experimental,,,,,,550,,ZINC000029135377,CHEMBL410462,23484,,,24800833,[H][C@@]1(C[C@]1(CC1=CC=C(OCC2=CC(C)=NC3=C2C=CC=C3)C=C1)C(=O)OC)C(=O)NO,"InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1",HJWMYFBKJRVWJY-YKSBVNFPSA-N
DB07148,,"(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one",experimental,,,,,,552,,ZINC000039125249,,,,,46937054,[H][C@]1(C=CC2=C(Cl)N=C(OCC3=CC=C(F)C=C3)C(=O)N12)C(=O)N1CCCC1,"InChI=1S/C19H17ClFN3O3/c20-16-14-7-8-15(18(25)23-9-1-2-10-23)24(14)19(26)17(22-16)27-11-12-3-5-13(21)6-4-12/h3-8,15H,1-2,9-11H2/t15-/m0/s1",HPAFVLDARQIHPU-HNNXBMFYSA-N
DB07149,,"(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one",experimental,,,,,,553,,ZINC000039144346,CHEMBL524266,27380,,,16757525,[H][C@]1(CCF)CNC(=O)C2=C1NC(=C2)C1=NC(N)=NC=C1,"InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1",LCBAQTCTQXHTJG-ZETCQYMHSA-N
DB07150,,4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME,experimental,,,,,,555,,ZINC000016052260,CHEMBL395308,,,,135440536,O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1,"InChI=1S/C17H13NO2/c19-14-8-5-12(6-9-14)16-10-7-13(11-18-20)15-3-1-2-4-17(15)16/h1-11,19-20H/b18-11+",VYQQTWUZKPWPRL-WOJGMQOQSA-N
DB07151,,4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one,experimental,,,,,,55E,,ZINC000039122795,,,,,135908253,CC1=CC(=CC=C1O)C1=NC(=O)N=C(C1)C1=CC=CC=C1,"InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3",AZXKZZMGLACNIJ-UHFFFAOYSA-N
DB07152,,N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide,experimental,,,,,,55F,,ZINC000039716195,CHEMBL519939,50255179,,,25138294,CC(=O)NC1=NC(=C(N1)C1=CC=C2N=CC=NC2=C1)C1=NC(C)=C(F)C=C1,"InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)",TYPILNNEZPSNTI-UHFFFAOYSA-N
DB07153,,"6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine",experimental,,,,,,55V,,ZINC000053683841,CHEMBL1230365,50329608,,,25187896,COC1=CC(=CC(OC)=C1OC)C(C)(C)C#CC1=C(C)N=C(N)N=C1N,"InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23)",FJNFXXGWYVMQNA-UHFFFAOYSA-N
DB07154,,"(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE",experimental,,,,,,565,,ZINC000003949268,CHEMBL385711,13519,,,10450114,[H][C@](N)(CC(=O)N1CCCNC(=O)[C@@]1([H])C)CC1=C(F)C=C(F)C(F)=C1,"InChI=1S/C16H20F3N3O2/c1-9-16(24)21-3-2-4-22(9)15(23)7-11(20)5-10-6-13(18)14(19)8-12(10)17/h6,8-9,11H,2-5,7,20H2,1H3,(H,21,24)/t9-,11-/m1/s1",SWKGZJAAGSVROJ-MWLCHTKSSA-N
DB07155,,(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE,experimental,,,,,,566,,ZINC000002943677,,,,40149,2266114,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC=C1,"InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1",BVUSHGJZBZMDML-ZDUSSCGKSA-N
DB07156,,"(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione",experimental,,,,,,575,,ZINC000018068793,CHEMBL263143,,,,,BrC1=CC=C2C(=O)NC(=O)\C(=C/NC3=CC=C(CN4CCCC4)C=C3)C2=C1,"InChI=1S/C21H20BrN3O2/c22-15-5-8-17-18(11-15)19(21(27)24-20(17)26)12-23-16-6-3-14(4-7-16)13-25-9-1-2-10-25/h3-8,11-12,23H,1-2,9-10,13H2,(H,24,26,27)/b19-12-",JFEKAVPMVOLVTH-UNOMPAQXSA-N
DB07157,,"(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE",experimental,,,,,,578,,ZINC000016052375,,,,,23653502,[H][C@](NC(=O)OCC1=CC=CC=C1)(C(C)C)[P@@](O)(=O)O[C@]([H])(C(O)=O)C1=CC(CN)=CC=C1,"InChI=1S/C21H27N2O7P/c1-14(2)19(23-21(26)29-13-15-7-4-3-5-8-15)31(27,28)30-18(20(24)25)17-10-6-9-16(11-17)12-22/h3-11,14,18-19H,12-13,22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19+/m0/s1",RTFGEFWZCFCODU-RBUKOAKNSA-N
DB07158,,"5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE",experimental,,,,,,582,,ZINC000005686913,,,,,708346,CCN1C(=O)C2=C(NN=C2C)C2=C1C=CC=C2,"InChI=1S/C13H13N3O/c1-3-16-10-7-5-4-6-9(10)12-11(13(16)17)8(2)14-15-12/h4-7H,3H2,1-2H3,(H,14,15)",ASEHARDUZDZEKS-UHFFFAOYSA-N
DB07159,841290-80-0,Tamatinib,"['experimental', 'investigational']",,,,,,585,,ZINC000006745792,CHEMBL475251,60665,R-406,91348,11213558,COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OC,"InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)",NHHQJBCNYHBUSI-UHFFFAOYSA-N
DB07160,,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE",experimental,,,,,,59A,,ZINC000014961462,CHEMBL1230379,16497,,,23647357,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)C(O)=O,"InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1",MZJYLQZZISBOTF-JBDRJPRFSA-N
DB07161,,5-phenyl-1H-indazol-3-amine,experimental,,,,,,5B2,,ZINC000039187975,CHEMBL500779,50254831,,,11492186,NC1=NNC2=CC=C(C=C12)C1=CC=CC=C1,"InChI=1S/C13H11N3/c14-13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)",ZCUSNQPYUNLATP-UHFFFAOYSA-N
DB07162,,4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide,experimental,,,,,,5B3,,ZINC000039187976,CHEMBL480411,50254911,,,24963047,CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(NN=C2N)C=C1,"InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20)",KFJCXIOVAGJCKB-UHFFFAOYSA-N
DB07163,,5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE,experimental,,,,,,5BN,,ZINC000001553167,CHEMBL82767,10122,,,447766,NCCNC1=CC(C2=CC=CN2)=C2C(=O)NC3=CC=C(F)C1=C23,"InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23)",CQCXWWWNUFQYJS-UHFFFAOYSA-N
DB07164,,"N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine",experimental,,,,,,5BP,,ZINC000020149019,CHEMBL525194,50293162,,,6918710,C1CC1NC1=NC(=CC=N1)C1=C2C=CC=NN2N=C1,"InChI=1S/C13H12N6/c1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h1-2,5-9H,3-4H2,(H,14,17,18)",CAGHIASAHLPQMS-UHFFFAOYSA-N
DB07165,,N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE,experimental,,,,,,5CB,,ZINC000053683847,,,,,46937056,[H][C@@]1(Cl)CN=C(NCCC2=NC=CC=C2)[C@]([H])(O)N1CC(=O)NCC1=CSC2=CC=C(Cl)C=C12,"InChI=1S/C22H23Cl2N5O2S/c23-15-4-5-18-17(9-15)14(13-32-18)10-27-20(30)12-29-19(24)11-28-21(22(29)31)26-8-6-16-3-1-2-7-25-16/h1-5,7,9,13,19,22,31H,6,8,10-12H2,(H,26,28)(H,27,30)/t19-,22-/m0/s1",SOBGXPPOYFFGTK-UGKGYDQZSA-N
DB07167,,5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE,experimental,,,,,,5CN,,ZINC000014965469,CHEMBL400754,17750,,,9884318,CC1CCN(CC1)C1=CC=C(CO)C=C1NC(=O)C1=CC=C(O1)C#N,"InChI=1S/C19H21N3O3/c1-13-6-8-22(9-7-13)17-4-2-14(12-23)10-16(17)21-19(24)18-5-3-15(11-20)25-18/h2-5,10,13,23H,6-9,12H2,1H3,(H,21,24)",NNPCFFIJVKYGHR-UHFFFAOYSA-N
DB07168,,[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile,experimental,,,,,,5CP,,ZINC000024963535,,,,,23624249,CNC1=NC(NC2=CC=C(CC#N)C=C2)=NC(NC2=NNC(=C2)C2CC2)=C1,"InChI=1S/C19H20N8/c1-21-16-11-17(23-18-10-15(26-27-18)13-4-5-13)25-19(24-16)22-14-6-2-12(3-7-14)8-9-20/h2-3,6-7,10-11,13H,4-5,8H2,1H3,(H4,21,22,23,24,25,26,27)",MFMSRHREFZCFSN-UHFFFAOYSA-N
DB07169,,"5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE",experimental,,,,,,5EE,,ZINC000016051794,,,,,46937057,[H][C@]1(CC2=CC=C(Cl)C(Cl)=C2)SC(=S)N(NS(=O)(=O)C2=CC=CS2)C1=O,"InChI=1S/C14H10Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-6,11,17H,7H2/t11-/m1/s1",GAOOBYJHWAKZKU-LLVKDONJSA-N
DB07170,,"5'-FLUORO-2',5'-DIDEOXYADENOSINE",experimental,,,,,,5F1,,ZINC000016051853,,,,,15991535,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CF)N1C=NC2=C1N=CN=C2N,"InChI=1S/C10H12FN5O2/c11-2-6-5(17)1-7(18-6)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m0/s1",QKUCDAPGYBWICH-RRKCRQDMSA-N
DB07171,,"5-(2-hydroxyethyl)nonane-1,9-diol",experimental,,,,,,5HD,,ZINC000053683860,,,,,25058136,OCCCCC(CCO)CCCCO,"InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2",VICIXNZSEUYGFV-UHFFFAOYSA-N
DB07172,,"(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid",experimental,,,,,,5HE,,ZINC000008860440,,,,,24875302,[H][C@@](O)(CCCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1",FTAGQROYQYQRHF-CBVHGRPESA-N
DB07173,,"7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE",experimental,,,,,,5I5,,,CHEMBL66280,14486,,,9842606,[H][C@]1(C)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1",NTXUAWGNGBSCRS-TZQXKBMNSA-N
DB07174,,"6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE",experimental,,,,,,5IG,,ZINC000014966322,CHEMBL400431,17982,,,6914629,CCC1=C(C(N)=NC(N)=N1)C1=CC=C2OC(C)(C)C(=O)N(CCCOC)C2=C1,"InChI=1S/C20H27N5O3/c1-5-13-16(17(21)24-19(22)23-13)12-7-8-15-14(11-12)25(9-6-10-27-4)18(26)20(2,3)28-15/h7-8,11H,5-6,9-10H2,1-4H3,(H4,21,22,23,24)",WPAPODFGOZXFLG-UHFFFAOYSA-N
DB07175,,N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide,experimental,,,,,,5MS,,ZINC000039205138,CHEMBL469117,26484,,,25138203,CC1=CC=C(NC2=CC(=NC=N2)C2=CC=CC=C2)C=C1NS(C)(=O)=O,"InChI=1S/C18H18N4O2S/c1-13-8-9-15(10-16(13)22-25(2,23)24)21-18-11-17(19-12-20-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,20,21)",CXQRKICWSCAUGW-UHFFFAOYSA-N
DB07176,84-89-9,1-Naphthylamine-5-sulfonic acid,experimental,,,,,,5NS,,ZINC000001683633,CHEMBL589370,50308731,,183820,6793,NC1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O,"InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)",DQNAQOYOSRJXFZ-UHFFFAOYSA-N
DB07177,,"(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID",experimental,,,,,,5OP,,,,,,,,[H]C(CCCC(O)=O)=C([H])CC1C(\C([H])=C(/[H])C(=O)CCCCC)C(O)CC1=O,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+",YRTJDWROBKPZNV-SFTOQRQMSA-N
DB07178,,5-PENTYL-2-PHENOXYPHENOL,experimental,,,,,,5PP,,ZINC000014961108,CHEMBL1224745,16296,,,5274976,CCCCCC1=CC(O)=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3",OJLYTHOKCYLPMA-UHFFFAOYSA-N
DB07179,,"3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide",experimental,,,,,,5SC,,ZINC000024931709,CHEMBL249334,,,,11304412,CC1=C(C=CC=C1)C1=NC2=C(Br)C=NN2C(NCC2=C[N+]([O-])=CC=C2)=C1,"InChI=1S/C19H16BrN5O/c1-13-5-2-3-7-15(13)17-9-18(25-19(23-17)16(20)11-22-25)21-10-14-6-4-8-24(26)12-14/h2-9,11-12,21H,10H2,1H3",DXUJQXZHHGJMFM-UHFFFAOYSA-N
DB07180,,"5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide",experimental,,,,,,5Z5,,ZINC000033295966,,,,,11840911,[H]N(C)C(=O)C1=C(C)N([H])C(\C=C2/C(=O)N([H])C3=C2C=C(Cl)C=C3)=C1C,"InChI=1S/C17H16ClN3O2/c1-8-14(20-9(2)15(8)17(23)19-3)7-12-11-6-10(18)4-5-13(11)21-16(12)22/h4-7,20H,1-3H3,(H,19,23)(H,21,22)/b12-7-",FIRPCWHHIWFKCD-GHXNOFRVSA-N
DB07181,,"4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide",experimental,,,,,,605,,ZINC000024981641,CHEMBL452289,50244011,,,24832041,[H][C@@](N)(CC1=CC(F)=CC=C1F)C1=CC=C(C=C1)C1=CC=CC(=C1)C(N)=O,"InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1",JYKFWUXBFJJDTP-HXUWFJFHSA-N
DB07182,,(2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid,experimental,,,,,,606,,,,,,,10172821,NC(N)=NC1=CC=CC(=C1)C(CP(O)(=O)CCCC1=CC=CC=C1)C(O)=O,"InChI=1S/C19H24N3O4P/c20-19(21)22-16-10-4-9-15(12-16)17(18(23)24)13-27(25,26)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17H,5,8,11,13H2,(H,23,24)(H,25,26)(H4,20,21,22)",HFRHWTYCVGKGIE-UHFFFAOYSA-N
DB07183,,N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide,experimental,,,,,,608,,,CHEMBL385178,15019,,,16040289,O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=C(NCC2=CC=NC=C2)N=CC=C1,"InChI=1S/C24H20N4O2/c29-24(22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18)28-19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-16H,17H2,(H,26,27)(H,28,29)",CPVRYQAOUPSUDO-UHFFFAOYSA-N
DB07184,,"6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione",experimental,,,,,,612,,ZINC000002008218,CHEMBL141966,,,62748,444706,CCOCN1C(=O)NC(=O)C(C(C)C)=C1SC1CCCCC1,"InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20)",JKXLRLDPSLZEDD-UHFFFAOYSA-N
DB07185,,2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID,experimental,,,,,,617,,ZINC000000098226,CHEMBL227439,,,,708990,OC(=O)C1=C(NC(=O)COC2=CC=C(Cl)C=C2)C=CC=C1,"InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)",LXSDGQYDSDIUPN-UHFFFAOYSA-N
DB07186,,"4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE",experimental,,,,,,626,,ZINC000016052328,,,,,11963557,CN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1=NNC2=CN(C=C12)C(=O)CC1=CC=CS1,"InChI=1S/C23H24N6O2S/c1-27-8-10-28(11-9-27)17-6-4-16(5-7-17)23(31)24-22-19-14-29(15-20(19)25-26-22)21(30)13-18-3-2-12-32-18/h2-7,12,14-15,25H,8-11,13H2,1H3,(H,24,26,31)",TYYNSDQVFIOSFH-UHFFFAOYSA-N
DB07187,463976-07-0,CP-744809,experimental,,,,,,62P,,,CHEMBL240725,16315,,,6420118,CC1=C(OC2=CC=C(Cl)C=C12)S(=O)(=O)C1=NNC(=O)C=C1,"InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)",FXFPQPNUMWQRAO-UHFFFAOYSA-N
DB07188,,"(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE",experimental,,,,,,641,,ZINC000001103943,,,,,1283969,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC(Cl)=CC(Cl)=C1,"InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1",YUFADRZDHJKVOT-NSHDSACASA-N
DB07189,,"(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid",experimental,,,,,,642,,ZINC000040891582,,,,,25049750,[H][C@@]1(C[C@@]11C[C@]([H])(NC1=O)C1=CC=C(OCC2=CC(=NC3=C2C=CC=C3)C2=CC=CC=C2)C=C1)C(O)=O,"InChI=1S/C29H24N2O4/c32-27(33)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)35-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26H,15-17H2,(H,31,34)(H,32,33)/t23-,26+,29-/m1/s1",BFZXMIUWGSTUAL-ZSOKXDGFSA-N
DB07190,,3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide,experimental,,,,,,64U,,ZINC000039145543,CHEMBL1198500,50307857,,,42615254,[H][C@@](N)(CC1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,"InChI=1S/C21H30ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h4,8-9,12,15,18-19H,1-3,5-7,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1",JGFCNVHEEMBVJG-MOPGFXCFSA-N
DB07192,,(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE,experimental,,,,,,665,,ZINC000000851723,,,,,1116191,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC(Br)=C1,"InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)/t12-/m0/s1",MVPIURCUINFSAB-LBPRGKRZSA-N
DB07193,,"(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine",experimental,,,,,,677,,ZINC000034635756,CHEMBL1197118,50489022,,,11710963,[H][C@]1(N)CN2C(C[C@]1([H])C1=C(F)C=C(F)C(F)=C1)=NC1=CC(=CC=C21)S(C)(=O)=O,"InChI=1S/C18H16F3N3O2S/c1-27(25,26)9-2-3-17-16(4-9)23-18-6-11(15(22)8-24(17)18)10-5-13(20)14(21)7-12(10)19/h2-5,7,11,15H,6,8,22H2,1H3/t11-,15+/m1/s1",HJJAYSSCWGUPKO-ABAIWWIYSA-N
DB07194,,"2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide",experimental,,,,,,685,,ZINC000039194443,CHEMBL512172,50275935,,,25113172,[H][C@](C)(CO)NC(=O)C1=C(C)N=C(S1)C1=NC(NC2=CC(C)=CC(C)=C2)=NC=C1,"InChI=1S/C20H23N5O2S/c1-11-7-12(2)9-15(8-11)24-20-21-6-5-16(25-20)19-23-14(4)17(28-19)18(27)22-13(3)10-26/h5-9,13,26H,10H2,1-4H3,(H,22,27)(H,21,24,25)/t13-/m0/s1",PEGXADGTBNRSGV-ZDUSSCGKSA-N
DB07195,,"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",experimental,,,,,,689,,ZINC000038190856,,,,,6857699,[H][C@]1(C)C=C(C)[C@]2([H])[C@]([H])(C)[C@@]1(CO)CO[C@]2([H])C1=CC=C(O)C=C1,"InChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-4-6-15(20)7-5-14/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3/t12-,13-,16+,17+,18-/m0/s1",DTZWKYVREFMAJA-QXWBOSQLSA-N
DB07196,,N-methyl-1-(2-thiophen-2-ylphenyl)methanamine,experimental,,,,,,692,,ZINC000003880928,CHEMBL549343,50294171,,,7060565,CNCC1=CC=CC=C1C1=CC=CS1,"InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3",MRKJJEJYTBOUTH-UHFFFAOYSA-N
DB07197,,4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,694,,ZINC000014955095,CHEMBL214502,14250,,,9547958,OC(=O)COC1=C(SC(=C1Br)C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19)",QZWUMLLRAVGBHC-UHFFFAOYSA-N
DB07198,,5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE,experimental,,,,,,697,,ZINC000016051646,CHEMBL363498,50152624,,,656952,OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N,"InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H",GGEKOZPXKBYLNK-UHFFFAOYSA-N
DB07199,,"(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID",experimental,,,,,,698,,ZINC000016052234,CHEMBL221046,,,,15991559,[H][C@@]1(C[C@](CC(C)C)(N(C(=O)C2=CC=C(C=C2)C(C)(C)C)[C@@]1([H])C1=NC=CS1)C(O)=O)C(O)=O,"InChI=1S/C24H30N2O5S/c1-14(2)12-24(22(30)31)13-17(21(28)29)18(19-25-10-11-32-19)26(24)20(27)15-6-8-16(9-7-15)23(3,4)5/h6-11,14,17-18H,12-13H2,1-5H3,(H,28,29)(H,30,31)/t17-,18+,24-/m0/s1",SWYJAQWTBADJTB-RHGYRFJNSA-N
DB07200,,"(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID",experimental,,,,,,699,,ZINC000016052233,CHEMBL180948,50162519,,,5275422,[H][C@@]1(C[C@](CC(C)C)(N(C(=O)C2=CC=C(C=C2)C(F)(F)F)[C@@]1([H])C1=CC=CS1)C(O)=O)C(O)=O,"InChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1",ZNCZVHCYBGHCHA-XPIZARPCSA-N
DB07201,,(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid,experimental,,,,,,6BD,,ZINC000053682981,,,,,46937059,[H][C@](C)(CON=C1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O,"InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1",ZHFDVDMCVXUGGF-NSHDSACASA-N
DB07202,,6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE,experimental,,,,,,6C3,,ZINC000020149013,CHEMBL257705,17751,,,135457822,CC1=NOC(=C1)C1=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C19H13ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)",QINNOQKHPLWGBK-UHFFFAOYSA-N
DB07203,,6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE,experimental,,,,,,6CP,,,CHEMBL341273,5531,,,4565,ClC1=CC=CC(NC2=NC(OCC3CCCCC3)=C3NC=NC3=N2)=C1,"InChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24)",OUEGMEMDEAOAEG-UHFFFAOYSA-N
DB07204,,"(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE",experimental,,,,,,6EA,,ZINC000014957568,CHEMBL207496,15066,,,6914614,[H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2,"InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1",DQIXTEDFNFZMCM-SFHVURJKSA-N
DB07205,,N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE,experimental,,,,,,6IA,,ZINC000034390682,,,,,10180201,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C15H24N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h6-9,11-12,15,21-22H,3-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1",GZJXCRHEMLAMRA-SDBHATRESA-N
DB07206,,6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE,experimental,,,,,,6IP,,ZINC000011525586,CHEMBL221118,15779,,,11586735,NC1=NC(CCC2=CC=C3C=CNC3=C2)=CC=C1,"InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18)",OSHSZKRWKLQZBV-UHFFFAOYSA-N
DB07207,,2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE,experimental,,,,,,6NH,,ZINC000016052038,CHEMBL204997,50182959,,,135403661,NC(=N)C1=CC=C2NC(=NC2=C1)C1=NNC(=C1O)C1=CC=CC=C1,"InChI=1S/C17H14N6O/c18-16(19)10-6-7-11-12(8-10)21-17(20-11)14-15(24)13(22-23-14)9-4-2-1-3-5-9/h1-8,24H,(H3,18,19)(H,20,21)(H,22,23)",CKSIVONWCYACAP-UHFFFAOYSA-N
DB07208,,"(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid",experimental,,,,,,6OB,,ZINC000053682984,,,,,46937060,[H][C@](O)(C\C=C/CCCCC)\C=C\CC(=O)CCCCC(O)=O,"InChI=1S/C18H30O4/c1-2-3-4-5-6-7-11-16(19)13-10-14-17(20)12-8-9-15-18(21)22/h6-7,10,13,16,19H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10+/t16-/m0/s1",OJFOOCZBVPQYRS-PSDPTOBYSA-N
DB07209,,"(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid",experimental,,,,,,6OC,,ZINC000053682988,,,,,46937061,[H][C@@](O)(CC(=O)CCCCC(O)=O)\C=C/C\C=C/CCCCC,"InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-12-16(19)15-17(20)13-10-11-14-18(21)22/h6-7,9,12,16,19H,2-5,8,10-11,13-15H2,1H3,(H,21,22)/b7-6-,12-9-/t16-/m0/s1",MLHUENSFQCPBQH-ZBKJIUGYSA-N
DB07210,,"3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,6SC,,ZINC000028957141,CHEMBL401377,105234,,,10339710,BrC1=C2N=C(C=C(NCC3=CC=NC=C3)N2N=C1)C1=CC=CC=C1,"InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-6-8-20-9-7-13)10-16(23-18(15)24)14-4-2-1-3-5-14/h1-10,12,21H,11H2",JECHSYMSTXETFI-UHFFFAOYSA-N
DB07211,,(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE,experimental,,,,,,701,,ZINC000016052246,CHEMBL391640,50206984,,,10095865,C\C(=C/S(=O)(=O)N[C@@]1([H])CCN([C@](C)([H])C(=O)N2CCOCC2)C1=O)C1=CC=C(Cl)S1,"InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1",YMJHMJLNQLVUAV-GHYUOPHCSA-N
DB07212,,N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE,experimental,,,,,,709,,ZINC000038189525,,,,,6852140,CC1=C(O)C=CC=C1C(=O)NC1=C2C=C(C=CC2=CC=C1)C(N)=N,"InChI=1S/C19H17N3O2/c1-11-14(5-3-7-17(11)23)19(24)22-16-6-2-4-12-8-9-13(18(20)21)10-15(12)16/h2-10,23H,1H3,(H3,20,21)(H,22,24)",NNGZRCYXFBHMRM-UHFFFAOYSA-N
DB07213,,"(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL",experimental,,,,,,710,,ZINC000014949271,CHEMBL374713,12131,,,135414460,OCC1=NNN=C1C1=CC2=C(C=C1)C(=NN2)C1=CC2=C(N1)C=CC(CN1CCCCC1)=C2,"InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)",FNWHPLLNMLOZTL-UHFFFAOYSA-N
DB07215,343321-96-0,GW-590735,investigational,,,,,,735,,ZINC000016052349,CHEMBL219586,28706,,,9956726,CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1,"InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)",ILUPZUOBHCUBKB-UHFFFAOYSA-N
DB07216,,"(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE",experimental,,,,,,736,,ZINC000028568886,CHEMBL372164,,,,9547909,[H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1,"InChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)16-21(20)22(28-13-9-26-10-14-28)15-18-3-2-8-27-24(18)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m0/s1",ZMGCFGGMTCMSDP-QHCPKHFHSA-N
DB07217,,"N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide",experimental,,,,,,738,,ZINC000000244028,CHEMBL234838,50411413,,40300,766948,FC1=CC=CC=C1C(=O)NC1=C(C#N)C2=C(CCCC2)S1,"InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)",YVYPYORTKAIUGJ-UHFFFAOYSA-N
DB07218,,"6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE",experimental,,,,,,73Q,,ZINC000014959802,CHEMBL207228,15868,,,6540289,CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O,"InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3",AYKGPCNWPACUQV-UHFFFAOYSA-N
DB07219,,"BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE",experimental,,,,,,73V,,ZINC000014961495,,16504,,,22850133,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OCC1=CC=CC=C1,"InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1",OMQNYWZURFTFHE-MQBSTWLZSA-N
DB07220,,"N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE",experimental,,,,,,740,,ZINC000020149031,CHEMBL258040,50237845,,,10138993,O=C(CC1=CC=C(C=C1)N1CCCCC1)NC1=NNC2=C1C=C(C=C2)N1CCCS1(=O)=O,"InChI=1S/C23H27N5O3S/c29-22(15-17-5-7-18(8-6-17)27-11-2-1-3-12-27)24-23-20-16-19(9-10-21(20)25-26-23)28-13-4-14-32(28,30)31/h5-10,16H,1-4,11-15H2,(H2,24,25,26,29)",ZXYIRNXOAJYLCU-UHFFFAOYSA-N
DB07221,,"(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM",experimental,,,,,,742,,ZINC000016052649,,,,,24836815,CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)/p+1",QCMHKGWUOSRYCF-UHFFFAOYSA-O
DB07222,,(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE,experimental,,,,,,744,,ZINC000051492080,,,,,6920596,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=C(C)C=CC(Cl)=C1,"InChI=1S/C18H23ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)/t13-/m0/s1",RJWMDETWDDESBP-ZDUSSCGKSA-N
DB07223,,"METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE",experimental,,,,,,74M,,ZINC000004899858,CHEMBL262103,16503,,,6610318,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OC,"InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1",XGWSRLSPWIEMLQ-YTFOTSKYSA-N
DB07224,,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE",experimental,,,,,,75V,,ZINC000014961470,,16499,,,23647358,[H][C@@](C)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O,"InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1",FCCIQOJEDMDETP-QHZLYTNSSA-N
DB07225,,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE",experimental,,,,,,76V,,ZINC000014961474,CHEMBL1230547,,,,46937062,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O,"InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10-,11-,12-,13-,14-/m0/s1",CFABOFMUPCWOPC-LHEWDLALSA-N
DB07226,,"N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE",experimental,,,,,,770,,ZINC000016052724,,,,,24778473,ClC1=CC=CC=C1C1=CC2=C(C3=C(N2)C=CC(NC=O)=C3)C2=C1C(=O)NC2=O,"InChI=1S/C21H12ClN3O3/c22-14-4-2-1-3-11(14)12-8-16-17(19-18(12)20(27)25-21(19)28)13-7-10(23-9-26)5-6-15(13)24-16/h1-9,24H,(H,23,26)(H,25,27,28)",JWZVNUNTFNELHL-UHFFFAOYSA-N
DB07227,183499-57-2,L-778123,experimental,,,,,,778,,ZINC000053070632,CHEMBL279433,50097071,"L-778,123",180478,216454,ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O,"InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2",JNUGFGAVPBYSHF-UHFFFAOYSA-N
DB07228,,1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA,experimental,,,,,,77A,,ZINC000014958152,,,,,23657800,[H][C@](C)(CN(C)C)OC1=CN=CC(NC(=O)NC2=C(OC)C=CC(Cl)=C2)=N1,"InChI=1S/C17H22ClN5O3/c1-11(10-23(2)3)26-16-9-19-8-15(21-16)22-17(24)20-13-7-12(18)5-6-14(13)25-4/h5-9,11H,10H2,1-4H3,(H2,20,21,22,24)/t11-/m0/s1",GIAYFZLMPSVQDV-NSHDSACASA-N
DB07229,,"3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE",experimental,,,,,,783,,ZINC000002047587,,14337,,,447492,COC1=CC(=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+])C1=CC=CC=C1,"InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,25-26H,1H3,(H3,23,24)",MINVOLKUPZPDNX-UHFFFAOYSA-N
DB07230,,3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE,experimental,,,,,,789,,ZINC000016051727,CHEMBL190467,50166754,,,10286462,OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O,"InChI=1S/C15H9BrO3/c16-14-11-6-5-10(18)7-12(11)15(19)13(14)8-1-3-9(17)4-2-8/h1-7,17-18H",DHPCBFMFERFZLR-UHFFFAOYSA-N
DB07231,,"N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE",experimental,,,,,,78A,,ZINC000014961490,,16502,,,23647361,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O,"InChI=1S/C22H29N3O6/c1-3-13(2)16(21(28)25-11-7-10-15(25)22(29)30)24-20(27)18-17(31-18)19(26)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/t13-,15-,16-,17-,18-/m0/s1",MERYMLLGRCNRKE-HILJTLORSA-N
DB07232,912444-00-9,Veliparib,investigational,,,,,PA166131609,78P,,ZINC000084610155,CHEMBL506871,27135,VELIPARIB,62880,11960529,C[C@@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1,"InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1",JNAHVYVRKWKWKQ-CYBMUJFWSA-N
DB07233,,N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan,experimental,,,,,,792,,ZINC000038225899,CHEMBL527018,50279256,,,42627769,[H][C@](CC1=CNC2=C1C=C(C)C=C2)(NS(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(O)=O,"InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1",SFVPXERGVLDWIS-OAQYLSRUSA-N
DB07234,,"3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione",experimental,,,,,,793,,ZINC000100035297,CHEMBL466496,50259376,,,15295578,[H][C@](C)(NC1=C(NC2=CC=NC=C2)C(=O)C1=O)C1=CC=CC=C1,"InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1",MCBPNFWHHNJTGN-LLVKDONJSA-N
DB07235,,"N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE",experimental,,,,,,796,,ZINC000016052084,CHEMBL213618,50188913,,,16043304,[H][C@@](CN)(CC1=C(Cl)C=C(Cl)C=C1)NC(=O)C1=CC=C(S1)C1=CC=NC(NC)=N1,"InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1",HHOVRZGUSBMKKU-ZDUSSCGKSA-N
DB07236,,3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL,experimental,,,,,,797,,ZINC000013583568,CHEMBL187105,50154137,,,5287551,OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2,"InChI=1S/C17H11NO3/c19-13-4-3-10-7-12(2-1-11(10)8-13)17-15-6-5-14(20)9-16(15)21-18-17/h1-9,19-20H",LCGSYJVWLGYWTD-UHFFFAOYSA-N
DB07237,,{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone,experimental,,,,,,798,,ZINC000039257802,CHEMBL561639,50294162,,,44129624,[H][C@]1(COC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C2=CSC=C2)CCCN1,"InChI=1S/C22H21NO2S/c24-22(17-5-3-16(4-6-17)19-11-13-26-15-19)18-7-9-21(10-8-18)25-14-20-2-1-12-23-20/h3-11,13,15,20,23H,1-2,12,14H2/t20-/m1/s1",VUWFJUJWAWMRQN-HXUWFJFHSA-N
DB07238,691852-58-1,Nesbuvir,investigational,,,,,,79Z,,ZINC000030691787,CHEMBL1092581,50454876,HCV-796,,11561383,CNC(=O)C1=C(OC2=CC(N(CCO)S(C)(=O)=O)=C(C=C12)C1CC1)C1=CC=C(F)C=C1,"InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)",WTDWVLJJJOTABN-UHFFFAOYSA-N
DB07239,,7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile,experimental,,,,,,7AC,,ZINC000029125222,CHEMBL272114,50375237,,,11572962,CN1C=NC2=CC(C#N)=C(C(CN)=C12)C1=C(Cl)C=CC=C1,"InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3",YJLVMTVZVJSNHG-UHFFFAOYSA-N
DB07240,,3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid,experimental,,,,,,7BD,,ZINC000029219892,CHEMBL33468,,,,15627868,OC(=O)CCON=C1C2=C(C=CC=C2)C2=C1C=CC=C2,"InChI=1S/C16H13NO3/c18-15(19)9-10-20-17-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,18,19)",LASWLEUVWJDDBA-UHFFFAOYSA-N
DB07241,,"7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole",experimental,,,,,,7CK,,ZINC000053682995,,,,,135908254,OC(=O)C1=C2C(=C(O)N1)C1=C(NC3=C1C=CC=C3)C1=C2C2=C(N1)C=CC=C2,"InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,22-25H,(H,26,27)",LTOZELYBRTWMHC-UHFFFAOYSA-N
DB07242,,"(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",experimental,,,,,,7CP,,ZINC000024963803,,,,,24851688,[H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1,"InChI=1S/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1",XGUIMGJMQKZRGM-LLVKDONJSA-N
DB07243,,"(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE",experimental,,,,,,7CS,,ZINC000100035308,,,,,,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=C1C=CC=N3)N2C,"InChI=1S/C16H19N3O2/c1-19-10-4-5-11(19)8-12(7-10)21-16(20)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)/t10-,11+,12+",WQGFCATXRXQKNB-GDNZZTSVSA-N
DB07244,,"5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE",experimental,,,,,,7IG,,ZINC000014966588,CHEMBL230153,18036,,,6914633,CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1,"InChI=1S/C19H19F2N5/c1-2-16-17(18(22)26-19(23)25-16)12-3-5-15(6-4-12)24-10-11-7-13(20)9-14(21)8-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26)",SRRWXMSVQYQCRX-UHFFFAOYSA-N
DB07245,,6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE,experimental,,,,,,7IP,,ZINC000011525587,CHEMBL221170,15780,,,11659487,COC1=CC=CC(=C1)C1=CC(CCC2=CC=CC(N)=N2)=CC=C1,"InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22)",AEVBKBAFFJKFJZ-UHFFFAOYSA-N
DB07246,,"(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE",experimental,,,,,,7MR,,ZINC000016052326,,,,,16129579,N[C@](CS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)(C(=O)NO)C(F)(F)F,"InChI=1S/C16H15F3N2O5S/c17-16(18,19)15(20,14(22)21-23)10-27(24,25)13-8-6-12(7-9-13)26-11-4-2-1-3-5-11/h1-9,23H,10,20H2,(H,21,22)/t15-/m1/s1",MKRPIBSCGZAUCH-OAHLLOKOSA-N
DB07247,,"[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA",experimental,,,,,,7NH,,ZINC000014956591,,14864,,,15942655,NC(=O)NCC1=CC(=CC=C1)C1=C(O)C(=CC=C1)C1=CC2=C(N1)C=CN=C2,"InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27)",SRPOHNDQBDHONJ-UHFFFAOYSA-N
DB07248,,"7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE",experimental,,,,,,7PY,,ZINC000016051981,CHEMBL205098,50182010,,,11957393,COC1=CC(NC2=NC=C3C=CN(C3=N2)C2=CC=CC=N2)=CC(OC)=C1OC,"InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)",YENZSPIOXMNEFF-UHFFFAOYSA-N
DB07249,,"N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine",experimental,,,,,,7X1,,ZINC000003938356,CHEMBL169186,6219,,,5330197,COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(NC3=C(Cl)C=CC4=C3OCO4)C2=C1,"InChI=1S/C24H27ClN4O4/c1-30-20-12-16-18(13-21(20)31-11-5-10-29-8-3-2-4-9-29)26-14-27-24(16)28-22-17(25)6-7-19-23(22)33-15-32-19/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,26,27,28)",QHIMVPIOWKYPSO-UHFFFAOYSA-N
DB07250,,"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE",experimental,,,,,,7X2,,ZINC000016052641,CHEMBL256725,25205,,,24836813,COC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC(OC)=C1OC,"InChI=1S/C20H19ClN4O5/c1-26-14-8-11(9-15(27-2)18(14)28-3)23-20-22-7-6-16(25-20)24-17-12(21)4-5-13-19(17)30-10-29-13/h4-9H,10H2,1-3H3,(H2,22,23,24,25)",HMKLUOPMOJOUDZ-UHFFFAOYSA-N
DB07251,,"N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE",experimental,,,,,,7X3,,ZINC000016052640,CHEMBL403673,25202,,,24836812,COC1=CC(NC2=NC=NC(NC3=CC(Cl)=C(OC)C=C3)=N2)=CC(OC)=C1OC,"InChI=1S/C19H20ClN5O4/c1-26-14-6-5-11(7-13(14)20)23-18-21-10-22-19(25-18)24-12-8-15(27-2)17(29-4)16(9-12)28-3/h5-10H,1-4H3,(H2,21,22,23,24,25)",ZVWFECUPYCFYBL-UHFFFAOYSA-N
DB07252,,"3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide",experimental,,,,,,7X4,,ZINC000029043180,CHEMBL257553,25223,,,25011728,NS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,"InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23)",TZHCXOMEOHEZDX-UHFFFAOYSA-N
DB07253,,"N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine",experimental,,,,,,7X5,,ZINC000029043084,CHEMBL445162,25226,,,25011729,CS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,"InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23)",QTFCKBFCXDAZIU-UHFFFAOYSA-N
DB07254,,"N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE",experimental,,,,,,7X6,,ZINC000034285198,CHEMBL496574,50293237,,,25011730,CS(=O)(=O)NC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,"InChI=1S/C18H16ClN5O4S/c1-29(25,26)24-12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)28-10-27-14/h2-9,24H,10H2,1H3,(H2,20,21,22,23)",KQGTYXRWSIBDOZ-UHFFFAOYSA-N
DB07255,,"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE",experimental,,,,,,7X7,,ZINC000029042996,CHEMBL255874,25229,,,25011731,ClC1=C(NC2=NC(NC3=CC(=CC=C3)N3CCOCC3)=NC=C2)C2=C(OCO2)C=C1,"InChI=1S/C21H20ClN5O3/c22-16-4-5-17-20(30-13-29-17)19(16)25-18-6-7-23-21(26-18)24-14-2-1-3-15(12-14)27-8-10-28-11-9-27/h1-7,12H,8-11,13H2,(H2,23,24,25,26)",PNEWIQAEGKQNCE-UHFFFAOYSA-N
DB07256,,"3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE",experimental,,,,,,7X8,,ZINC000034285196,CHEMBL500724,50293238,,,24861080,NC(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,"InChI=1S/C18H14ClN5O3/c19-12-4-5-13-16(27-9-26-13)15(12)23-14-6-7-21-18(24-14)22-11-3-1-2-10(8-11)17(20)25/h1-8H,9H2,(H2,20,25)(H2,21,22,23,24)",ZVQZIVCQLFGXFZ-UHFFFAOYSA-N
DB07257,,"4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione",experimental,,,,,,809,,ZINC000035906657,,,,,11602832,CN1C=C(CCO)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1Cl,"InChI=1S/C19H15ClN2O3/c1-22-9-10(6-7-23)15-14(22)8-12(11-4-2-3-5-13(11)20)16-17(15)19(25)21-18(16)24/h2-5,8-9,23H,6-7H2,1H3,(H,21,24,25)",WHMQZCPGFZBLBG-UHFFFAOYSA-N
DB07258,,(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol,experimental,,,,,,80A,,ZINC000034421620,,,,,44129623,[H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1,"InChI=1S/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2/t18-/m1/s1",QQRJWLDQBNAQCC-GOSISDBHSA-N
DB07259,,1-(4-thiophen-2-ylphenyl)methanamine,experimental,,,,,,80G,,ZINC000000158702,CHEMBL539640,50294165,,,2776332,NCC1=CC=C(C=C1)C1=CC=CS1,"InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2",YKNLMMDEWQZCLJ-UHFFFAOYSA-N
DB07260,,N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline,experimental,,,,,,812,,ZINC000039257801,CHEMBL570775,50294163,,,44129620,[H][C@]1(COC2=CC=C(NCC3=CC=CC=C3)C=C2)CCCN1,"InChI=1S/C18H22N2O/c1-2-5-15(6-3-1)13-20-16-8-10-18(11-9-16)21-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2/t17-/m1/s1",HITMFLNAOQIZSN-QGZVFWFLSA-N
DB07261,,"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE",experimental,,,,,,815,,ZINC000018275342,CHEMBL316053,14058,,,445480,[H][C@@]1(CCN(CC2=CC3=C(C=CN=C3N)C=C2)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2,"InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1",NVKDOURNRJCKJE-INIZCTEOSA-N
DB07262,,1-{[N-(1-Imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene,experimental,,,,,,817,,,CHEMBL387262,18052,,,9543472,NC(=N)NC(=N)SCC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C10H11F3N4S/c11-10(12,13)7-3-1-2-6(4-7)5-18-9(16)17-8(14)15/h1-4H,5H2,(H5,14,15,16,17)",DWJNPCRXBNWCJC-UHFFFAOYSA-N
DB07263,,"[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid",experimental,,,,,,825,,ZINC000024980465,,,,,24808499,[H][C@](CC1=CC(Br)=C(C=C1)C(F)(F)P(O)(O)=O)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29)/t18-/m1/s1",WDTMVBQZDFMOIK-GOSISDBHSA-N
DB07264,,(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE,experimental,,,,,,82A,,ZINC000020149028,CHEMBL387385,15645,,,135449326,[H][C@](CO)(NC(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC(Cl)=C1)C1=CC(Cl)=C(F)C=C1,"InChI=1S/C22H17Cl2FN4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-18(25)17(24)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)/t20-/m1/s1",YMUYGRBBEDYUOP-HXUWFJFHSA-N
DB07265,,"3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID",experimental,,,,,,839,,ZINC000016052180,CHEMBL462170,50245344,,,9978312,OC(=O)CCN1C2=C(C=C(O)C=C2)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C23H16N2O5/c26-13-6-7-16-15(10-13)19-17(25(16)9-8-18(27)28)11-14(12-4-2-1-3-5-12)20-21(19)23(30)24-22(20)29/h1-7,10-11,26H,8-9H2,(H,27,28)(H,24,29,30)",JDARUOOLJCFUOY-UHFFFAOYSA-N
DB07266,925218-37-7,AKI-001,experimental,,,,,,83H,,ZINC000040584963,CHEMBL223147,24721,,,135564980,CCN1C(=O)C(C)(C)C2=CC3=C(C=C12)C1=C(N3)C2=NNC(C)=C2CCC1,"InChI=1S/C21H24N4O/c1-5-25-17-9-14-13-8-6-7-12-11(2)23-24-19(12)18(13)22-16(14)10-15(17)21(3,4)20(25)26/h9-10,22H,5-8H2,1-4H3,(H,23,24)",AOMMPEGZDRAGRC-UHFFFAOYSA-N
DB07267,,2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine,experimental,,,,,,855,,ZINC000038440844,CHEMBL570533,50293516,,143120,10267580,CC1=CC=CC(=N1)C1=NC(NC2=CC=NC=C2)=C2C=CC=CC2=N1,"InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)",JONFDFIXMPXTRH-UHFFFAOYSA-N
DB07268,,2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE,experimental,,,,,,859,,ZINC000014960224,CHEMBL242237,15978,,40332,16058637,NC(=O)C1=CC=CC=C1NC1=NC(NC2=CC(O)=CC=C2)=NC=C1,"InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)",QHPKKGUGRGRSGA-UHFFFAOYSA-N
DB07269,,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID,experimental,,,,,,864,,ZINC000016052376,,,,,23653503,[H][C@@](C[P@](O)(=O)[C@@]([H])(NC(=O)OCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1,"InChI=1S/C22H29N2O6P/c1-15(2)20(24-22(27)30-13-16-7-4-3-5-8-16)31(28,29)14-19(21(25)26)18-10-6-9-17(11-18)12-23/h3-11,15,19-20H,12-14,23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-,20+/m0/s1",SFUOOKBZBVUDBC-VQTJNVASSA-N
DB07270,,"N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE",experimental,,,,,,870,,ZINC000036241907,CHEMBL205792,50181324,,,6102822,COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CC(N)=CC=C1,"InChI=1S/C20H15Cl2N3O4S/c1-28-14-9-15(11-3-2-4-13(23)7-11)19-17(10-14)24-20(29-19)25-30(26,27)18-8-12(21)5-6-16(18)22/h2-10H,23H2,1H3,(H,24,25)",GAYYMURZGLJDCT-UHFFFAOYSA-N
DB07271,,"4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one",experimental,,,,,,872,,,CHEMBL230910,,,,10024590,N[C@@H](CC(=O)N1CCCNC(=O)C1CC(F)(F)F)CC1=C(F)C=C(F)C(F)=C1,"InChI=1S/C17H19F6N3O2/c18-11-7-13(20)12(19)5-9(11)4-10(24)6-15(27)26-3-1-2-25-16(28)14(26)8-17(21,22)23/h5,7,10,14H,1-4,6,8,24H2,(H,25,28)/t10-,14?/m1/s1",RMDAPSXWBVPVOG-IAPIXIRKSA-N
DB07272,,"N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE",experimental,,,,,,877,,ZINC000014960080,CHEMBL382639,15940,,,6852206,CCOC1=NC(NC(=O)CC2=CC(OC)=C(Br)C=C2OC)=CC(N)=C1C#N,"InChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24)",GKODDLYLEKSDJL-UHFFFAOYSA-N
DB07273,,1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE,experimental,,,,,,885,,ZINC000013687256,CHEMBL210593,50187225,,,6914644,[H][C@]1(CCCN1S(=O)(=O)C1=C(N)C=C(Cl)C(C)=C1)C(O)=O,"InChI=1S/C12H15ClN2O4S/c1-7-5-11(9(14)6-8(7)13)20(18,19)15-4-2-3-10(15)12(16)17/h5-6,10H,2-4,14H2,1H3,(H,16,17)/t10-/m0/s1",OWYKAFABUYXQLE-JTQLQIEISA-N
DB07274,,"N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide",experimental,,,,,,887,,ZINC000016052729,CHEMBL272198,50236856,,,11441375,COC1=C(OC)C=C2C(OC3=CC4=CC=CC(C(=O)NC5CC5)=C4C=C3)=CC=NC2=C1,"InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)",ZATGFXTWDKIEKC-UHFFFAOYSA-N
DB07275,,"3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one",experimental,,,,,,888,,ZINC000100035344,CHEMBL176058,30406,,,135412361,CC(C)CCN1C(=O)C(C2=NS(=O)(=O)C3=CC=CC=C3N2)=C(O)C2=CC=CC=C12,"InChI=1S/C21H21N3O4S/c1-13(2)11-12-24-16-9-5-3-7-14(16)19(25)18(21(24)26)20-22-15-8-4-6-10-17(15)29(27,28)23-20/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)",MQFPIRFODWNQIO-UHFFFAOYSA-N
DB07276,,"5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE",experimental,,,,,,893,,ZINC000014960015,CHEMBL209740,15922,,,9543521,CCOC1=NC(=CC=C1C#N)C(=O)NCC1=CC(OC)=CC=C1OC,"InChI=1S/C18H19N3O4/c1-4-25-18-12(10-19)5-7-15(21-18)17(22)20-11-13-9-14(23-2)6-8-16(13)24-3/h5-9H,4,11H2,1-3H3,(H,20,22)",VEGKZYFYGCWXMN-UHFFFAOYSA-N
DB07277,,2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE,experimental,,,,,,894,,ZINC000016052247,CHEMBL391737,50206985,,,10343728,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)CCC2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,"InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1",IAUZEBLXCOCAFL-JSGCOSHPSA-N
DB07278,478644-12-1,GW-813893,experimental,,,,,,895,,,CHEMBL220050,17643,,,9911502,C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,"InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1",ACEFOQMQINFMRW-DYCFVMESSA-N
DB07279,,N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE,experimental,,,,,,896,,ZINC000000602556,CHEMBL1230612,,,,9820034,[H][C@](C)(COC1=CC(=CC(C)=C1)C(=O)N(CC)C(C)C)NC1=CC=NC=C1,"InChI=1S/C21H29N3O2/c1-6-24(15(2)3)21(25)18-11-16(4)12-20(13-18)26-14-17(5)23-19-7-9-22-10-8-19/h7-13,15,17H,6,14H2,1-5H3,(H,22,23)/t17-/m0/s1",JMPSZYHYDMQFEO-KRWDZBQOSA-N
DB07280,,5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE,experimental,,,,,,89I,,ZINC000020149029,CHEMBL216697,14488,,,11987868,CN(C)C1=CC=C(C=C1)C1=C(N=CN=C1N)C#CC1=CC=C(N=C1)N1CCOCC1,"InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)",AINVOEOJEKKMKB-UHFFFAOYSA-N
DB07281,,"N~3~-BENZYLPYRIDINE-2,3-DIAMINE",experimental,,,,,,8AP,,ZINC000010339550,CHEMBL435747,15781,,,10397869,NC1=NC=CC=C1NCC1=CC=CC=C1,"InChI=1S/C12H13N3/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8,15H,9H2,(H2,13,14)",MUKAGFLFIMVSQN-UHFFFAOYSA-N
DB07282,,3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid,experimental,,,,,,8BD,,ZINC000064426426,,,,,44129627,COC1=CC=CC=C1\C=N/OCCC(O)=O,"InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8-",HNYXMVDBRIIJGT-WQLSENKSSA-N
DB07283,,"9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid",experimental,,,,,,8CA,,ZINC000039795248,CHEMBL452596,50247987,,,10017976,OC(=O)C1=C2N(CC3=CC=CC=C3)C3=C(CCCC3)C2=CC=C1,"InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)",VDOXYKGIKBUISK-UHFFFAOYSA-N
DB07284,,"N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE",experimental,,,,,,8IP,,ZINC000010339547,CHEMBL220346,15782,,,11701820,NC1=NC=CC=C1NCC1=CC=CC(=C1)C1=CN=CC=C1,"InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20)",NQSBHBFOOVYRNM-UHFFFAOYSA-N
DB07285,,"(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID",experimental,,,,,,8MR,,ZINC000035335334,,,,,16129580,[H][C@@](CC(O)=O)(C(F)F)S(=O)(=O)C1=CC=C(OC)C=C1,"InChI=1S/C11H12F2O5S/c1-18-7-2-4-8(5-3-7)19(16,17)9(11(12)13)6-10(14)15/h2-5,9,11H,6H2,1H3,(H,14,15)/t9-/m1/s1",OBQLOVWIRUXBAW-SECBINFHSA-N
DB07286,627530-84-1,BMS-564929,experimental,,,,,,8NH,,ZINC000003938678,CHEMBL229264,,,,9882972,[H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=C(C)C(Cl)=C(C=C1)C#N,"InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1",KEJORAMIZFOODM-PWSUYJOCSA-N
DB07287,,"2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL",experimental,,,,,,8PC,,ZINC000029060814,CHEMBL260585,25425,,,16220130,OC1=CC(CC2=CC=CC=N2)=CC=C1OC1=CC=C(Cl)C=C1Cl,"InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2",AOVDSWPGWPRTSR-UHFFFAOYSA-N
DB07288,,N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide,experimental,,,,,,8ST,,ZINC000000008732,CHEMBL101683,50132151,,,9797919,ClC1=CC=C(NC(=O)C2=C(NCC3=CC=NC=C3)C=CC=C2)C=C1,"InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)",GGPZCOONYBPZEW-UHFFFAOYSA-N
DB07289,,5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,910,,ZINC000016052431,CHEMBL243731,50219574,,,17758920,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NCC2=CC=CC=C2)=C1)C(O)=O,"InChI=1S/C20H16BrNO5S/c21-16-17(27-11-15(23)24)19(20(25)26)28-18(16)13-7-4-8-14(9-13)22-10-12-5-2-1-3-6-12/h1-9,22H,10-11H2,(H,23,24)(H,25,26)",XEQPGVUGYAUMSA-UHFFFAOYSA-N
DB07290,,(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE,experimental,,,,,,915,,ZINC000003818457,CHEMBL204593,8503,,,4369384,[H][C@@](NS(=O)(=O)C1=CC(C)=C(F)C=C1)(C1CCOCC1)C(=O)NO,"InChI=1S/C14H19FN2O5S/c1-9-8-11(2-3-12(9)15)23(20,21)17-13(14(18)16-19)10-4-6-22-7-5-10/h2-3,8,10,13,17,19H,4-7H2,1H3,(H,16,18)/t13-/m1/s1",LUCFRFDOOYLALP-CYBMUJFWSA-N
DB07291,,5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile,experimental,,,,,,928,,ZINC000000093021,CHEMBL460460,50242762,,,639097,NC1=C(C=NN1C1=CC=C(Cl)C=C1)C#N,"InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2",WIWSALMJHPGFDY-UHFFFAOYSA-N
DB07292,,"4-(2-amino-1,3-thiazol-4-yl)phenol",experimental,,,,,,92G,,ZINC000016951624,CHEMBL483790,50293592,,194604,346926,NC1=NC(=CS1)C1=CC=C(O)C=C1,"InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)",QGSJYYIRAFRPIT-UHFFFAOYSA-N
DB07293,,benzyl (2-oxopropyl)carbamate,experimental,,,,,,959,,ZINC000032602822,,,,,22747857,CC(=O)CNC(=O)OCC1=CC=CC=C1,"InChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)",GVRXLHLFAABVLJ-UHFFFAOYSA-N
DB07294,,"3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid",experimental,,,,,,961,,ZINC000002046792,,31890,,,445460,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O,"InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1",AANFHDFOMFRLLR-IBGZPJMESA-N
DB07295,,2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID,experimental,,,,,,968,,ZINC000002047504,CHEMBL305785,13958,,,447695,OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=CC=C(O)C=C12,"InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)",IGOULVZYQKJJKC-UHFFFAOYSA-N
DB07296,,(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE,experimental,,,,,,973,,ZINC000028565517,CHEMBL197865,50475588,,,54682555,OC1=C(C(=O)O\C1=C/C1=CC=CC2=CC=CC=C12)C1=CC=C(Cl)C=C1,"InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12-",PLGHLEBIWUQEPR-PDGQHHTCSA-N
DB07297,,"5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE",experimental,,,,,,979,,ZINC000023359501,CHEMBL247272,17714,,40432,17756743,C(CN1CCNCC1)NC1=C2C(OC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,"InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28)",PTILEOLOGGMFCS-UHFFFAOYSA-N
DB07298,,"3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID",experimental,,,,,,982,,ZINC000014954936,,14211,,,5327045,OC(=O)COC1=C(SC2=NC=CC=C12)C(O)=O,"InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)",JGZSWLHKOMFYHS-UHFFFAOYSA-N
DB07299,,4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE,experimental,,,,,,995,,ZINC000038190858,,,,,6857702,[H][C@@](CCCNC(N)N)(NC(=O)[C@@]([H])(NC(=O)CCC(C)C)C(C)C)C(=O)C1=NC=CS1,"InChI=1S/C20H36N6O3S/c1-12(2)7-8-15(27)26-16(13(3)4)18(29)25-14(6-5-9-24-20(21)22)17(28)19-23-10-11-30-19/h10-14,16,20,24H,5-9,21-22H2,1-4H3,(H,25,29)(H,26,27)/t14-,16-/m0/s1",ZXELQWLUDMEUHS-HOCLYGCPSA-N
DB07300,,"2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine",experimental,,,,,,9BD,,ZINC000045256308,CHEMBL571159,32422,,,44176356,COCCOC1=C(OC)C=C2C(=C1)N=CC1=C(N)N=C(C=C21)N1C=CN=C1,"InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23)",QSSGYSRUMIOURP-UHFFFAOYSA-N
DB07301,86-74-8,Carbazole,experimental,,,,,,9CA,,ZINC000100009863,CHEMBL243580,,,27543,6854,N1C2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H",UJOBWOGCFQCDNV-UHFFFAOYSA-N
DB07302,73543-67-6,9(S)-HODE,experimental,,,,,,9HO,,ZINC000004655401,CHEMBL1230670,,,34496,5312830,CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1",NPDSHTNEKLQQIJ-UINYOVNOSA-N
DB07303,,"N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE",experimental,,,,,,9IP,,ZINC000011525588,CHEMBL220396,15783,,,11500493,COC1=CN=CC(=C1)C1=CC(CNC2=CC=CN=C2N)=CC=C1,"InChI=1S/C18H18N4O/c1-23-16-9-15(11-20-12-16)14-5-2-4-13(8-14)10-22-17-6-3-7-21-18(17)19/h2-9,11-12,22H,10H2,1H3,(H2,19,21)",PGAWZMRRCVSRIM-UHFFFAOYSA-N
DB07304,,5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID,experimental,,,,,,A04,,ZINC000004658787,CHEMBL199441,50175458,,,834826,OC(=O)C1=CC=C(O1)C1=C(OC(F)(F)F)C=CC=C1,"InChI=1S/C12H7F3O4/c13-12(14,15)19-9-4-2-1-3-7(9)8-5-6-10(18-8)11(16)17/h1-6H,(H,16,17)",PSLFQKRPFOCZHR-UHFFFAOYSA-N
DB07305,,5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID,experimental,,,,,,A05,,ZINC000000238077,CHEMBL199544,50175432,,,763808,OC(=O)C1=CC=C(O1)C1=CC=C(C=C1Cl)[N+]([O-])=O,"InChI=1S/C11H6ClNO5/c12-8-5-6(13(16)17)1-2-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)",HDIHNBCCQWMVBW-UHFFFAOYSA-N
DB07306,,ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE,experimental,,,,,,A11,,ZINC000039187978,CHEMBL1221660,36400,,,24894151,CCOC(=O)N1CCC(CC1)NC1=NC=CC(Cl)=C1,"InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-7-4-11(5-8-17)16-12-9-10(14)3-6-15-12/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)",YQEYLCGMINXDBN-UHFFFAOYSA-N
DB07307,,N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide,experimental,,,,,,A17,,ZINC000034285200,CHEMBL492265,50253154,,,24941253,CC1=CC=CC=C1C1=NN=CC2=C1C=CC(=C2)C1=C(C)C=CC(=C1)C(=O)NC1CC1,"InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)",GQXMJOSCBRZMKE-UHFFFAOYSA-N
DB07308,,5-(2-CHLOROBENZYL)-2-FUROIC ACID,experimental,,,,,,A18,,ZINC000016052425,CHEMBL197550,50175447,,,14163672,OC(=O)C1=CC=C(CC2=CC=CC=C2Cl)O1,"InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15)",YRUPEIZURHOLHV-UHFFFAOYSA-N
DB07309,,5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID,experimental,,,,,,A19,,ZINC000000754636,CHEMBL212522,17595,,,1069140,OC(=O)C1=C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C=CC(Br)=C1,"InChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)",JDVLYAYDIMUAAC-UHFFFAOYSA-N
DB07310,,"(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one",experimental,,,,,,A21,,ZINC000014953779,CHEMBL218006,13754,,,135513268,C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)C1=C(F)C=CC=C1,"InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12-/m0/s1",KNHNFKZUNFPPQE-MADCSZMMSA-N
DB07311,,"18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE",experimental,,,,,,A25,,ZINC000014958160,CHEMBL223512,15247,,,11348631,ClC1=CC2=C(OCCCCCOC3=CN=CC(NC(=O)N2)=N3)C=C1,"InChI=1S/C16H17ClN4O3/c17-11-4-5-13-12(8-11)19-16(22)21-14-9-18-10-15(20-14)24-7-3-1-2-6-23-13/h4-5,8-10H,1-3,6-7H2,(H2,19,20,21,22)",JRSWWYITYIOHOP-UHFFFAOYSA-N
DB07312,,"2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE",experimental,,,,,,A37,,ZINC000036241914,CHEMBL207095,50181323,,,6102820,ClC1=CC=C2OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=NC2=C1,"InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)",JCXZHFCBNFFHRC-UHFFFAOYSA-N
DB07313,,5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID,experimental,,,,,,A41,,ZINC000014964411,CHEMBL378927,17477,,,6102684,CC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C(=C1)C(O)=O,"InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)",HXQLTRSIZRSFTR-UHFFFAOYSA-N
DB07314,,"1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA",experimental,,,,,,A42,,ZINC000014956359,CHEMBL207994,14717,,,16122643,COC1=CC(OC)=C(NC(=O)NC2=NC=C(N=C2)C#N)C=C1Cl,"InChI=1S/C14H12ClN5O3/c1-22-11-4-12(23-2)10(3-9(11)15)19-14(21)20-13-7-17-8(5-16)6-18-13/h3-4,6-7H,1-2H3,(H2,18,19,20,21)",URQYPXQXSVUVRG-UHFFFAOYSA-N
DB07315,,"5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide",experimental,,,,,,A46,,ZINC000013975043,,,,,24883477,[H][C@](O)(CO)C1=CC=C(NC(=O)C2=CC3=CC(Cl)=CC=C3N2)C=C1,"InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)/t16-/m0/s1",SHCHFGSUYJUEBR-INIZCTEOSA-N
DB07316,,"N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",experimental,,,,,,A49,,ZINC000037868583,CHEMBL453620,28376,,,25263223,C[C@](O)(C1=CC=C(C=C1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F,"InChI=1S/C23H30F3N3O3/c1-21(32,23(24,25)26)16-4-2-15(3-5-16)19(30)29(17-6-7-17)18-8-12-28(13-9-18)14-22(10-11-22)20(27)31/h2-5,17-18,32H,6-14H2,1H3,(H2,27,31)/t21-/m0/s1",FAVXIEFZKPJZRT-NRFANRHFSA-N
DB07317,,(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one,experimental,,,,,,A51,,,CHEMBL486921,,,,44585557,O=C1OCC\C1=C/NC1=CC=CC=C1,"InChI=1S/C11H11NO2/c13-11-9(6-7-14-11)8-12-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2/b9-8+",BKXNPYSVWOVZGX-CMDGGOBGSA-N
DB07318,,"N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE",experimental,,,,,,A55,,ZINC000039187979,,,,,24941258,[H][C@@]1(CCNC(=O)C2=COC=C2)NC2=C(F)C=CC(F)=C2C(N)=N1,"InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22)/t11-/m1/s1",BOAUWUUBSXECNL-LLVKDONJSA-N
DB07319,,"6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE",experimental,,,,,,A56,,ZINC000036966120,,81729,,,13373715,NC1=NC(=NC(N)=N1)C1=CC2=CC=CC=C2C=C1Br,"InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)",RXSSKAZHCZWJPP-UHFFFAOYSA-N
DB07320,,"4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID",experimental,,,,,,A58,,ZINC000100035387,CHEMBL242737,50204706,,,,[H][C@]1(C)CC[C@]([H])(CC1)NCC1=CC2=C(C=C1)C1=C(C2)C(=NN1)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20+",MEDLHZCDTXWLOC-GSXCWMCISA-N
DB07321,,"2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE",experimental,,,,,,A74,,ZINC000038233025,CHEMBL1230742,,,,6102821,COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CN=C(OC)C=C1,"InChI=1S/C20H15Cl2N3O5S/c1-28-13-8-14(11-3-6-18(29-2)23-10-11)19-16(9-13)24-20(30-19)25-31(26,27)17-7-12(21)4-5-15(17)22/h3-10H,1-2H3,(H,24,25)",KOKQLKWXOFRTHE-UHFFFAOYSA-N
DB07322,,"2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID",experimental,,,,,,A75,,ZINC000014964415,CHEMBL380394,17478,,,6102685,OC(=O)C1=C2CCCCC2=CC=C1NS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C17H17NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2,(H,19,20)",RRXVUYHFDBLTEL-UHFFFAOYSA-N
DB07323,,"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID",experimental,,,,,,A84,,ZINC000014964902,,17572,,,6102686,CN(C)C\C=C/C1=CC(F)=CC=C1S(=O)(=O)NC1=CC=C2CCCCC2=C1C(O)=O,"InChI=1S/C22H25FN2O4S/c1-25(2)13-5-7-16-14-17(23)10-12-20(16)30(28,29)24-19-11-9-15-6-3-4-8-18(15)21(19)22(26)27/h5,7,9-12,14,24H,3-4,6,8,13H2,1-2H3,(H,26,27)/b7-5-",CTZLIARLNXSXGL-ALCCZGGFSA-N
DB07324,,"3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE",experimental,,,,,,A91,,ZINC000016052437,,,,,24832022,CC1=CC(=NC(N)=N1)C#CC1=C(CNN2C=COC2=O)C=CC=C1,"InChI=1S/C17H15N5O2/c1-12-10-15(21-16(18)20-12)7-6-13-4-2-3-5-14(13)11-19-22-8-9-24-17(22)23/h2-5,8-10,19H,11H2,1H3,(H2,18,20,21)",ZUJWSOPIDUWELP-UHFFFAOYSA-N
DB07325,,N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE,experimental,,,,,,A94,,ZINC000036966118,,,,,17755582,CC1=NC(N)=NC(CNS(=O)(=O)C2=CC(N\C=C3/CCOC3=O)=CC=C2)=C1,"InChI=1S/C17H19N5O4S/c1-11-7-14(22-17(18)21-11)10-20-27(24,25)15-4-2-3-13(8-15)19-9-12-5-6-26-16(12)23/h2-4,7-9,19-20H,5-6,10H2,1H3,(H2,18,21,22)/b12-9+",VCOKUBHAJVTVNG-FMIVXFBMSA-N
DB07326,,"6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide",experimental,,,,,,A96,,ZINC000020149010,CHEMBL491429,50264389,,,23658582,FC(F)(F)C1=CC(NC2=NOC3=C(C(=O)NC4=CN=CN=C4)C(Cl)=CC=C23)=CC=C1,"InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)",FEGRQUWSKADGSP-UHFFFAOYSA-N
DB07327,163435-77-6,R-95845,experimental,,,,,,AAA,,,,,,,446106,CC(=O)C1=C(N[C@H](C(N)=O)C2=C(Br)C=CC=C2Br)C=C(C)C=C1,"InChI=1S/C17H16Br2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1",FELUFXCUIYHAPB-INIZCTEOSA-N
DB07328,,"METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE",experimental,,,,,,AAF,,ZINC000024803068,CHEMBL1230763,50489029,,,11840913,[H][C@]1(CNC(=O)NC2=CC=C(C=C2)C(=O)OC)CC[C@]([H])(N1)C(=O)N1CCC[C@@]1([H])CN,"InChI=1S/C20H29N5O4/c1-29-19(27)13-4-6-14(7-5-13)24-20(28)22-12-15-8-9-17(23-15)18(26)25-10-2-3-16(25)11-21/h4-7,15-17,23H,2-3,8-12,21H2,1H3,(H2,22,24,28)/t15-,16+,17+/m1/s1",USDCNOQKDUFKRD-IKGGRYGDSA-N
DB07329,,1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID,experimental,,,,,,AAH,,ZINC000002043437,,,,40413,445651,OC(=O)CCCCN(CC1=CC=C(C=C1)[N+]([O-])=O)CP(O)(O)=O,"InChI=1S/C13H19N2O7P/c16-13(17)3-1-2-8-14(10-23(20,21)22)9-11-4-6-12(7-5-11)15(18)19/h4-7H,1-3,8-10H2,(H,16,17)(H2,20,21,22)",RWVBLRUMXIXUAR-UHFFFAOYSA-N
DB07330,272769-49-0,A-620223,experimental,,,,,,AAI,,ZINC000034031449,CHEMBL452800,27119,,,9925908,CCCN1CCC(CC1)C1=NC2=CC=CC(C(N)=O)=C2N1,"InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)",KXSIHXHEHABEJX-UHFFFAOYSA-N
DB07331,104-03-0,p-Nitrophenylacetic acid,experimental,,,,,,AAN,,ZINC000000154582,,,,40443,4661,OC(=O)CC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)",YBADLXQNJCMBKR-UHFFFAOYSA-N
DB07332,,"ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE",experimental,,,,,,AAP,,,CHEMBL1230770,,,,449080,[H][C@@](NC1=C(C=CC(C)=C1)C(C)=O)(C(N)=O)C1=C(Cl)C=CC=C1Cl,"InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1",CJPLEFFCVDQQFZ-INIZCTEOSA-N
DB07333,,"N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE",experimental,,,,,,AAX,,ZINC000012080863,,11445,,,4369498,COC1=CC=C(C=C1NC1=NC=C(O1)C1=CC(=CC=C1)C1=CN=CC=C1)S(=O)(=O)NCC1CC1,"InChI=1S/C25H24N4O4S/c1-32-23-10-9-21(34(30,31)28-14-17-7-8-17)13-22(23)29-25-27-16-24(33-25)19-5-2-4-18(12-19)20-6-3-11-26-15-20/h2-6,9-13,15-17,28H,7-8,14H2,1H3,(H,27,29)",KRGKAARWVPUWSY-UHFFFAOYSA-N
DB07334,,"N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE",experimental,,,,,,AAZ,,ZINC000008582015,CHEMBL194176,5875,,,4369497,CCS(=O)(=O)C1=CC=C(OC)C(NC2=NC=C(O2)C2=CC=CC(=C2)C2=CC=CC=N2)=C1,"InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)",HTIZPBXCJPQDEM-UHFFFAOYSA-N
DB07335,,"3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL",experimental,,,,,,ABJ,,,CHEMBL1230790,,,,24905143,CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC=CC(O)=C1,"InChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9/h3-8,20H,1-2H3,(H2,15,16,17)",MWYBBCLGEHZSCP-UHFFFAOYSA-N
DB07336,,4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL,experimental,,,,,,ABO,,ZINC000014961815,,16589,,,135446004,COC1=CC(=CC=C1O)C1=CC2=C(C=C1)C(=NN2)C1=NC2=CC=CC=C2N1,"InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)",GYPHGCGOSZJXOT-UHFFFAOYSA-N
DB07337,,"4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE",experimental,,,,,,ABZ,,ZINC000003605954,CHEMBL313405,,,,448533,NC1=NC(CC2=C3C=CNC3=CC=C2Cl)=NC(NC2=CC=C(C=C2)C#N)=N1,"InChI=1S/C19H14ClN7/c20-15-5-6-16-13(7-8-23-16)14(15)9-17-25-18(22)27-19(26-17)24-12-3-1-11(10-21)2-4-12/h1-8,23H,9H2,(H3,22,24,25,26,27)",SOKOHDQTKSROQZ-UHFFFAOYSA-N
DB07338,50594-66-6,Acifluorfen,experimental,,,,,,ACJ,,ZINC000002032367,CHEMBL222440,50359942,,73172,44073,OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O,"InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)",NUFNQYOELLVIPL-UHFFFAOYSA-N
DB07339,,"(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione",experimental,,,,,,AD1,,ZINC000001600115,,,,,23270857,[H][C@@]1(O)CN(C)C2=CC(=O)C(=O)C=C12,"InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3/t9-/m1/s1",RPHLQSHHTJORHI-SECBINFHSA-N
DB07340,656820-32-5,Reversine,experimental,,,,,,AD5,,ZINC000003620786,CHEMBL188343,50170831,,70723,210332,C1CCC(CC1)NC1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC2=C1N=CN2,"InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)",ZFLJHSQHILSNCM-UHFFFAOYSA-N
DB07341,,"octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside",experimental,,,,,,AD7,,ZINC000053683001,,,,,46937064,[H][C@]1(O)C[C@]([H])(O[C@]2([H])[C@@]([H])(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]2([H])OCCCCCCCC)O[C@@]([H])(C)[C@@]1([H])O,"InChI=1S/C20H39NO8/c1-3-4-5-6-7-8-9-26-20-19(16(21)18(25)14(11-22)28-20)29-15-10-13(23)17(24)12(2)27-15/h12-20,22-25H,3-11,21H2,1-2H3/t12-,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1",GHTLMVRROQXELT-HTYYFBMYSA-N
DB07342,,1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone,experimental,,,,,,AD8,,,,,,,,[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CN1C=CN=C1,"InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2/t11-,12+,13-,15-",BBCQJSMDKDHVKG-BVMXXOESSA-N
DB07343,,"4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE",experimental,,,,,,ADB,,ZINC000005932851,CHEMBL70967,,,,448532,NC1=NC(OC2=C(Cl)C=CC=C2Cl)=NC(NC2=CC=C(C=C2)C#N)=N1,"InChI=1S/C16H10Cl2N6O/c17-11-2-1-3-12(18)13(11)25-16-23-14(20)22-15(24-16)21-10-6-4-9(8-19)5-7-10/h1-7H,(H3,20,21,22,23,24)",NFNNMVVXXITVGD-UHFFFAOYSA-N
DB07344,,"3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL",experimental,,,,,,AE4,,,,,,,78058,CCOCCOCCOCCOCCOCCO,"InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3",NJRFAMBTWHGSDE-UHFFFAOYSA-N
DB07345,,4-(2-aminoethyl)-2-cyclohexylphenol,experimental,,,,,,AED,,ZINC000024966463,CHEMBL404150,50372980,,,24748051,NCCC1=CC=C(O)C(=C1)C1CCCCC1,"InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2",DOCCSEDGBYCYLS-UHFFFAOYSA-N
DB07346,,4-(2-aminoethyl)-2-ethylphenol,experimental,,,,,,AEH,,,CHEMBL255750,50372983,,,24748050,CCC1=CC(CCN)=CC=C1O,"InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3",LDAFQVRTSOETPE-UHFFFAOYSA-N
DB07347,34284-75-8,4-(2-Aminoethyl)Benzenesulfonyl Fluoride,experimental,,,,,,AES,,ZINC000008034834,CHEMBL1096339,50398077,,,1701,NCCC1=CC=C(C=C1)S(F)(=O)=O,"InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2",MGSKVZWGBWPBTF-UHFFFAOYSA-N
DB07348,20350-15-6,Brefeldin A,experimental,,,,,,AFB,,ZINC000012371944,CHEMBL19980,97307,,48080,5287620,[H][C@]1(O)C[C@@]2([H])\C=C\CCC[C@]([H])(C)OC(=O)\C=C\[C@@]([H])(O)[C@]2([H])C1,"InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1",KQNZDYYTLMIZCT-KQPMLPITSA-N
DB07349,,"(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE",experimental,,,,,,AGA,,,,,,,5287637,[H][C@](O)(CO)CO[P@@]([O-])(=O)OC[C@@]([H])(COC(=O)CCCC)OC(=O)CCCCCCC,"InChI=1S/C19H37O10P/c1-3-5-7-8-9-11-19(23)29-17(14-26-18(22)10-6-4-2)15-28-30(24,25)27-13-16(21)12-20/h16-17,20-21H,3-15H2,1-2H3,(H,24,25)/p-1/t16-,17+/m0/s1",UQSXQYRZHMGKIE-DLBZAZTESA-M
DB07350,,(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide,experimental,,,,,,AGE,,ZINC000013493184,CHEMBL12760,,,,10379137,CN1C=C(C=C1\C=C\C(=O)NO)C(=O)CC1=CC=CC=C1,"InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+",UFQOXIMRSMFQRI-BQYQJAHWSA-N
DB07351,,O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE,experimental,,,,,,AGF,,ZINC000034930450,,,,,16741275,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)NC[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C21H25N2O8P/c1-15(23-21(27)30-13-17-10-6-3-7-11-17)19(24)22-14-32(28,29)31-18(20(25)26)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)(H,28,29)/t15-,18-/m0/s1",ICACWKLCNCPHAM-YJBOKZPZSA-N
DB07352,520-36-5,Apigenin,experimental,,,,1368130,,AGI,,ZINC000003871576,CHEMBL28,7458,,18388,5280443,OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",KZNIFHPLKGYRTM-UHFFFAOYSA-N
DB07353,,"4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL",experimental,,,,,,AHT,,ZINC000034930550,,,,,46937065,[H][C@](N)(O)CC[C@@]([H])(N)CC1=CC=C(O)C=C1,"InChI=1S/C11H18N2O2/c12-9(3-6-11(13)15)7-8-1-4-10(14)5-2-8/h1-2,4-5,9,11,14-15H,3,6-7,12-13H2/t9-,11+/m1/s1",VTBBVHAOBBELOH-KOLCDFICSA-N
DB07354,,"2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM",experimental,,,,,,AI3,,,,,,,5287652,COC1=C(OC)C=C2C3=C([NH+]=CC2=C1)C1=C(C3)C=C2OCOC2=C1,"InChI=1S/C19H15NO4/c1-21-15-5-11-8-20-19-13-7-18-17(23-9-24-18)4-10(13)3-14(19)12(11)6-16(15)22-2/h4-8H,3,9H2,1-2H3/p+1",LXDREMZQGAILJU-UHFFFAOYSA-O
DB07355,,3-(heptyloxy)benzoic acid,experimental,,,,,,AI7,,ZINC000014980578,CHEMBL1161949,,,,14368760,CCCCCCCOC1=CC=CC(=C1)C(O)=O,"InChI=1S/C14H20O3/c1-2-3-4-5-6-10-17-13-9-7-8-12(11-13)14(15)16/h7-9,11H,2-6,10H2,1H3,(H,15,16)",FOFZVIUYGPBWLV-UHFFFAOYSA-N
DB07356,,"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE",experimental,,,,,,AIA,,ZINC000036470911,,,,40697,11840917,[H][C@](N)(C1CCCC1)C(=O)N1[C@]([H])(CN)CC[C@]1([H])C#C,"InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1",XYVMJMYCUZCIPB-AVGNSLFASA-N
DB07357,,"4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL",experimental,,,,,,AIG,,ZINC000005973055,,,,,448295,[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O,"InChI=1S/C12H25NO5/c1-2-3-4-5-6-17-12-11(16)9(13)10(15)8(7-14)18-12/h8-12,14-16H,2-7,13H2,1H3/t8-,9+,10+,11-,12-/m1/s1",MSXUDXAZMKOOST-YBXAARCKSA-N
DB07358,,"2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide",experimental,,,,,,AJB,,ZINC000003818195,CHEMBL489514,50248442,,,9819610,CN1C=NN=C1SC1=CC=C(N)C(=C1)C(=O)NC1=NC(C)=CS1,"InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)",JEBOJMQHVUEKBE-UHFFFAOYSA-N
DB07359,,"3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide",experimental,,,,,,AJI,,ZINC000038801660,CHEMBL551043,50294464,,,10411846,CN1C=NN=C1SC1=NC(C(=O)NC2=NC(C)=CS2)=C(SC2=CC=C(F)C=C2)C=C1,"InChI=1S/C19H15FN6OS3/c1-11-9-28-18(22-11)24-17(27)16-14(29-13-5-3-12(20)4-6-13)7-8-15(23-16)30-19-25-21-10-26(19)2/h3-10H,1-2H3,(H,22,24,27)",SJTQKYKXCYVFHX-UHFFFAOYSA-N
DB07360,,"1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea",experimental,,,,,,AK1,,ZINC000020149037,CHEMBL472193,26315,,,24880024,FC(F)(F)C1=CC=CC(NC(=O)NC2=NC=C(CCNC3=NC=NC4=C3SC=C4)S2)=C1,"InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)",JJHXPDTVQKWKHA-UHFFFAOYSA-N
DB07362,,"1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea",experimental,,,,,,AK3,,ZINC000034602280,,,,,15602701,CN1N=CC2=C1C(NCCC1=CN=C(NC(=O)NC3=CC=CC(=C3)C(F)(F)F)S1)=NC=N2,"InChI=1S/C19H17F3N8OS/c1-30-15-14(9-27-30)25-10-26-16(15)23-6-5-13-8-24-18(32-13)29-17(31)28-12-4-2-3-11(7-12)19(20,21)22/h2-4,7-10H,5-6H2,1H3,(H,23,25,26)(H2,24,28,29,31)",UOLCZAFAGDOUFX-UHFFFAOYSA-N
DB07363,,"THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)",experimental,,,,,,AL5,,ZINC000002047864,,11929,,,444607,CC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1,"InChI=1S/C12H14N2O4S3/c1-9-2-4-10(5-3-9)8-14-21(17,18)12-7-6-11(19-12)20(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)",GUNRMHMEAWSZQE-UHFFFAOYSA-N
DB07364,,"6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE",experimental,,,,,,ALH,,ZINC000002540737,CHEMBL75680,7377,,,448912,CCCCC1=C(NC2=NC=CN=C12)C1=CC=C(O)C=C1,"InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)",PRIGRJPRGZCFAS-UHFFFAOYSA-N
DB07365,55516-54-6,1-Naphthyl-L-alanine,experimental,,,,,,ALN,,ZINC000000391807,,,,,6950503,N[C@@H](CC1=CC=CC2=C1C=CC=C2)C(O)=O,"InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1",OFYAYGJCPXRNBL-LBPRGKRZSA-N
DB07366,,2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER,experimental,,,,,,ALZ,,ZINC000003874384,,,,,444238,[H][C@]1(CCCN1C(=O)OCC1=CC=CC=C1)C(=O)NNCCCCN,"InChI=1S/C17H26N4O3/c18-10-4-5-11-19-20-16(22)15-9-6-12-21(15)17(23)24-13-14-7-2-1-3-8-14/h1-3,7-8,15,19H,4-6,9-13,18H2,(H,20,22)/t15-/m0/s1",MOCIXHUQBOUBAK-HNNXBMFYSA-N
DB07367,,"(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol",experimental,,,,,,AM3,,ZINC000038377610,,,,,,[H][C@]12CO\C(=N/CCCCCCCC)N1[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@@]2([H])O,"InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11+,12+,13-,14+/m1/s1",QJILQIWQVOAQBB-FOERHGQSSA-N
DB07368,,4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE,experimental,,,,,,AM4,,ZINC000001706264,CHEMBL186483,50153442,,,199994,CS(=O)(=O)C1=CC=C(C=C1)C(N)=N,"InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)",ANPBNAUKOUYEGJ-UHFFFAOYSA-N
DB07369,,"N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide",experimental,,,,,,AM8,,ZINC000016052528,,,,,17749728,CN(C1=CC(Cl)=CC=C1)S(=O)(=O)C1=CC2=C(CC3=C(C)C(C)=C(C)N3)C(=O)N=C2C=C1,"InChI=1S/C23H22ClN3O3S/c1-13-14(2)22(25-15(13)3)12-20-19-11-18(8-9-21(19)26-23(20)28)31(29,30)27(4)17-7-5-6-16(24)10-17/h5-11,25H,12H2,1-4H3",YMJLSOJLEXWATP-UHFFFAOYSA-N
DB07370,,"(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol",experimental,,,,,,AMF,,ZINC000053683014,,,,,,[H][C@]12CS\C(=N/CCCCCCCC)N1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O,"InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1",HXWFEIXEWVGTGU-KRIYVDMXSA-N
DB07371,,3-(10-methyl-9-anthryl)propanoic acid,experimental,,,,,,AN1,,ZINC000002047784,,,,40677,446967,CC1=C2C=CC=CC2=C(CCC(O)=O)C2=C1C=CC=C2,"InChI=1S/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20)",CKQINRXZVYBCSC-UHFFFAOYSA-N
DB07373,897-06-3,Boldione,experimental,,,,,,ANB,,ZINC000003881421,CHEMBL1078534,91718,,40799,13472,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",LUJVUUWNAPIQQI-QAGGRKNESA-N
DB07374,22862-76-6,Anisomycin,experimental,,,,,,ANM,,ZINC000000000954,CHEMBL423192,63919,,338412,253602,[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O,"InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1",YKJYKKNCCRKFSL-RDBSUJKOSA-N
DB07375,1229-12-5,Etiocholanedione,experimental,,,,,,ANO,,ZINC000004096200,CHEMBL1230988,,,16985,440114,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1",RAJWOBJTTGJROA-QJISAEMRSA-N
DB07376,,5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID),experimental,,,,,,ANS,,ZINC000002140948,,,,,1792,CN(C)C1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O,"InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)",BBEQQKBWUHCIOU-UHFFFAOYSA-N
DB07377,,"N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE",experimental,,,,,,AO5,,ZINC000001909912,CHEMBL352764,17594,,,448285,[H][C@@](N)(CCSC(C)C)[C@]([H])(O)C(=O)NNC(=O)C1=CC(Cl)=CC=C1,"InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1",BYBVYIPUGPZRSX-OLZOCXBDSA-N
DB07378,,"4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL",experimental,,,,,,AOG,,ZINC000053683016,,,,,448297,[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O,"InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1",HABUHWBZDNZBSI-MBJXGIAVSA-N
DB07379,,(2S)-2-({6-[(3-Amino-5-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol,experimental,,,,,,AP9,,,,,,,6914609,[H][C@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC(Cl)=CC(N)=C2)=N1)C(C)C,"InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m1/s1",RAMROQQYRRQPDL-OAHLLOKOSA-N
DB07380,,"1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)",experimental,,,,,,APF,,,,,,,124969,[H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(=O)C(F)(F)F,"InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)/t10-/m0/s1",JTIIYPHJIDENCW-JTQLQIEISA-N
DB07381,13113-71-8,(S)-atrolactic acid,experimental,,,,,,APG,,ZINC000000161958,,,,40741,445144,CC(O)(C(O)=O)C1=CC=CC=C1,"InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1",NWCHELUCVWSRRS-VIFPVBQESA-N
DB07382,,"N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine",experimental,,,,,,APJ,,ZINC000040163635,CHEMBL1231018,,,,42627755,C1CC1C1=NNC(NC2=CC=NC(NC3=CC4=C(NC=N4)C=C3)=N2)=C1,"InChI=1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)",WJNBSTLIALIIEW-UHFFFAOYSA-N
DB07383,,"N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE",experimental,,,,,,APL,,ZINC000002047038,,,,,445824,[H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(O)(O)C(F)(F)F,"InChI=1S/C12H14F3NO3/c1-8(17)16-10(11(18,19)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10,18-19H,7H2,1H3,(H,16,17)/t10-/m0/s1",NETPVFJEHOGNPJ-JTQLQIEISA-N
DB07384,,1-ACETYL-2-CARBOXYPIPERIDINE,experimental,,,,,,APP,,ZINC000169386053,,,,,5287692,[H][C@]1(CCCCN1C(C)=O)C(O)=O,"InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1",JACZWLDAHFCGCC-ZETCQYMHSA-N
DB07385,,"3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE",experimental,,,,,,ARH,,,,,,,,[H][C@@]1(C)C[N@@]1C1=CC(=O)C2=C(C(CO)=C(N2C)C2=CC=CC=C2)C1=O,"InChI=1S/C19H18N2O3/c1-11-9-21(11)14-8-15(23)18-16(19(14)24)13(10-22)17(20(18)2)12-6-4-3-5-7-12/h3-8,11,22H,9-10H2,1-2H3/t11-,21+/m1/s1",RQFCSAVLOHDQNB-FIKIJFGZSA-N
DB07387,,3-(BUTYLSULPHONYL)-PROPANOIC ACID,experimental,,,,,,ASF,,ZINC000003130413,,,,,4290313,CCCCS(=O)(=O)CCC(O)=O,"InChI=1S/C7H14O4S/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9)",GSHVAQAKBLEIEY-UHFFFAOYSA-N
DB07388,,ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE,experimental,,,,,,AT2,,,CHEMBL420671,50148162,,,11149707,CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1,"InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)",LNRMJBWADUSJTA-UHFFFAOYSA-N
DB07389,,N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE,experimental,,,,,,AT6,,ZINC000000008707,CHEMBL1221659,36399,,,10221335,CC1=CC(N)=NC(CCNC(=O)C2=CC=C(C=C2)C#N)=C1,"InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21)",QINCZVSBLITNRD-UHFFFAOYSA-N
DB07390,,"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-N-methyl-3-phenyl-propionamide",experimental,,,,,,ATT,,ZINC000006379443,CHEMBL249847,50241372,,,4369084,CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC1=NNC(=S)S1,"InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1",RKWXKADYTDWZIJ-VIFPVBQESA-N
DB07391,,"(2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE",experimental,,,,,,ATX,,,,,,40893,6852125,[H][C@@](C)(N)C(=O)C1=NN=C(O1)C(C)(C)C,"InChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1",PVDZDTVFUVTTDU-YFKPBYRVSA-N
DB07392,1912-24-9,Atrazine,experimental,,,,,,ATZ,,ZINC000003078958,CHEMBL15063,,,15930,2256,CCNC1=NC(NC(C)C)=NC(Cl)=N1,"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",MXWJVTOOROXGIU-UHFFFAOYSA-N
DB07393,,"2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE",experimental,,,,,,AUP,,ZINC000035837003,,,,,11505541,C1CCC2=C(P(C(=C2C1)C1=NC=CC=C1)C1=CC=CC=C1)C1=NC=CC=C1,"InChI=1S/C24H21N2P/c1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22/h1-3,6-11,14-17H,4-5,12-13H2",GSKNNHAAFLPYHG-UHFFFAOYSA-N
DB07394,,AUROVERTIN B,experimental,,,,,,AUR,,ZINC000028539463,,,,,444853,[H][C@]1(CC)O[C@]2(C)[C@]([H])(OC(C)=O)[C@@]1(C)O[C@@]([H])(\C=C\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1)[C@]2([H])O,"InChI=1S/C25H32O8/c1-7-20-24(4)23(30-16(3)26)25(5,33-20)22(28)18(32-24)13-11-9-8-10-12-17-15(2)19(29-6)14-21(27)31-17/h8-14,18,20,22-23,28H,7H2,1-6H3/b9-8+,12-10+,13-11+/t18-,20+,22-,23+,24-,25-/m0/s1",QXCOFYWOWZJFEA-YJMRODJJSA-N
DB07395,,"4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid",experimental,,,,,,AVE,,ZINC000003818707,,,,,16070039,OC(=O)C1=CC=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C(OC(F)(F)F)=C1,"InChI=1S/C16H8ClF5N2O5/c17-8-5-10(19)9(18)4-7(8)13(25)24-15(28)23-11-2-1-6(14(26)27)3-12(11)29-16(20,21)22/h1-5H,(H,26,27)(H2,23,24,25,28)",NWQGDIBCFLDHDO-UHFFFAOYSA-N
DB07396,648917-13-9,AVE-2865,experimental,,,,,,AVF,,ZINC000053683030,CHEMBL1231099,,,,12148754,OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1,"InChI=1S/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31)",KAJJGOCSAXKXBD-UHFFFAOYSA-N
DB07397,,"(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide",experimental,,,,,,AXA,,ZINC000039153190,,,,,25174099,[H][C@@]1(CC(N)=O)CCCC2=C1C1=C(S2)N=C(NC1=O)C(=O)NCC1=CC=C2OCC(=O)NC2=C1,"InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)/t11-/m0/s1",ITADELAVAWJACR-NSHDSACASA-N
DB07398,,"2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE",experimental,,,,,,AXX,,ZINC000000035547,CHEMBL379367,50185119,,,673481,NC(=O)C1=C(NC(=O)C2CC2)SC2=C1CCCC2,"InChI=1S/C13H16N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7H,1-6H2,(H2,14,16)(H,15,17)",VATFNEMGBRWLHI-UHFFFAOYSA-N
DB07400,,1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE,experimental,,,,,,AZL,,ZINC000003870519,,,,,444224,[H][C@](CC1=CC=CC=C1)(NC(=O)OCC)C(=O)N1CCC[C@@]1([H])C(=O)NNCCCCN,"InChI=1S/C21H33N5O4/c1-2-30-21(29)24-17(15-16-9-4-3-5-10-16)20(28)26-14-8-11-18(26)19(27)25-23-13-7-6-12-22/h3-5,9-10,17-18,23H,2,6-8,11-15,22H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1",AEHSFPPTWRQOFS-MSOLQXFVSA-N
DB07401,131860-33-8,Azoxystrobin,experimental,,,,,,AZO,,ZINC000013827839,CHEMBL230001,50487147,,40909,3034285,CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1,"InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+",WFDXOXNFNRHQEC-GHRIWEEISA-N
DB07402,13539-59-8,Azapropazone,withdrawn,,M01AX04,D02966,1029,,AZQ,266,ZINC000033821211,,,,,46937068,[H][C@@]1(CC=C)C(=O)N2N(C1=O)C1=CC(C)=CC=C1N=C2N(C)C,"InChI=1S/C16H18N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h5,7-9,11H,1,6H2,2-4H3/t11-/m0/s1",WOIIIUDZSOLAIW-NSHDSACASA-N
DB07403,,"4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE",experimental,,,,,,AZX,,ZINC000001547088,CHEMBL1231132,50236535,,49490,16741245,CN(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)[C@@](C)(O)C(F)(F)F)C(Cl)=C1,"InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1",DTDZLJHKVNTQGZ-GOSISDBHSA-N
DB07404,,BPH-608,experimental,,,,,,B08,,ZINC000016051959,CHEMBL213490,25279,,,16086422,OC(CC1=CC=CC(=C1)C1=CC(=CC=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)",YXQQNSYZOQHKHD-UHFFFAOYSA-N
DB07405,,"1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE",experimental,,,,,,B14,,ZINC000001489460,CHEMBL447183,50124535,,,9886249,NC1=NC2(CCN(CC2)C(=O)C2=CC=C(N=C2)C#N)NC2=C(F)C=CC(F)=C12,"InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)",GIZYIOOBBUHOBS-UHFFFAOYSA-N
DB07406,,"(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE",experimental,,,,,,B18,,ZINC000028902330,,,,,16741237,[H][C@]1(C)CNC(=O)C2=C1C1=CC(=CC=C1N2)C(=O)NC1=NC(=CS1)C(=O)NCCN(C)C,"InChI=1S/C21H24N6O3S/c1-11-9-23-20(30)17-16(11)13-8-12(4-5-14(13)24-17)18(28)26-21-25-15(10-31-21)19(29)22-6-7-27(2)3/h4-5,8,10-11,24H,6-7,9H2,1-3H3,(H,22,29)(H,23,30)(H,25,26,28)/t11-/m0/s1",QWFFPYQWUWLDBV-NSHDSACASA-N
DB07407,,5-(2-METHOXYPHENYL)-2-FUROIC ACID,experimental,,,,,,B21,,ZINC000000265874,CHEMBL372832,50175430,,,776315,COC1=C(C=CC=C1)C1=CC=C(O1)C(O)=O,"InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)",CHWVDGYLKPLBES-UHFFFAOYSA-N
DB07408,,5-(2-NITROPHENYL)-2-FUROIC ACID,experimental,,,,,,B23,,ZINC000000155127,CHEMBL425386,50175439,,,736027,OC(=O)C1=CC=C(O1)C1=C(C=CC=C1)[N+]([O-])=O,"InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-3-1-2-4-8(7)12(15)16/h1-6H,(H,13,14)",XUFDYUSOQQYQRL-UHFFFAOYSA-N
DB07409,,"(1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID",experimental,,,,,,B28,,,CHEMBL262616,25266,,,16122554,OC(CC1=CC=CC(=C1)C1=CC=C(C=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)",MPBUFKZCEBTBSK-UHFFFAOYSA-N
DB07410,,[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID,experimental,,,,,,B29,,ZINC000016051958,CHEMBL411274,25288,,,16122553,OC(CC1=CC(=CC=C1)C1=CC=CC2=C1OC1=C2C=CC=C1)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)",BYVXAUZOTGITQZ-UHFFFAOYSA-N
DB07411,,PHENYLALANINE BORONIC ACID,experimental,,,,,,B2F,,,,,,,46937069,[H][C@](N)(CC1=CC=CC=C1)B(O)O,"InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1",OAZCLPVPUZOYGA-QMMMGPOBSA-N
DB07412,,1-biphenyl-2-ylmethanamine,experimental,,,,,,B2Y,,ZINC000001632969,CHEMBL257036,50375239,,,263366,NCC1=C(C=CC=C1)C1=CC=CC=C1,"InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10,14H2",YHXKXVFQHWJYOD-UHFFFAOYSA-N
DB07413,,5'-S-[2-(decylamino)ethyl]-5'-thioadenosine,experimental,,,,,,B32,,ZINC000053683035,,,,,12000133,[H][C@]1(CSCCNCCCCCCCCCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C22H38N6O3S/c1-2-3-4-5-6-7-8-9-10-24-11-12-32-13-16-18(29)19(30)22(31-16)28-15-27-17-20(23)25-14-26-21(17)28/h14-16,18-19,22,24,29-30H,2-13H2,1H3,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1",CJIJFWHOTNCRDA-WGQQHEPDSA-N
DB07414,,"(5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one",experimental,,,,,,B34,,ZINC000100035503,CHEMBL518647,,,,135874085,[H][C@@]1(C(C)C)N(CC2=CC=CC=C2)C(=O)C(=C1O)C1=NS(=O)(=O)C2=C1C=CC=C2,"InChI=1S/C21H20N2O4S/c1-13(2)19-20(24)17(21(25)23(19)12-14-8-4-3-5-9-14)18-15-10-6-7-11-16(15)28(26,27)22-18/h3-11,13,19,24H,12H2,1-2H3/t19-/m0/s1",XKOAFAIRGVAHRA-IBGZPJMESA-N
DB07415,,4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine,experimental,,,,,,B35,,ZINC000039279920,,,,,42628075,[H][C@@](CC1=CC(=CC=C1OC)[N+]([O-])=O)(C1=CNC(N)=N1)C1=CC=C(OC)C(F)=C1,"InChI=1S/C19H19FN4O4/c1-27-17-6-4-13(24(25)26)7-12(17)8-14(16-10-22-19(21)23-16)11-3-5-18(28-2)15(20)9-11/h3-7,9-10,14H,8H2,1-2H3,(H3,21,22,23)/t14-/m0/s1",RFLOFHKRBGKCOB-AWEZNQCLSA-N
DB07416,,(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE,experimental,,,,,,B3H,,ZINC000053683038,,,,,448271,[H][C@](CO)(COC(=O)CCCCCCCC)OC(=O)CCC,"InChI=1S/C16H30O5/c1-3-5-6-7-8-9-11-15(18)20-13-14(12-17)21-16(19)10-4-2/h14,17H,3-13H2,1-2H3/t14-/m0/s1",JCEXPOMAGTUEEX-AWEZNQCLSA-N
DB07418,,bis(4-nitrophenyl) hydrogen phosphate,experimental,,,,,,B4N,,ZINC000001529745,CHEMBL1231178,50130915,,3122,255,OP(=O)(OC1=CC=C(C=C1)[N+]([O-])=O)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)",MHSVUSZEHNVFKW-UHFFFAOYSA-N
DB07419,1010396-29-8,S-23,experimental,,,,,,B5R,,ZINC000039037278,CHEMBL512283,26261,,,24892822,C[C@](O)(COC1=CC=C(Cl)C(F)=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,"InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1",SSFVOEAXHZGTRJ-KRWDZBQOSA-N
DB07420,,(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid,experimental,,,,,,B65,,ZINC000024954499,CHEMBL1207949,,,,24748047,[H][C@@](CCCC1=CC=CC(OC2=CC=CC=C2)=C1)(P(O)(O)=O)S(O)(=O)=O,"InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1",RCGCZPXSRLLKCK-MRXNPFEDSA-N
DB07421,,"4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile",experimental,,,,,,B66,,ZINC000039037416,,,,,46937071,[H][C@](O)(NC1=CC(=C(C=C1)C#N)C(F)(F)F)[C@@](C)(O)COC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C18H16F3N3O5/c1-17(26,10-29-14-6-4-13(5-7-14)24(27)28)16(25)23-12-3-2-11(9-22)15(8-12)18(19,20)21/h2-8,16,23,25-26H,10H2,1H3/t16-,17+/m1/s1",INVUBEGZQHQAMY-SJORKVTESA-N
DB07422,,(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide,experimental,,,,,,B67,,ZINC000039037704,CHEMBL124493,26262,,,10174090,C[C@](O)(COC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O,"InChI=1S/C17H10F8N2O5/c1-16(29,5-32-14-12(21)10(19)9(18)11(20)13(14)22)15(28)26-6-2-3-8(27(30)31)7(4-6)17(23,24)25/h2-4,29H,5H2,1H3,(H,26,28)/t16-/m0/s1",MMNRWNREMUMYQG-INIZCTEOSA-N
DB07423,401900-40-1,Andarine,experimental,,,,,,B68,,ZINC000003991693,CHEMBL125236,18665,,94760,9824562,CC(=O)NC1=CC=C(OC[C@](C)(O)C(=O)NC2=CC=C(C(=C2)C(F)(F)F)[N+]([O-])=O)C=C1,"InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1",YVXVTLGIDOACBJ-SFHVURJKSA-N
DB07424,,Tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate,experimental,,,,,,B70,,,,,,,53320410,[K+].[K+].[K+].[O-]P([O-])(=O)[C@@H](CCCC1=CC=C(C=C1)C1=CC=CC=C1)S([O-])(=O)=O,"InChI=1S/C16H19O6PS.3K/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14;;;/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,20,21,22);;;/q;3*+1/p-3/t16-;;;/m1.../s1",LBNUOQAEVSXSSE-UFRNLTNDSA-K
DB07425,211110-63-3,Sobetirome,investigational,,,,,,B72,,ZINC000013475083,CHEMBL107400,50115668,QRX-431,79988,9862248,CC(C)C1=C(O)C=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=C1,"InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)",QNAZTOHXCZPOSA-UHFFFAOYSA-N
DB07426,,"[1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)",experimental,,,,,,B76,,ZINC000016051964,CHEMBL260880,25289,,,16122556,OC(COC1=CC=CC(=C1)C1=CC=CC(=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)",NWIARQRYIRVYCM-UHFFFAOYSA-N
DB07427,,2-[(2-methoxy-5-methylphenoxy)methyl]pyridine,experimental,,,,,,B77,,ZINC000053683040,,,,,44129642,COC1=C(OCC2=NC=CC=C2)C=C(C)C=C1,"InChI=1S/C14H15NO2/c1-11-6-7-13(16-2)14(9-11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3",AVXQTLSOXWQOHO-UHFFFAOYSA-N
DB07428,,4-[(5-methoxy-2-methylphenoxy)methyl]pyridine,experimental,,,,,,B78,,ZINC000053683042,,,,,46937073,COC1=CC(OCC2=CC=NC=C2)=C(C)C=C1,"InChI=1S/C14H15NO2/c1-11-3-4-13(16-2)9-14(11)17-10-12-5-7-15-8-6-12/h3-9H,10H2,1-2H3",MBHBRRBLXCXQKV-UHFFFAOYSA-N
DB07429,,2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid,experimental,,,,,,B82,,ZINC000000859479,CHEMBL178657,23570,,,1121782,CCN(CC)S(=O)(=O)C1=CC(=CC=C1Br)C(=O)NC1=CC=CC=C1C(O)=O,"InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)",VNOMZKMKBNFCMC-UHFFFAOYSA-N
DB07430,,"(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one",experimental,,,,,,B97,,ZINC000039258365,CHEMBL1231206,50395272,,,44631903,[H][C@@]1(C)CNC2=C(SC3=C2C2=C(C=C3)N=C(C=C2)C2=CN=C(C)C=C2)C(=O)N1,"InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1",CMWRPDHVGMHLSZ-GFCCVEGCSA-N
DB07431,,"(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one",experimental,,,,,,B98,,ZINC000039258537,CHEMBL555205,50297151,,,45273683,[H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1,"InChI=1S/C13H15N3O2S/c1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t7-/m1/s1",TXYKBKYDFZQOCB-SSDOTTSWSA-N
DB07432,,"[[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate",experimental,,,,,,NP6,,ZINC000034600850,CHEMBL255476,,,,11509180,[H][C@]1(CO)O\C(=N/OC(=O)NC2=CC=CC=C2)[C@]([H])(NC(=O)CCC)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C17H23N3O7/c1-2-6-12(22)19-13-15(24)14(23)11(9-21)26-16(13)20-27-17(25)18-10-7-4-3-5-8-10/h3-5,7-8,11,13-15,21,23-24H,2,6,9H2,1H3,(H,18,25)(H,19,22)/b20-16-/t11-,13-,14-,15-/m1/s1",ITVRELFVFCOUMV-ZVZWZHPPSA-N
DB07433,,(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE,experimental,,,,,,BAF,,ZINC000003870446,,,,,5287737,[H][C@](C)(NC=O)NC(=O)[C@]([H])(C)NC(=O)OC(C)(C)C,"InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1",MNUWNIQGBRBQRE-YUMQZZPRSA-N
DB07434,,HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE,experimental,,,,,,BAN,,ZINC000029342430,,,,,46937074,[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)C(=O)NO)C(=O)NCC(=O)NC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C21H23N5O7/c1-13(23-20(29)17(21(30)25-31)11-14-5-3-2-4-6-14)19(28)22-12-18(27)24-15-7-9-16(10-8-15)26(32)33/h2-10,13,17,31H,11-12H2,1H3,(H,22,28)(H,23,29)(H,24,27)(H,25,30)/t13-,17-/m0/s1",TZWQPWGUQCSKDW-GUYCJALGSA-N
DB07435,,"1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE",experimental,,,,,,BAP,,,,,,,5287739,[H][C@@]1(O)CC2=C3C=CC4=CC=CC5=CC=C(C=C2[C@@]([H])(O)[C@]1([H])O)C3=C45,"InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1",GFANZDFKCCJYRF-NSISKUIASA-N
DB07436,,N-(1-PHENYL-PROPYL)-FORMAMIDE,experimental,,,,,,BAS,,,,,,,446532,[H][C@](CC)(NC=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,11,12)/t10-/m1/s1",UERJGKDKJBSKQN-SNVBAGLBSA-N
DB07437,82857-69-0,5-Benzylacyclouridine,experimental,,,,,,BAU,,,CHEMBL17432,50026387,,41037,54929,OCCOCN1C=C(CC2=CC=CC=C2)C(=O)NC1=O,"InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)",SPJAGILXQBHHSZ-UHFFFAOYSA-N
DB07439,,"1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE",experimental,,,,,,BBB,,ZINC000033821216,,50330391,,,5287741,OCCOCN1C(=O)NC(=O)C(CC2=CC=CC(OCC3=CC=CC=C3)=C2)=C1O,"InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)",CAWXCABXSPTFRN-UHFFFAOYSA-N
DB07440,,4-TERT-BUTYLBENZENESULFONIC ACID,experimental,,,,,,BBS,,ZINC000001565641,,,,,324690,CC(C)(C)C1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)",LZQMCUIWYRQLOG-UHFFFAOYSA-N
DB07441,,"3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID",experimental,,,,,,BC1,,ZINC000002047786,,,,40940,446965,CN1C2=CC=CC=C2C(C#N)(C(=O)NCCC(O)=O)C2=C1C=CC=C2,"InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24)",FRBAOMHMZCGBOJ-UHFFFAOYSA-N
DB07443,,(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide,experimental,,,,,,BCE,,ZINC000100035523,CHEMBL519160,,,,54727972,C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-",MUVPBAIVOHJDOC-VBKFSLOCSA-N
DB07444,,"6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE",experimental,,,,,,BD4,,ZINC000034114913,,,,,6540255,CC1=CC2=C(C=C1)N(CCCN)C1=C2C2=C(C(=O)NC2=O)C(C)=C1,"InChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)",PKPNSCZPIWCHMW-UHFFFAOYSA-N
DB07445,,"N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE",experimental,,,,,,BDE,,ZINC000000711748,CHEMBL514988,31917,,,135459112,OC1=C(Br)C=C(\C=N\NC(=O)C2=CN=CC=C2)C(O)=C1Br,"InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+",PYVJEAZDEZTGIS-UBKPWBPPSA-N
DB07446,,N-(biphenyl-4-ylsulfonyl)-D-leucine,experimental,,,,,,BDL,,,,,,,25271580,[H][C@](CC(C)C)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1",FBSVJQQVDISETN-QGZVFWFLSA-N
DB07447,571-22-2,5beta-dihydrotestosterone,experimental,,,,,,BDT,,ZINC000003814418,CHEMBL373357,50410540,,2150,11302,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1",NVKAWKQGWWIWPM-MISPCMORSA-N
DB07448,,(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid,experimental,,,,,,BEY,,ZINC000013522020,CHEMBL393949,,,,25138289,[H][C@@](CC1=CC=CC=C1)(C[P@](O)(=O)[C@]([H])(N)CCC1=CC=CC=C1)C(O)=O,"InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1",QELOIXSGJMIHBZ-MSOLQXFVSA-N
DB07449,,N-[(1S)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide,experimental,,,,,,BFB,,ZINC000016051936,,,,,46937075,C\C(N)=N/CCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O,"InChI=1S/C14H20N4O2/c1-10(15)17-9-5-8-12(13(16)19)18-14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H2,15,17)(H2,16,19)(H,18,20)/t12-/m0/s1",LWFFSSMDFWZNNW-LBPRGKRZSA-N
DB07450,,(R)-minalrestat,experimental,,,,,,BFI,,ZINC000000597385,CHEMBL292963,50038843,,,447950,[H]N1C(=O)C[C@@]2(C1=O)C(=O)N(CC1=C(F)C=C(Br)C=C1)C(=O)C1=C2C=C(F)C=C1,"InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1",BMHZAHGTGIZZCT-LJQANCHMSA-N
DB07451,,1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA,experimental,,,,,,BFU,,ZINC000003870489,,2733,,,445332,[H][C@@]1(C[C@@]1([H])C1=C(F)C=CC(C(=O)CC)=C1O)NC(=O)NC1=NC=C(Br)C=C1,"InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1",VRAJWAGCJIXJHQ-YPMHNXCESA-N
DB07452,,"2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",experimental,,,,,,BGU,,,,,,,135566394,NC1=NC2=C(N1)C=C1C(=O)NC(N)=NC1=C2,"InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16)",WFECBOHPSURSGU-UHFFFAOYSA-N
DB07453,604-59-1,alpha-Naphthoflavone,experimental,,,,,,BHF,,ZINC000000038933,CHEMBL283196,50014323,,76995,11790,O=C1C=C(OC2=C1C=CC1=C2C=CC=C1)C1=CC=CC=C1,InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H,VFMMPHCGEFXGIP-UHFFFAOYSA-N
DB07454,,(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE,experimental,,,,,,BHM,,ZINC000013581050,CHEMBL296323,18699,,,5287785,C[C@](O)(CBr)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,"InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1",QDSWNDMHSBZXKX-JTQLQIEISA-N
DB07455,,"N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide",experimental,,,,,,BHY,,ZINC000024962151,,,,,22489160,[H][C@](C)(CNS(C)(=O)=O)C1=CC=C(C=C1)C1=CC=C(C=C1)[C@@]([H])(C)CNS(C)(=O)=O,"InChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16-/m0/s1",ZESUARCHWPARIF-HOTGVXAUSA-N
DB07456,,"3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione",experimental,,,,,,BI2,,ZINC000002560260,,,,,448943,[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@H]2CCCN2C)C2=CC=CC=C12,"InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)/t17-/m1/s1",LBFDERUQORUFIN-QGZVFWFLSA-N
DB07457,,"3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE",experimental,,,,,,BI3,,ZINC000002560261,CHEMBL270875,2691,,41059,2398,NCCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)",APYXQTXFRIDSGE-UHFFFAOYSA-N
DB07458,,"3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione",experimental,,,,,,BI4,,ZINC000003871740,,,,,448642,[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@@H]2CCCN2C)C2=CC=CC=C12,"InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)/t17-/m0/s1",LBFDERUQORUFIN-KRWDZBQOSA-N
DB07459,,4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE,experimental,,,,,,BI5,,ZINC000013284470,CHEMBL199237,50174097,,41135,2352168,O=C(NCC1=NC=CC=C1)C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)",HVLSCZSVTCNAQX-UHFFFAOYSA-N
DB07460,,2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE,experimental,,,,,,BI9,,ZINC000020148986,CHEMBL458997,50334594,,91452,9934347,CNC(=O)C1=C(NC2=NC(NC3=CC=C(C=C3OC)N3CCOCC3)=NC=C2Cl)C=CC=C1,"InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)",UYJNQQDJUOUFQJ-UHFFFAOYSA-N
DB07461,,"3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE",experimental,,,,,,BIC,,ZINC000031260442,,,,,5287789,[H][C@]1(CCN2CC[C@@](N)(CC3=CC=CC=C3)C(=O)N12)C=O,"InChI=1S/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1",JVDDTUQPPBUQDD-DZGCQCFKSA-N
DB07462,,"(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE",experimental,,,,,,BIE,,ZINC000013677656,,,,,6914595,OC1=CC=C(C(=O)C2=CC=CC=C2)C(=C1O)[N+]([O-])=O,"InChI=1S/C13H9NO5/c15-10-7-6-9(11(13(10)17)14(18)19)12(16)8-4-2-1-3-5-8/h1-7,15,17H",ICLKAUQIPVFHOI-UHFFFAOYSA-N
DB07463,,"(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol",experimental,,,,,,BIG,,ZINC000013648011,CHEMBL1231347,36436,,,11393519,[H][C@]1(O)CN(CC2=CNC3=C2N=CN=C3N)C[C@]1([H])CSCCCC,"InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1",LTSUEVPGSXUJHT-OLZOCXBDSA-N
DB07464,,1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID,experimental,,,,,,BJH,,ZINC000169748495,,,,,5287794,[H][C@@](CC1=CC=CC(C(O)=O)=C1O)(NC(C)=O)B(O)O,"InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1",MSRKDROGGGBNIX-VIFPVBQESA-N
DB07465,,"(1S,3S,5S)-2-{(2S)-2-amino-2-[(1R,3S,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]acetyl}-2-azabicyclo[3.1.0]hexane-3-carbonitrile",experimental,,,,,,BJM,,ZINC000100035546,,,,,,[H][C@@](N)(C(=O)N1[C@@]2([H])C[C@@]2([H])C[C@@]1([H])C#N)[C@]12C[C@@]3([H])C[C@]([H])(C[C@](O)(C3)C1)C2,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10-,11+,12-,13+,14+,15-,17+,18-/m1/s1",QGJUIPDUBHWZPV-YQBUGCKMSA-N
DB07466,,(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID,experimental,,,,,,BJP,,ZINC000169748496,,,,,5287796,[H][C@@](CC1=CC=CC(=C1)C(O)=O)(NC(=O)CC1=CC=CC=C1)B(O)O,"InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1",ZAHVYMBTUDWUAX-HNNXBMFYSA-N
DB07467,77083-53-5,(S)-Indapamide,experimental,,,,,,BL1,,ZINC000000601305,,,,,12598931,C[C@H]1CC2=C(C=CC=C2)N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O,"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)/t10-/m0/s1",NDDAHWYSQHTHNT-JTQLQIEISA-N
DB07468,,"(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",experimental,,,,,,BL4,,ZINC000024970237,CHEMBL1231375,,,,24178119,CC1=C2C(=CC=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1,"InChI=1S/C18H16N2O2/c1-12-6-5-9-14-15(12)16(21)18(22)10-11-20(17(18)19-14)13-7-3-2-4-8-13/h2-9,22H,10-11H2,1H3/t18-/m1/s1",NJBBBRZNBVLTRZ-GOSISDBHSA-N
DB07469,,"(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",experimental,,,,,,BL6,,ZINC000024970236,CHEMBL1231377,,,,24178120,CC1=CC=C2C(=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1,"InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1",KAJFGRLMKVNMLH-GOSISDBHSA-N
DB07470,,"(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",experimental,,,,,,BL7,,ZINC000024970238,CHEMBL1231378,,,,24178121,O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1,"InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1",DOMYOVZXZIZTRD-QGZVFWFLSA-N
DB07471,,"5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE",experimental,,,,,,BLZ,,ZINC000016052682,CHEMBL222419,28206,,,11957417,[H][C@](C)(OC1=C(SC(=C1)N1C=NC2=CC(OC)=C(OC)C=C12)C(N)=O)C1=CC=CC=C1Cl,"InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1",UHCHLTQBLNUYRT-GFCCVEGCSA-N
DB07472,,"(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE",experimental,,,,,,BM1,,ZINC000003871749,CHEMBL430639,1369,,,444703,CC1=CC(=CC=C1)[C@]12SCCN1C(=O)C1=CC=CC=C21,"InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3/t17-/m1/s1",FQVDJZWFSZSGGA-QGZVFWFLSA-N
DB07473,,"(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER",experimental,,,,,,BM5,,ZINC000003871752,,,,,444704,COC(=O)[C@@H]1CS[C@]2(N1C(=O)C1=CC=CC=C21)C1=CC=CC=C1,"InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1",JYIHODAXBBPFQF-MAUKXSAKSA-N
DB07474,,3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE,experimental,,,,,,BMI,,ZINC000016052301,CHEMBL397666,50206120,,,135530418,CC1=CC(=CC2=C1N=C(N2)C1=C(NCC2=NC=CC=C2)C=CNC1=O)N1C=CN=C1,"InChI=1S/C22H19N7O/c1-14-10-16(29-9-8-23-13-29)11-18-20(14)28-21(27-18)19-17(5-7-25-22(19)30)26-12-15-4-2-3-6-24-15/h2-11,13H,12H2,1H3,(H,27,28)(H2,25,26,30)",GLTRPHMPCVLOJS-UHFFFAOYSA-N
DB07476,,N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE,experimental,,,,,,BOS,,,CHEMBL386049,11053,,,462919,NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2S)C=C1,"InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)",MRLVIVXGUGNENL-UHFFFAOYSA-N
DB07477,5728-52-9,Felbinac,experimental,,M02AA08,,262307,PA166049177,BP4,1141,ZINC000000002318,CHEMBL413965,223312,FELBINAC,31597,3332,OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)",QRZAKQDHEVVFRX-UHFFFAOYSA-N
DB07478,92-05-7,"3,4-Biphenyldiol",experimental,,,,,,BP7,,ZINC000000436616,CHEMBL475398,,,,7075,OC1=C(O)C=C(C=C1)C1=CC=CC=C1,"InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H",QDNPCYCBQFHNJC-UHFFFAOYSA-N
DB07479,,"(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL",experimental,,,,,,BPI,,ZINC000033607667,,,,,5287834,[H][C@@]1(O)CC2=C(C=CC3=C2C2=C(C=CC=C2)C=C3)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m1/s1",WCUHTHVUZQCBTI-KBAYOESNSA-N
DB07480,,4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN,experimental,,,,,,BPM,,ZINC000003871034,,,,,1757,OP(O)(=O)OC1=CC=C(CC2=CC=C(OP(O)(O)=O)C=C2)C=C1,"InChI=1S/C13H14O8P2/c14-22(15,16)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-23(17,18)19/h1-8H,9H2,(H2,14,15,16)(H2,17,18,19)",LGSCVLKUKMBYNC-UHFFFAOYSA-N
DB07481,,"tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate",experimental,,,,,,BPQ,,ZINC000039046718,,,,,135566413,CC(C)(C)OC(=O)NCC1=CNC2=C1C(=O)NC(N)=N2,"InChI=1S/C12H17N5O3/c1-12(2,3)20-11(19)15-5-6-4-14-8-7(6)9(18)17-10(13)16-8/h4H,5H2,1-3H3,(H,15,19)(H4,13,14,16,17,18)",RXVQMCMIOHBKNE-UHFFFAOYSA-N
DB07482,,(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE,experimental,,,,,,BPR,,ZINC000169748497,CHEMBL63895,50050521,,41285,10198228,[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1)B(O)O,"InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1",XSBZZZGVAIXJLD-YUMQZZPRSA-N
DB07483,,"1,1'-BIPHENYL-2-SULFINIC ACID",experimental,,,,,,BPS,,,,,,,9543498,O[S@@](=O)C1=CC=CC=C1C1=CC=CC=C1,"InChI=1S/C12H10O2S/c13-15(14)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,13,14)",LZCLZDCSBDVAOV-UHFFFAOYSA-N
DB07484,,"(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid",experimental,,,,,,BPX,,ZINC000039258292,,,,,44176354,[H][C@@](CC1=CC=CC=C1)(CC(O)(O)C[N+]([O-])=O)C(O)=O,"InChI=1S/C12H15NO6/c14-11(15)10(6-9-4-2-1-3-5-9)7-12(16,17)8-13(18)19/h1-5,10,16-17H,6-8H2,(H,14,15)/t10-/m1/s1",CGGNZMVODZPHHK-SNVBAGLBSA-N
DB07485,843-55-0,Bisphenol Z,experimental,,,,,,BPZ,,ZINC000000225610,CHEMBL1231453,,,165198,232446,OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(O)C=C1,"InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2",SDDLEVPIDBLVHC-UHFFFAOYSA-N
DB07486,,"3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline",experimental,,,,,,BQM,,ZINC000034637608,CHEMBL478464,50263548,,,11712628,NC1=CC=CC(SC2=CC=C(\C=C\C(=O)N3CCOCC3)C(=C2C(F)(F)F)C(F)(F)F)=C1,"InChI=1S/C21H18F6N2O2S/c22-20(23,24)18-13(5-7-17(30)29-8-10-31-11-9-29)4-6-16(19(18)21(25,26)27)32-15-3-1-2-14(28)12-15/h1-7,12H,8-11,28H2/b7-5+",KLSZVPNVFKKIRD-FNORWQNLSA-N
DB07487,,"(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE",experimental,,,,,,BR3,,,,,,,5287837,[H][C@@]1(C[P@@]([H])([O-])=O)CCC2=CC(C)=CC=C2O1,"InChI=1S/C11H15O3P/c1-8-2-5-11-9(6-8)3-4-10(14-11)7-15(12)13/h2,5-6,10,15H,3-4,7H2,1H3,(H,12,13)/p-1/t10-/m0/s1",QTHZTDVLJRQOGF-JTQLQIEISA-M
DB07488,727685-49-6,"{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone",experimental,,,,,,BRK,,ZINC000001432663,CHEMBL563377,69812,,,399618,COC1=CC=C(C=C1)\N=C1\NC(N)=C(S1)C(=O)C1=CC=C(OC)C=C1,"InChI=1S/C18H17N3O3S/c1-23-13-7-3-11(4-8-13)15(22)16-17(19)21-18(25-16)20-12-5-9-14(24-2)10-6-12/h3-10H,19H2,1-2H3,(H,20,21)",XQKUGFIWKSKCDL-UHFFFAOYSA-N
DB07489,,"4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium",experimental,,,,,,BRQ,,,,,,,10062702,[H]N([H])C1=C(SC(N([H])C2=CC(Cl)=CC=C2)=[N+]1[H])C(=O)C1=CC=C(F)C=C1,"InChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21)/p+1",WWGPTHOMFHDEEC-UHFFFAOYSA-O
DB07490,,"2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL",experimental,,,,,,BRS,,ZINC000002043435,,,,,446716,[H][C@@](C)(C1=CC=C(Cl)C=C1)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C14H11ClN2O5/c1-8(9-2-4-10(15)5-3-9)12-6-11(16(19)20)7-13(14(12)18)17(21)22/h2-8,18H,1H3/t8-/m1/s1",MOZUMFSUQQHSCO-MRVPVSSYSA-N
DB07491,,"5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid",experimental,,,,,,BRV,,ZINC000044678079,,,,,18432427,NC1=C(Br)C(C(O)=O)=C(Br)C(C(O)=O)=C1Br,"InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)",KGKQFJKPOZCZLD-UHFFFAOYSA-N
DB07492,16803-75-1,Bromamphenicol,experimental,,,,,,BRX,,,,,,,25113101,[H][C@](CO)(NC(=O)C(Br)Br)[C@]([H])(O)C1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",UWOHGNMWBGIRAQ-RKDXNWHRSA-N
DB07493,60874-72-8,5-Bromoindirubin,experimental,,,,,,BRY,,ZINC000100035566,CHEMBL1231469,50142632,,,,[H]N1C(=O)\C(C2=C1C=CC(Br)=C2)=C1/N([H])C2=CC=CC=C2C1=O,"InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)/b14-13-",IEQQJQHHJMQETK-YPKPFQOOSA-N
DB07494,,"(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE",experimental,,,,,,BS1,,ZINC000100035570,,,,,,[H][C@]12CC[C@]([H])(C[C@]([H])(C1)OC1C3=CC=CC=C3CCC3=C1C=CC=C3)[N+]2(C)C,"InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21-",BADPXOSJBUEVTR-WKCHPHFGSA-N
DB07495,,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE",experimental,,,,,,BSM,,ZINC000004617893,CHEMBL365617,15372,,47273,4369536,CCNC(=O)C1=NNC(=C1C1=CC=C(OC)C=C1)C1=CC(Cl)=C(O)C=C1O,"InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)",HUNAOTXNHVALTN-UHFFFAOYSA-N
DB07496,102-07-8,"1,3-diphenylurea",experimental,,,,,,BSU,,ZINC000012416741,CHEMBL354676,25725,,41320,7595,O=C(NC1=CC=CC=C1)NC1=CC=CC=C1,"InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",GWEHVDNNLFDJLR-UHFFFAOYSA-N
DB07497,,"5-(hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-yl)pentanal",experimental,,,,,,BTI,,ZINC000036470912,,,,,11840927,[H]N1C(=O)N([H])[C@]2([H])[C@H](CCCCC=O)SC[C@]12[H],"InChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1",ARDNWGMSCXSPBF-CIUDSAMLSA-N
DB07498,,"4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID",experimental,,,,,,BTO,,ZINC000000150537,,16233,,41198,2797541,OC(=O)CCCC1=NC(=NO1)C1=CC(=CC=C1)[N+]([O-])=O,"InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)",LQQYZJRCWBRIMW-UHFFFAOYSA-N
DB07499,,"N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide",experimental,,,,,,BTZ,,ZINC000053683062,,,,,24856354,NC(N)=NCCCCNC(=O)C1=CSC(=N1)C1=CSC=N1,"InChI=1S/C12H16N6OS2/c13-12(14)16-4-2-1-3-15-10(19)8-6-21-11(18-8)9-5-20-7-17-9/h5-7H,1-4H2,(H,15,19)(H4,13,14,16)",VSIFMASDYAMOAN-UHFFFAOYSA-N
DB07500,,(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one,experimental,,,,,,BVL,,ZINC000019816069,CHEMBL1231518,246523,,,5321765,COC1=CC(O)=C(C=C1CC=C(C)C)C(=O)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+",ZUGCRBMNFSAUOC-YRNVUSSQSA-N
DB07501,,(2S)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol,experimental,,,,,,BWP,,ZINC000003581433,,,,,445958,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1,"InChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)/t17-/m0/s1",MEIJADBULOETOV-KRWDZBQOSA-N
DB07502,,"4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol",experimental,,,,,,BXZ,,ZINC000013583554,CHEMBL361078,20731,,,135433906,OC1=CC2=C(C=C1)C(=NO2)C1=CC(Br)=C(O)C=C1O,"InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H",LZACPHWPRDKUPK-UHFFFAOYSA-N
DB07503,,"(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE",experimental,,,,,,BYM,,ZINC000033821235,CHEMBL1231533,,,,5287855,FC1(F)OC2=C(O1)C=C(\C=C1/SC(=O)NC1=O)C=C2,"InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-",SRLVNYDXMUGOFI-YWEYNIOJSA-N
DB07504,,(2R)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol,experimental,,,,,,BYP,,ZINC000000589075,,,,,445957,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1,"InChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)/t17-/m1/s1",MEIJADBULOETOV-QGZVFWFLSA-N
DB07505,,"N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide",experimental,,,,,,BZN,,ZINC000053683066,,,,,25113136,[H][C@]1(COCC2=CC=CC=C2)CNC[C@]1([H])CN(CC(C)C)S(=O)(=O)C1=CC=CC=C1,"InChI=1S/C23H32N2O3S/c1-19(2)15-25(29(26,27)23-11-7-4-8-12-23)16-21-13-24-14-22(21)18-28-17-20-9-5-3-6-10-20/h3-12,19,21-22,24H,13-18H2,1-2H3/t21-,22-/m1/s1",DGURGFSAQIBQCO-FGZHOGPDSA-N
DB07506,,L-BENZYLSUCCINIC ACID,experimental,,,,,,BZS,,ZINC000000291743,CHEMBL259621,50373036,,41241,444797,[H][C@](CC(O)=O)(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1",GTOFKXZQQDSVFH-SECBINFHSA-N
DB07507,,"2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione",experimental,,,,,,C00,,ZINC000039047310,CHEMBL1231545,50350126,,,25134257,CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC(=CC=C1O)C1=CC=CC=C1,"InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3",ROMNEYAQUBNRLR-UHFFFAOYSA-N
DB07508,,4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE,experimental,,,,,,C02,,ZINC000002043397,CHEMBL46780,50112082,,,446805,CN1C(CC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(NS(=O)(=O)C1=CC=CC=C1)=C2,"InChI=1S/C22H21N5O2S/c1-27-20-12-11-17(26-30(28,29)18-5-3-2-4-6-18)14-19(20)25-21(27)13-15-7-9-16(10-8-15)22(23)24/h2-12,14,26H,13H2,1H3,(H3,23,24)",MEUAVGJWGDPTLF-UHFFFAOYSA-N
DB07509,,difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron,experimental,,,,,,C08,,ZINC000169748498,,,,,46937076,CCCCCCCCC1=CC=C2C=C3C=CC(CCCCC(O)=O)=[N+]3[B-](F)(F)N12,"InChI=1S/C22H31BF2N2O2/c1-2-3-4-5-6-7-10-18-13-15-20-17-21-16-14-19(11-8-9-12-22(28)29)27(21)23(24,25)26(18)20/h13-17H,2-12H2,1H3,(H,28,29)",JNKJCLYKBRBEKW-UHFFFAOYSA-N
DB07510,,"3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid",experimental,,,,,,C0E,,ZINC000058631354,,,,,23636976,OC(=O)C(\O)=C(\F)/C=C/C(=O)C1=CC=C(F)C=C1,"InChI=1S/C12H8F2O4/c13-8-3-1-7(2-4-8)10(15)6-5-9(14)11(16)12(17)18/h1-6,16H,(H,17,18)/b6-5+,11-9-",CPZFGNOKCMJZFO-BTHQEHEQSA-N
DB07511,,"4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile",experimental,,,,,,C16,,ZINC000039046719,CHEMBL1231557,50350124,,,25113145,CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC=C(C=C1)C#N,"InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3",MVYDBJXCIFMINH-UHFFFAOYSA-N
DB07512,,7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE,experimental,,,,,,C17,,ZINC000014970152,CHEMBL239508,19189,,,16750123,ClC1=CC=CC(COC2=CC=C3C(OC(=O)C=C3C=O)=C2)=C1,"InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2",ZOCADHRNWNJARU-UHFFFAOYSA-N
DB07513,,7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE,experimental,,,,,,C18,,ZINC000014970149,CHEMBL239507,19188,,,11616886,CNCC1=CC(=O)OC2=C1C=CC(OCC1=CC=CC(Cl)=C1)=C2,"InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3",JMGUSOLCNQVZCT-UHFFFAOYSA-N
DB07514,,"3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one",experimental,,,,,,C19,,ZINC000016052723,CHEMBL493986,50260887,,,24812717,CC1=C(C(=O)N(C=C1)C1=CC=C2C(NCC2(C)C)=C1)C1=CC2=CN=C(N)N=C2C=C1,"InChI=1S/C24H23N5O/c1-14-8-9-29(17-5-6-18-20(11-17)27-13-24(18,2)3)22(30)21(14)15-4-7-19-16(10-15)12-26-23(25)28-19/h4-12,27H,13H2,1-3H3,(H2,25,26,28)",LHLGUOHREUTYTO-UHFFFAOYSA-N
DB07515,,"1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol",experimental,,,,,,C1D,,,,,,,135908255,CC1N[C@@H](N)CCC1CNCCN1C(O)C(NCC(F)(F)C2=CC=CC=N2)=NC=C1Cl,"InChI=1S/C20H30ClF2N7O/c1-13-14(5-6-17(24)29-13)10-25-8-9-30-16(21)11-27-18(19(30)31)28-12-20(22,23)15-4-2-3-7-26-15/h2-4,7,11,13-14,17,19,25,29,31H,5-6,8-10,12,24H2,1H3,(H,27,28)/t13?,14?,17-,19?/m1/s1",MQHPMJMCBRFLML-GGZDVPIDSA-N
DB07516,,"(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid",experimental,,,,,,C1E,,ZINC000100035584,,,,,17749729,OC(=O)C(\O)=C(\Cl)/C=C/C(=O)C1=CC=CC=C1,"InChI=1S/C12H9ClO4/c13-9(11(15)12(16)17)6-7-10(14)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)/b7-6+,11-9-",IBJDCVXDXGFGIO-FKTQTOOFSA-N
DB07517,,3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC,experimental,,,,,,C1F,,ZINC000005844289,CHEMBL1231562,,,41254,123979,CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1,"InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)",WMCQWXZMVIETAO-UHFFFAOYSA-N
DB07518,,(2R)-2-ETHYL-1-HEXANESULFONIC ACID,experimental,,,,,,C26,,ZINC000002015520,,,,,5496779,[H][C@@](CC)(CCCC)COS(O)(=O)=O,"InChI=1S/C8H18O4S/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)/t8-/m1/s1",MHGOKSLTIUHUBF-MRVPVSSYSA-N
DB07519,,"(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one",experimental,,,,,,C27,,ZINC000011536247,CHEMBL239857,50226448,,,16040323,COC1=CC(=CC=C1)C1=CC(CC[C@]2(C)CC(=O)N(C)C(N)=N2)=CC=C1,"InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1",VDFBMQAUECXNKR-OAQYLSRUSA-N
DB07520,,"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE",experimental,,,,,,C28,,ZINC000016052054,,,,,11840930,[H][C@@](CS(=O)(=O)N1CCOCC1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1,"InChI=1S/C19H26F4N4O4S/c20-14-3-1-13(2-4-14)16(19(21,22)23)25-15(17(28)26-18(12-24)5-6-18)11-32(29,30)27-7-9-31-10-8-27/h1-4,15-16,25H,5-12,24H2,(H,26,28)/t15-,16-/m0/s1",BJIKKEHGGYGGIX-HOTGVXAUSA-N
DB07521,,"(3Z,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-2-piperidinyl]ethyl}imino)-2-piperazinol",experimental,,,,,,C2D,,,,,,,131704305,[H][C@]1(CC\N=C2/NC[C@]([H])(Cl)N(CCNCC3=CSC4=CC=C(Cl)C=C34)C2O)CCCCN1,"InChI=1S/C22H31Cl2N5OS/c23-16-4-5-19-18(11-16)15(14-31-19)12-25-9-10-29-20(24)13-28-21(22(29)30)27-8-6-17-3-1-2-7-26-17/h4-5,11,14,17,20,22,25-26,30H,1-3,6-10,12-13H2,(H,27,28)/t17-,20-,22?/m1/s1",YHTGPUXGIBWHPN-IKQMYLSPSA-N
DB07522,,"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE",experimental,,,,,,C3M,,ZINC000013681950,CHEMBL204086,12585,,,9543486,[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1,"InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1",QSSWSEQPKCCATQ-VQTJNVASSA-N
DB07524,,"N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine",experimental,,,,,,C4E,,ZINC000024971313,CHEMBL1231605,50172099,,,24180721,N(C1=CNC2=NC=CC=C12)C1=CC=CC=C1,"InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9,16H,(H,14,15)",CQFGXDQUQWRXLE-UHFFFAOYSA-N
DB07525,,"3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine",experimental,,,,,,C4F,,ZINC000024971421,CHEMBL1231606,50065455,,,24180722,COC1=CC=CC(CC2=CNC3=C2C=CC=N3)=C1,"InChI=1S/C15H14N2O/c1-18-13-5-2-4-11(9-13)8-12-10-17-15-14(12)6-3-7-16-15/h2-7,9-10H,8H2,1H3,(H,16,17)",GHQCCHWTDLTMJT-UHFFFAOYSA-N
DB07526,,N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE,experimental,,,,,,C4H,,ZINC000053683079,,,,,11963499,CN(C)C1=C2C=CC=C(C2=CC=C1)S(=O)(=O)NCCCCNC(=O)CCS,"InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23)",XPCVYJATJSZGJU-UHFFFAOYSA-N
DB07527,,"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE",experimental,,,,,,C4M,,ZINC000013681953,CHEMBL379692,12586,,,9543487,[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=C(C)C=C(OC)C(C)=C1C,"InChI=1S/C20H28N2O4S/c1-13-10-19(26-4)14(2)15(3)20(13)27(24,25)22-12-18(23)17(21)11-16-8-6-5-7-9-16/h5-10,17-18,22-23H,11-12,21H2,1-4H3/t17-,18+/m0/s1",HORGTFOBJRCVMO-ZWKOTPCHSA-N
DB07528,,3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one,experimental,,,,,,C52,,ZINC000016052721,CHEMBL504805,50260917,,,24812719,CC1=C(C2=CC3=C(C=C2)N=C(N)N=C3)C(=O)N(C=C1)C1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)",HXUZQEYFKAZBPX-UHFFFAOYSA-N
DB07529,,"(5E)-2-Amino-5-(2-pyridinylmethylene)-1,3-thiazol-4(5H)-one",experimental,,,,,,C53,,,,,,,137349052,N=C1NC(=O)\C(S1)=C/C1=CC=CC=N1,"InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+",LHGOQMPIWSCKBA-FNORWQNLSA-N
DB07530,,"(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol",experimental,,,,,,C5D,,ZINC000038911928,,,,,10457944,[H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1,"InChI=1S/C24H32F6O3/c1-20(2)17(8-6-7-16-13-18(31)15-19(32)14-16)9-12-21(20,3)10-4-5-11-22(33,23(25,26)27)24(28,29)30/h6-8,17-19,31-33H,4,9-10,12-15H2,1-3H3/b8-6+/t17-,18-,19-,21+/m1/s1",PCHUQQNKOFNVDU-OSXMSNBXSA-N
DB07531,,"4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE",experimental,,,,,,C62,,,CHEMBL232148,17152,,,5828196,NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=O)NC1=O,"InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-",JNPRTUHVCHGFHJ-GHXNOFRVSA-N
DB07532,,N-hexanoyl-L-homoserine,experimental,,,,,,C6L,,,,,,,24860535,[H][C@@](CCO)(NC(=O)CCCCC)C(O)=O,"InChI=1S/C10H19NO4/c1-2-3-4-5-9(13)11-8(6-7-12)10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1",BJLILZXVIKTHKQ-QMMMGPOBSA-N
DB07533,,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE",experimental,,,,,,C75,,ZINC000014963227,CHEMBL233553,17144,,,137349058,CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,"InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-",FJJJERLTHDXEPT-JYRVWZFOSA-N
DB07534,,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE",experimental,,,,,,C85,,ZINC000004976875,CHEMBL233149,17141,,,137349062,NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,"InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7-",BKUMVXIXUVYKDQ-GHXNOFRVSA-N
DB07535,,2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one,experimental,,,,,,C8C,,ZINC000028826876,CHEMBL236777,50226445,,,135424789,NC1=NC(CCC2=CC3=C(C=CN3)C=C2)=CC(=O)N1,"InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19)",VRAZIAJSKFRSIP-UHFFFAOYSA-N
DB07536,,"N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide",experimental,,,,,,C90,,ZINC000029049396,CHEMBL260091,50200120,,134107,11546620,[H][C@](C)(O)[C@]([H])(NC(=O)C1=CC=C(C=C1)C#CC1=CC=C(CN2CCOCC2)C=C1)C(=O)NO,"InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1",FQYBTYFKOHPWQT-VGSWGCGISA-N
DB07537,,"N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide",experimental,,,,,,C92,,,CHEMBL487431,50243182,,,24812718,CC1=CC=C(C=C1C(=O)NC1=CN=C(N)C=C1)C(=O)NCCC1CCCC1,"InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)",CLEGTVIMOPPIBR-UHFFFAOYSA-N
DB07538,,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE",experimental,,,,,,C94,,ZINC000014963245,CHEMBL233970,17149,,,23647657,NS(=O)(=O)C1=CC=C(C=C1C(F)(F)F)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,"InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6-",RGVVHQNJKUNSFQ-WDZFZDKYSA-N
DB07539,,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID",experimental,,,,,,C95,,ZINC000003029819,CHEMBL233349,17143,,,137349069,OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,"InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)/b12-7-",JLRKRQCTYQGDKJ-GHXNOFRVSA-N
DB07540,,"4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE",experimental,,,,,,C96,,ZINC000014963253,CHEMBL231950,17151,,,137349070,C\C(C1=CC=C(O1)C1=CC=C(C=C1)S(N)(=O)=O)=C1\SC(=N)NC1=O,"InChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8-",AKFVRSQELXTCFW-JYRVWZFOSA-N
DB07541,,4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid,experimental,,,,,,C9P,,ZINC000169748499,CHEMBL1084081,,,,46890069,OB(O)C1=CC(NS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C2=CC=CC=C2)=C(C=C1)C(O)=O,"InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21)",JJPKFZAOXOEFHQ-UHFFFAOYSA-N
DB07542,,5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid,experimental,,,,,,CAL,,ZINC000033626079,,,,,6323244,[H]N([H])[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](CC(C)C)C(O)=O,"InChI=1S/C16H31NO3/c1-11(2)8-13(16(19)20)10-15(18)14(17)9-12-6-4-3-5-7-12/h11-15,18H,3-10,17H2,1-2H3,(H,19,20)/t13-,14+,15+/m1/s1",INCRGCAIRMMQQJ-ILXRZTDVSA-N
DB07543,78859-33-3,(S)-carazolol,experimental,,,,,,CAU,,ZINC000001567835,,,,,13023332,CC(C)NC[C@H](O)COC1=CC=CC2=C1C1=CC=CC=C1N2,"InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1",BQXQGZPYHWWCEB-ZDUSSCGKSA-N
DB07544,,N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE,experimental,,,,,,CBC,,ZINC000016051764,CHEMBL1231666,50353005,,,6914573,FC(F)(F)C1=CC=CC=C1S(=O)(=O)NNC(=O)C1=CC2=CC(Cl)=CC=C2O1,"InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23)",ZLQBZYKAQQWOTK-UHFFFAOYSA-N
DB07545,,N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE,experimental,,,,,,CC3,,ZINC000013831338,CHEMBL383899,50200392,,,9549303,FC(F)(F)C1=CC=CC(NC2=NC(NC3=CC(NC(=O)C4CC4)=CC=C3)=NC=C2)=C1,"InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)",RDTDWGQDFJPTPD-UHFFFAOYSA-N
DB07546,,[1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid,experimental,,,,,,CCK,,ZINC000039187974,CHEMBL1231683,50460961,,,16224058,CC(C)NC1=CC2=C(C=NN2C2=NC(=CN=C2)N2C=CC(CC(O)=O)=C2)C=C1,"InChI=1S/C20H20N6O2/c1-13(2)23-16-4-3-15-9-22-26(17(15)8-16)19-11-21-10-18(24-19)25-6-5-14(12-25)7-20(27)28/h3-6,8-13,23H,7H2,1-2H3,(H,27,28)",BBYRUZKRFAIQSR-UHFFFAOYSA-N
DB07547,,5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,CCT,,ZINC000016051916,,,,,9543494,CC1=CC=CC=C1S(=O)(=O)NC1=C(SC(=C1)C1=CC=C(C=C1)C#N)C(O)=O,"InChI=1S/C19H14N2O4S2/c1-12-4-2-3-5-17(12)27(24,25)21-15-10-16(26-18(15)19(22)23)14-8-6-13(11-20)7-9-14/h2-10,21H,1H3,(H,22,23)",RYXAHMSZLLIPRO-UHFFFAOYSA-N
DB07548,312904-60-2,"2-(6-Chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide",experimental,,,,,,CDA,,ZINC000000602992,CHEMBL141889,50123491,,,447219,[H]N(CC1=C(F)C=CC=N1)C(=O)CN1C(C)=CN=C(N([H])CC(F)(F)C2=CC=CC=N2)C1=O,"InChI=1S/C20H19F3N6O2/c1-13-9-27-18(28-12-20(22,23)16-6-2-3-7-25-16)19(31)29(13)11-17(30)26-10-15-14(21)5-4-8-24-15/h2-9H,10-12H2,1H3,(H,26,30)(H,27,28)",JXHWVKOKYDAROD-UHFFFAOYSA-N
DB07549,,"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE",experimental,,,,,,CDB,,,,,,,6323250,CC1=C[NH+]=C(NCC(F)(F)C2=[NH+]C=CC=C2)C(=O)N1CC(=O)NCC1=C(F)C(C)=CC=N1,"InChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)/p+2",WOYBPRBUPLYTPY-UHFFFAOYSA-P
DB07550,,"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE",experimental,,,,,,CDD,,ZINC000000591438,CHEMBL282837,50126302,,,656913,[O-][N+]1=CC=CC=C1C(F)(F)CNC1=NC=C(Cl)N(CC(=O)NCC2=C(F)C=CC=C2)C1=O,"InChI=1S/C20H17ClF3N5O3/c21-16-10-26-18(27-12-20(23,24)15-7-3-4-8-29(15)32)19(31)28(16)11-17(30)25-9-13-5-1-2-6-14(13)22/h1-8,10H,9,11-12H2,(H,25,30)(H,26,27)",ZIGSBBKEPNQXRG-UHFFFAOYSA-N
DB07551,,"(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile",experimental,,,,,,CEB,,ZINC000002047035,,,,48786,449582,CCNC1=NC(Cl)=NC(NC(C)(CC)C#N)=N1,"InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1",IUCVBFHDSFSEIK-JTQLQIEISA-N
DB07552,,"(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile",experimental,,,,,,CET,,ZINC000002047027,,,,48790,449597,CCNC1=NC(Cl)=NC(NC(C)(CC)C#N)=N1,"InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m1/s1",IUCVBFHDSFSEIK-SNVBAGLBSA-N
DB07553,,"9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE",experimental,,,,,,CF3,,ZINC000001553046,CHEMBL113537,50121062,,,9882812,FC(F)(F)C(=O)CCCCCCC(=O)NC1=CC=CC=C1,"InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)",KRCXZGYVOZSCSF-UHFFFAOYSA-N
DB07555,,"Hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium",experimental,,,,,,CFQ,,,,,,,,[H][C@](OCC[As+](C)(C)C)(C1=CC=CC=C1[N+](O)=O)C(F)(F)F,"InChI=1S/C13H19AsF3NO3/c1-14(2,3)8-9-21-12(13(15,16)17)10-6-4-5-7-11(10)18(19)20/h4-7,12H,8-9H2,1-3H3,(H,19,20)/q+2/t12-/m0/s1",LUSVMAVUPPIHKA-LBPRGKRZSA-N
DB07556,161314-70-1,CGS-27023,experimental,,,,,,CGS,,,CHEMBL267178,50066658,,,446504,COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)[C@H](C(C)C)C(=O)NO,"InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1",BSIZUMJRKYHEBR-QGZVFWFLSA-N
DB07557,128-23-4,"3,20-Pregnanedione",experimental,,,,,,CI2,,ZINC000003833953,CHEMBL486954,,,30154,92745,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1",XMRPGKVKISIQBV-XWOJZHJZSA-N
DB07558,110044-82-1,acetylleucyl-leucyl-norleucinal,experimental,,,,,,CIB,,ZINC000003826241,CHEMBL304784,50069792,,2423,443118,[H]C(=O)[C@H](CCCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O,"InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1",FMYKJLXRRQTBOR-BZSNNMDCSA-N
DB07559,,"(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide",experimental,,,,,,CIH,,ZINC000100035641,CHEMBL484780,,,,54727980,C\C(O)=C(/C#N)C(=O)NC1=CC(Cl)=C(C=C1)C1=CC=CC=C1Cl,"InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,22H,1H3,(H,21,23)/b14-10-",DDSLONVJHZPSBB-UVTDQMKNSA-N
DB07560,,N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide,experimental,,,,,,CII,,ZINC000000248322,,,,,25134246,[H][C@](NC(=O)C1CCCCC1)(C(C)C)C(=O)NC1=CC=NC=C1,"InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1",VYLDPSVXLWTIAJ-HNNXBMFYSA-N
DB07561,,(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide,experimental,,,,,,CJH,,ZINC000100035648,CHEMBL483995,,,,54727985,CCOC1=CC(=CC=C1)C1=CC=C(NC(=O)C(\C#N)=C(\C)O)C=C1,"InChI=1S/C19H18N2O3/c1-3-24-17-6-4-5-15(11-17)14-7-9-16(10-8-14)21-19(23)18(12-20)13(2)22/h4-11,22H,3H2,1-2H3,(H,21,23)/b18-13-",RPILZQUCBKIPAZ-AQTBWJFISA-N
DB07562,,"N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE",experimental,,,,,,CK8,,ZINC000001912557,CHEMBL46817,8066,,,447962,CN(C)C1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C(C)S2)C=C1,"InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)",FGGSNQOBRJVAKL-UHFFFAOYSA-N
DB07563,,"1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine",experimental,,,,,,CKE,,ZINC000016052509,,,,,46937081,CN1CCN(CC1)C1=CC=C(CC2=CC3=CN=C(CN)N=C3N2C2CCCCC2)C=C1,"InChI=1S/C25H34N6/c1-29-11-13-30(14-12-29)21-9-7-19(8-10-21)15-23-16-20-18-27-24(17-26)28-25(20)31(23)22-5-3-2-4-6-22/h7-10,16,18,22H,2-6,11-15,17,26H2,1H3",GCJSOJRPNOWSEH-UHFFFAOYSA-N
DB07564,,"6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",experimental,,,,,,CKR,,ZINC000039054426,CHEMBL1231806,,,,135566918,NC1=NC2=C(C=C3N=C(NCCN4CCOCC4)NC3=C2)C(=O)N1,"InChI=1S/C15H19N7O2/c16-14-18-10-8-12-11(7-9(10)13(23)21-14)19-15(20-12)17-1-2-22-3-5-24-6-4-22/h7-8H,1-6H2,(H2,17,19,20)(H3,16,18,21,23)",JUHXOBNFTFUPKQ-UHFFFAOYSA-N
DB07565,3544-94-3,Chloramphenicol succinate,approved,"['23650345', '31613458', '6375931', '7875065', '22155764', '1242145', '23118672']",,,20769,,CL8,,ZINC000001532336,CHEMBL1201281,,CHLORAMPHENICOL SODIUM SUCCINATE,3606,656580,O[C@@H]([C@@H](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)C1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1",LIRCDOVJWUGTMW-ZWNOBZJWSA-N
DB07567,,"(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL",experimental,,,,,,CM4,,ZINC000016051697,CHEMBL181936,50162803,,41593,4369568,[H][C@@]1(C)C2=CC(O)=CC=C2O[C@@]([H])(C2=CC=C(OCCN3CCCC3)C=C2)[C@@]1([H])C1=CC=C(O)C=C1,"InChI=1S/C28H31NO4/c1-19-25-18-23(31)10-13-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28+/m1/s1",XPVKGTWRXBSJKO-LHXLBICKSA-N
DB07568,,"(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE",experimental,,,,,,CM6,,ZINC000016051895,,,,,16214776,[H][C@@](NS(=O)(=O)C1=CC=CC2=NSN=C12)(C(=O)NC1=CC=NC=C1)C1=CC=CC=C1,"InChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)/t17-/m0/s1",ADRNPUSZBRQDBG-KRWDZBQOSA-N
DB07569,,CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE,experimental,,,,,,CM9,,,,,,,,[H][C@@](CCSC)(NC(=O)[C@]1([H])CC[C@]([H])(C)CC1)C(=O)NC1=CC=NC=C1,"InChI=1S/C18H27N3O2S/c1-13-3-5-14(6-4-13)17(22)21-16(9-12-24-2)18(23)20-15-7-10-19-11-8-15/h7-8,10-11,13-14,16H,3-6,9,12H2,1-2H3,(H,21,22)(H,19,20,23)/t13-,14+,16-/m0/s1",OCZKGSPGDOPDAI-LZWOXQAQSA-N
DB07570,,3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID,experimental,,,,,,CMF,,ZINC000013609946,CHEMBL179532,50162108,,,4369534,OC(=O)C1=CC=C2C(=C1)N(CC(=O)N1CCOCC1)C(=C2C1CCCCC1)C1=CC=CC=C1,"InChI=1S/C27H30N2O4/c30-24(28-13-15-33-16-14-28)18-29-23-17-21(27(31)32)11-12-22(23)25(19-7-3-1-4-8-19)26(29)20-9-5-2-6-10-20/h2,5-6,9-12,17,19H,1,3-4,7-8,13-16,18H2,(H,31,32)",ZKEZEXYKYHYIMQ-UHFFFAOYSA-N
DB07571,,"N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE",experimental,,,,,,CMQ,,ZINC000024799667,,,,,6857710,[H][C@@](C)(O)[C@]([H])(CC1=CC=C(O)C=C1)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1,"InChI=1S/C24H32N2O5/c1-16(2)13-22(26-24(30)31-15-19-7-5-4-6-8-19)23(29)25-21(17(3)27)14-18-9-11-20(28)12-10-18/h4-12,16-17,21-22,27-28H,13-15H2,1-3H3,(H,25,29)(H,26,30)/t17-,21-,22-/m0/s1",ZUWYQZGBCBSHFK-HSQYWUDLSA-N
DB07572,,3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate,experimental,,,,,,CMW,,ZINC000003127350,CHEMBL1231847,39234,,,3236724,CC1=CC=C(C=C1)S(=O)(=O)NCCCOC(=O)NC1=CC=NC=C1,"InChI=1S/C16H19N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-9-2-12-23-16(20)19-14-7-10-17-11-8-14/h3-8,10-11,18H,2,9,12H2,1H3,(H,17,19,20)",ITYCDQJBLCTIID-UHFFFAOYSA-N
DB07573,,"(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol",experimental,,,,,,CMZ,,ZINC000019790773,,15789,,41617,831616,[H][C@@](O)(COC1=C(C)C=CC(C)=C1)CN1CCOCC1,"InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1",HVMGGHDPXHODHE-AWEZNQCLSA-N
DB07574,,"2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE",experimental,,,,,,CN2,,ZINC000029124025,,,,,5287955,[H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS,"InChI=1S/C22H25NO6S/c1-26-17-8-6-13-14(10-16(17)24)15(23-19(25)11-30)7-5-12-9-18(27-2)21(28-3)22(29-4)20(12)13/h6,8-10,15,30H,5,7,11H2,1-4H3,(H,23,25)/t15-/m0/s1",TYDIWMTWTXFWSY-HNNXBMFYSA-N
DB07575,,"2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE",experimental,,,,,,COR,,,CHEMBL9417,50041044,,,452307,[H][C@](N)(CC1=CC=CC=C1)C(O)[C@@]([H])(N)CC1=CC=CC=C1,"InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2/t15-,16-/m0/s1",GZBLEJZADHZBBZ-HOTGVXAUSA-N
DB07577,27653-49-2,"2,4-Diamino-5-phenyl-6-ethylpyrimidine",experimental,,,,,,CP7,,ZINC000013282257,CHEMBL22148,18788,,,93114,CCC1=C(C(N)=NC(N)=N1)C1=CC=CC=C1,"InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)",XREDUPOVEQDQQS-UHFFFAOYSA-N
DB07578,343250-05-5,CP-94707,experimental,,,,,,CP9,,ZINC000000591635,,,,,448793,CC1=NC2=C(C=CN=C2)N1C1=CC=C(CN2C(=O)SC3=CC=CC=C23)C=C1,"InChI=1S/C21H16N4OS/c1-14-23-17-12-22-11-10-18(17)25(14)16-8-6-15(7-9-16)13-24-19-4-2-3-5-20(19)27-21(24)26/h2-12H,13H2,1H3",WUOLYUKMMRCXGH-UHFFFAOYSA-N
DB07579,,"Bis-1,2-{[(Z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane",experimental,,,,,,CPJ,,ZINC000016051760,,,,,4369593,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC1COC(C)(OC1)C(O)=O)C(O)=O,"InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)",HAVIIPIIAVTNFO-UHFFFAOYSA-N
DB07580,,"BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE",experimental,,,,,,CPK,,ZINC000100035677,,,,,,[H][C@@]1(CO[C@](C)(OC1)C(O)=O)OC(=O)N1CCN(CC1)C(=O)O[C@@]1([H])CO[C@](C)(OC1)C(O)=O,"InChI=1S/C18H26N2O12/c1-17(13(21)22)27-7-11(8-28-17)31-15(25)19-3-5-20(6-4-19)16(26)32-12-9-29-18(2,14(23)24)30-10-12/h11-12H,3-10H2,1-2H3,(H,21,22)(H,23,24)/t11-,12-,17+,18+",GNQQJZKGGHOMBD-RDAHUFKRSA-N
DB07581,,5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID,experimental,,,,,,CPV,,ZINC000033821259,,,,,5287976,[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)C[C@@]([H])(C(C)C)C(O)=O,"InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1",SRFUYEFGHOTBHV-IHRRRGAJSA-N
DB07582,,"N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE",experimental,,,,,,CPX,,ZINC000033821260,,,,,5287977,[H][C@](NC(=O)NC1CCCC1)(C(C)C)C(=O)N1CC[C@]([H])(NC(=O)C2CC2)[C@@]1([H])C1(CCC1)C=O,"InChI=1S/C24H38N4O4/c1-15(2)19(27-23(32)25-17-6-3-4-7-17)22(31)28-13-10-18(26-21(30)16-8-9-16)20(28)24(14-29)11-5-12-24/h14-20H,3-13H2,1-2H3,(H,26,30)(H2,25,27,32)/t18-,19-,20-/m0/s1",GCDRFILPPBOJLM-UFYCRDLUSA-N
DB07583,,"(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE",experimental,,,,,,CQP,,ZINC000006745133,,15216,,,5327110,[H][C@@]1(CNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C[C@]([H])(CN1)OCC1=CC=C(Cl)C=C1,"InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1",RLNNFNGBXLTQOB-RBUKOAKNSA-N
DB07584,,"N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine",experimental,,,,,,CQU,,ZINC000016052801,CHEMBL428963,24841,,,24798741,CC1=NN=C(N1)C1=CC=CC=C1NC1=NC=NC2=C1C=CN2,"InChI=1S/C15H13N7/c1-9-19-15(22-21-9)10-4-2-3-5-12(10)20-14-11-6-7-16-13(11)17-8-18-14/h2-8H,1H3,(H,19,21,22)(H2,16,17,18,20)",OKGCSZUKOGMZAL-UHFFFAOYSA-N
DB07585,,"5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",experimental,,,,,,CQW,,ZINC000016052800,CHEMBL259833,24845,,90625,24798742,ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=CN2,"InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)",YFFJXGRXFASBDL-UHFFFAOYSA-N
DB07586,,"5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE",experimental,,,,,,CRI,,ZINC000016051592,,,,,5287979,CN(C)C(=O)C1=CC(=CC(NC(=O)C2=CC=C(C)C=C2)=C1)C1=CC=C(C=C1)C(=O)NO,"InChI=1S/C24H23N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,31H,1-3H3,(H,25,28)(H,26,29)",DOPFUKKMSDUVTQ-UHFFFAOYSA-N
DB07587,,"N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE",experimental,,,,,,CRJ,,ZINC000036470913,,,,,11840933,[H][C@@](CS(=O)(=O)C[C@]1([H])CCC(=O)N1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CC1)C#N,"InChI=1S/C20H22F4N4O4S/c21-13-3-1-12(2-4-13)17(20(22,23)24)27-15(18(30)28-19(11-25)7-8-19)10-33(31,32)9-14-5-6-16(29)26-14/h1-4,14-15,17,27H,5-10H2,(H,26,29)(H,28,30)/t14-,15-,17-/m0/s1",JLPXDVXMMYRTKN-ZOBUZTSGSA-N
DB07588,,"3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID",experimental,,,,,,CRR,,,CHEMBL491841,50378456,,41625,11326613,OC(=O)C1=C(C2=CNC3=CC=CC=C23)C(=C(N1)C(O)=O)C1=CNC2=C1C=CC=C2,"InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)",FZDVNXHYGMEEDT-UHFFFAOYSA-N
DB07589,,"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE",experimental,,,,,,CRV,,ZINC000016052050,,,,,11840934,[H][C@@](CS(=O)(=O)CC1=CC=CC=C1)(N[C@@]([H])(C1=CC=C(O)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1,"InChI=1S/C22H26F3N3O4S/c23-22(24,25)19(16-6-8-17(29)9-7-16)27-18(20(30)28-21(14-26)10-11-21)13-33(31,32)12-15-4-2-1-3-5-15/h1-9,18-19,27,29H,10-14,26H2,(H,28,30)/t18-,19-/m0/s1",DWWVPKCSDHDILN-OALUTQOASA-N
DB07590,,"S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE",experimental,,,,,,CS4,,ZINC000053683099,,,,,46937082,[H][C@](N)(CSCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C(O)=O,"InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1",WBRMJWLALJKZJY-JTQLQIEISA-N
DB07591,,N1-CYCLOPENTYL-N2-(THIAZOL-2-YL)OXALAMIDE,experimental,,,,,,CT0,,ZINC000002912211,CHEMBL1092824,,,,2255489,O=C(NC1CCCC1)C(=O)NC1=NC=CS1,"InChI=1S/C10H13N3O2S/c14-8(12-7-3-1-2-4-7)9(15)13-10-11-5-6-16-10/h5-7H,1-4H2,(H,12,14)(H,11,13,15)",BJHPYHUDDCVBNG-UHFFFAOYSA-N
DB07592,,(2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate,experimental,,,,,,CT1,,ZINC000027083677,CHEMBL113948,50148298,,,10062713,[H][C@@](CCCC)(NC(=O)O[C@]([H])(CC1=CC=CC=C1)C(C)C)C=O,"InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1",ZLZXUNHJWVLGTE-DLBZAZTESA-N
DB07593,,1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE,experimental,,,,,,CT2,,ZINC000027091140,CHEMBL117658,50148292,,,10062714,[H][C@@](CCCC)(NC(=O)OC1(CC2=CC=CC=C2)CCCC1)C=O,"InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1",ONABDOMWRCXLPX-KRWDZBQOSA-N
DB07594,171009-07-7,CCT-018159,experimental,,,,,,CT5,,ZINC000008536348,CHEMBL399530,15362,,41656,984170,CCC1=C(O)C=C(O)C(=C1)C1=C(C(C)=NN1)C1=CC2=C(OCCO2)C=C1,"InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)",OWPMENVYXDJDOW-UHFFFAOYSA-N
DB07595,,"(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE",experimental,,,,,,CT6,,ZINC000016052798,,,,,5327130,BrC1=CC=CC(=C1)C1=NC2=[N+](NC=C2)C(NCC2=CC=NC=C2)=C1,"InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1",WSIQKQLAGWVKSL-UHFFFAOYSA-O
DB07596,,"(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate",experimental,,,,,,CTF,,ZINC000029135869,CHEMBL408967,50372895,,,11188898,[H][C@]1(CC#N)CC[C@@]2([H])[C@]3([H])CCC4=CC(OS(N)(=O)=O)=C(OC)C=C4[C@@]3([H])CC[C@]12C,"InChI=1S/C21H28N2O4S/c1-21-9-7-15-16(18(21)6-4-14(21)8-10-22)5-3-13-11-20(27-28(23,24)25)19(26-2)12-17(13)15/h11-12,14-16,18H,3-9H2,1-2H3,(H2,23,24,25)/t14-,15+,16-,18+,21-/m1/s1",NTSPHKOMJMBWOU-NNKXXINSSA-N
DB07597,,"CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL",experimental,,,,,,CTL,,ZINC000008699421,CHEMBL46085,,,,6420129,[H][C@]1(N)CCC2=CC=CC=C2[C@@]1([H])O,"InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10+/m0/s1",IIMSEFZOOYSTDO-VHSXEESVSA-N
DB07598,,"2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE",experimental,,,,,,CX6,,ZINC000003959449,,,,,5288002,[H][C@@]12CCCN1C(=O)C1=C(O2)C=C2OCCOC2=C1,"InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2/t12-/m1/s1",RQEPVMAYUINZRE-GFCCVEGCSA-N
DB07599,,[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID,experimental,,,,,,CXB,,ZINC000169748500,CHEMBL227452,50202234,,,9600412,CO\N=C(/C(=O)NCB(O)O)C1=CSC(N)=N1,"InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5-",FMYGJTQJYFMFCR-XGICHPGQSA-N
DB07601,,"4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol",experimental,,,,,,CXZ,,ZINC000014974449,CHEMBL404630,20739,,90529,135566415,OC1=CC(O)=C(Cl)C=C1C1=NOC2=C1C=C(NCCN1CCOCC1)C=C2,"InChI=1S/C19H20ClN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2",JLIRVZVVCCIAKG-UHFFFAOYSA-N
DB07602,,S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE,experimental,,,,,,CY0,,ZINC000053683101,,,,,46937083,[H][C@](N)(CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC1=CC=CC=C1)C(O)=O,"InChI=1S/C20H21N5O3S/c21-16(20(27)28)11-29-9-8-18(26)24-14-6-7-17-15(10-14)19(23-12-22-17)25-13-4-2-1-3-5-13/h1-7,10,12,16H,8-9,11,21H2,(H,24,26)(H,27,28)(H,22,23,25)/t16-/m0/s1",NLVZTRZPMRTVRC-INIZCTEOSA-N
DB07603,,N-hexanoyl-L-homocysteine,experimental,,,,,,CYK,,ZINC000053683103,,,,,24860536,[H][C@@](CCS)(NC(=O)CCCCC)C(O)=O,"InChI=1S/C10H19NO3S/c1-2-3-4-5-9(12)11-8(6-7-15)10(13)14/h8,15H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1",HAUWXQBEWNVHPD-QMMMGPOBSA-N
DB07604,,"(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE",experimental,,,,,,CZA,,,CHEMBL260580,,,,,[H][C@@]12CC3=C4C(NC=C4[C@]1([H])[C@]1([H])N(C(O)=C(C(C)=O)C1=O)C2(C)C)=CC=C3,"InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,25H,7H2,1-3H3/t12-,16+,17+/m1/s1",RLOAZVAJNNPPDI-DQYPLSBCSA-N
DB07605,,"2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE",experimental,,,,,,D01,,ZINC000016051913,,,,,9547923,[O-][N+]1=CC=CC2=C1C=C(S2)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1,"InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2",DHDQMXPAANQKDC-UHFFFAOYSA-N
DB07606,,"6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE",experimental,,,,,,D05,,ZINC000013585203,CHEMBL425181,6021,,,135402970,CCC1=NN(C2=C1C(=O)NC(CC1=CC(O)=C(O)C=C1)=N2)C1=C(Cl)C=C(Cl)C=C1Cl,"InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30)",OPRAIFVPXXVXDL-UHFFFAOYSA-N
DB07607,,4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE,experimental,,,,,,D13,,ZINC000002386760,,,,,9543437,C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC(I)=CC=C1)C1=CC=NC=C1,"InChI=1S/C21H16IN3OS/c1-27(26)18-7-5-15(6-8-18)21-24-19(14-9-11-23-12-10-14)20(25-21)16-3-2-4-17(22)13-16/h2-13H,1H3,(H,24,25)/t27-/m1/s1",RXDZANYWRNIAOR-HHHXNRCGSA-N
DB07608,,N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide,experimental,,,,,,D15,,ZINC000053683107,,,,,24894158,[H][C@@](CCN)(C(=O)NC1=CC=C2NN=C(NC(=O)C3=CC=CC=C3)C2=C1)C1=CC(Cl)=CC=C1,"InChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)/t19-/m0/s1",JDGOPNUGILVNJZ-IBGZPJMESA-N
DB07609,,"N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE",experimental,,,,,,D1G,,ZINC000013607151,CHEMBL360998,12347,,,11171679,CN(C)CC1=CC=C(O1)C1=CC=CN=C1,"InChI=1S/C12H14N2O/c1-14(2)9-11-5-6-12(15-11)10-4-3-7-13-8-10/h3-8H,9H2,1-2H3",PJHSLLRNPASXIS-UHFFFAOYSA-N
DB07610,574-00-5,"1,2-Dihydroxynaphthalene",experimental,,,,,,D1N,,ZINC000000407059,CHEMBL204543,50049067,,17435,11318,OC1=C(O)C2=CC=CC=C2C=C1,"InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H",NXPPAOGUKPJVDI-UHFFFAOYSA-N
DB07611,,DECANE-1-THIOL,experimental,,,,,,D1T,,ZINC000016052462,,,,,8917,CCCCCCCCCCS,"InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3",VTXVGVNLYGSIAR-UHFFFAOYSA-N
DB07612,,6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE,experimental,,,,,,D23,,ZINC000014945742,CHEMBL278894,7001,,,5288016,CC(C)(C)NC1=NC(=NC2=C1C=C(C=C2)C1=CC=CC(N)=C1)C(F)(F)F,"InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26)",XQKJVNGGVLHNLA-UHFFFAOYSA-N
DB07613,,3-phenyl-5-(1H-pyrazol-3-yl)isoxazole,experimental,,,,,,D25,,ZINC000016052596,CHEMBL265720,21626,,,24764436,N1C=CC(=N1)C1=CC(=NO1)C1=CC=CC=C1,"InChI=1S/C12H9N3O/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14)",SRSSTOPJERVMRZ-UHFFFAOYSA-N
DB07614,,"PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE",experimental,,,,,,D26,,ZINC000003883784,CHEMBL261777,21625,,,2763788,N1C=CC(=N1)C1=CN=C(S1)C1=CC=CC=C1,"InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)",NRAHRUHGPGBWSI-UHFFFAOYSA-N
DB07615,53902-12-8,Tranilast,investigational,,,D02027,57330,,D27,2714,ZINC000000000797,CHEMBL415324,21613,TRANILAST,77572,5282230,COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC,"InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+",NZHGWWWHIYHZNX-CSKARUKUSA-N
DB07616,,"4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid",experimental,,,,,,D28,,ZINC000000070745,CHEMBL258467,21624,,,695906,CC1=CC(=CC=C1F)C1=CSC(NC2=CC=C(C(O)=O)C(O)=C2)=N1,"InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)",LKZZDHKJFDTYCH-UHFFFAOYSA-N
DB07617,,N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE,experimental,,,,,,D2G,,,CHEMBL178938,12346,,,11229234,CNCC1=CC=C(O1)C1=CC=CN=C1,"InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3",MDGMPFRIYUFRRX-UHFFFAOYSA-N
DB07618,,"2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE",experimental,,,,,,D31,,ZINC000016051801,CHEMBL356700,5634,,,5288017,NCC1CCN(CC(=O)NC2=CC=CC3=C2C(=O)C2=C(NN=C32)C2CCCCC2)CC1,"InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)",AITZHKQVQNLKHI-UHFFFAOYSA-N
DB07619,,"N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",experimental,,,,,,D3E,,ZINC000100078683,CHEMBL452587,28361,,,,[H][C@@]1(CC[C@@]([H])(CC1)C1=CC=CN=C1)N(C1CC1)C(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F,"InChI=1S/C24H27F3N2O2/c1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18/h2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3/t16-,20-,23-/m0/s1",FLRYWTWLHWACRP-GRWTVWFQSA-N
DB07620,,"2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE",experimental,,,,,,D3F,,ZINC000008626709,CHEMBL212218,11292,,,2799606,CC1=CC(=C(Cl)C=C1Cl)S(=O)(=O)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,"InChI=1S/C14H7Cl2F3N2O6S/c1-6-2-12(9(16)5-8(6)15)28(26,27)13-10(20(22)23)3-7(14(17,18)19)4-11(13)21(24)25/h2-5H,1H3",INAZPZCJNPPHGV-UHFFFAOYSA-N
DB07621,,(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE,experimental,,,,,,D3G,,ZINC000013607134,CHEMBL178090,12345,,41804,11332763,NCC1=CC=C(O1)C1=CC=CN=C1,"InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2",LENAVORGWBTPJR-UHFFFAOYSA-N
DB07622,,"1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA",experimental,,,,,,D42,,ZINC000000595002,CHEMBL325023,6051,,,5288018,CN1CCN(CC1)NC(=O)NC1=CC=CC2=C1C(=O)C1=C(NN=C21)C1=C(C)N=C(C)S1,"InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30)",KRKQVGZXTNLQSV-UHFFFAOYSA-N
DB07623,,"4,4'-DIPYRIDYL DISULFIDE",experimental,,,,,,D4G,,ZINC000000520134,CHEMBL1232076,,,41814,75846,S(SC1=CC=NC=C1)C1=CC=NC=C1,InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,UHBAPGWWRFVTFS-UHFFFAOYSA-N
DB07624,,"1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide",experimental,,,,,,D4N,,ZINC000039110046,CHEMBL460962,50248569,,,24856362,[H][C@@]1(C)CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F,"InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1",YJFULAYRAKPBCY-DYVFJYSZSA-N
DB07625,,"4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide",experimental,,,,,,D55,,ZINC000016052611,CHEMBL401365,50231529,,,23653531,CCOC1=CC=C(OCC)C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)=C1,"InChI=1S/C21H28N2O4/c1-5-25-17-7-8-19(26-6-2)18(13-17)23-21(24)16-11-14(3)20(15(4)12-16)27-10-9-22/h7-8,11-13H,5-6,9-10,22H2,1-4H3,(H,23,24)",PHTPPZCTHZHCQD-UHFFFAOYSA-N
DB07626,,"4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide",experimental,,,,,,D56,,ZINC000016052613,CHEMBL253825,50231528,,,23653533,CCOC1=C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)C=C(C=C1Cl)N1CCCCC1,"InChI=1S/C24H32ClN3O3/c1-4-30-23-20(25)14-19(28-9-6-5-7-10-28)15-21(23)27-24(29)18-12-16(2)22(17(3)13-18)31-11-8-26/h12-15H,4-11,26H2,1-3H3,(H,27,29)",CKBBGCJYKCLKHE-UHFFFAOYSA-N
DB07627,,(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE,experimental,,,,,,D5G,,ZINC000038475962,,,,,6857711,[H][C@@](CC(C)C)(NC(=S)NC1=CC=CC=C1)C(=O)N[C@]1([H])CO[C@]([H])(O)C1,"InChI=1S/C17H25N3O3S/c1-11(2)8-14(16(22)18-13-9-15(21)23-10-13)20-17(24)19-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,18,22)(H2,19,20,24)/t13-,14-,15-/m0/s1",DBPWWBMTZYJGGV-KKUMJFAQSA-N
DB07628,,"6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one",experimental,,,,,,D8G,,ZINC000001350599,CHEMBL1084625,,,93430,654376,CN1C2=C(SC(C)=C2)C2=C1C(=O)N(CC1=CC=CC=C1F)N=C2,"InChI=1S/C17H14FN3OS/c1-10-7-14-16(23-10)12-8-19-21(17(22)15(12)20(14)2)9-11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3",IEWYEWDDQWYJLU-UHFFFAOYSA-N
DB07629,,"N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE",experimental,,,,,,D92,,ZINC000016051975,CHEMBL245678,50214995,,,24752832,[H][C@@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,"InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1",ARPFWVKYXJZULB-DLBZAZTESA-N
DB07630,,"N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE",experimental,,,,,,D93,,ZINC000016051976,CHEMBL391805,50214983,,,24752833,[H][C@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,"InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17-/m1/s1",ARPFWVKYXJZULB-IAGOWNOFSA-N
DB07631,683-10-3,Lauryldimethylbetaine,experimental,,,,,,D9G,,,CHEMBL1232088,,,,4292413,CCCCCCCCCCCC[N+](C)(C)CC([O-])=O,"InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3",DVEKCXOJTLDBFE-UHFFFAOYSA-N
DB07632,,"5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide",experimental,,,,,,D9Z,,,CHEMBL360356,10875,,,165323,NS(=O)(=O)C1=NN=C(S1)C1=CC=CC=C1Cl,"InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)",PZVGOWIIHCUHAO-UHFFFAOYSA-N
DB07633,,octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside,experimental,,,,,,DA8,,ZINC000053683113,,,,,46937084,[H][C@@]1(O)C[C@@]([H])(O[C@]2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(OCCCCCCCC)O[C@]1([H])CO,"InChI=1S/C20H38O9/c1-3-4-5-6-7-8-9-26-19-14(10-13(22)15(11-21)29-19)28-20-18(25)17(24)16(23)12(2)27-20/h12-25H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18-,19+,20-/m0/s1",FBVFDKBCZLMLQT-PPCMOIRNSA-N
DB07634,13335-71-2,"(2,6-Dimethylphenoxy)acetic acid",experimental,,,,,,DBA,,ZINC000000120508,,,,,101369,CC1=CC=CC(C)=C1OCC(O)=O,"InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)",MLBCURLNKYKBEQ-UHFFFAOYSA-N
DB07635,611-99-4,"4,4'-Dihydroxybenzophenone",experimental,,,,,,DBE,,ZINC000000028449,CHEMBL194859,25807,,34365,69150,OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1,"InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H",RXNYJUSEXLAVNQ-UHFFFAOYSA-N
DB07636,611207-02-4,"5-Heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione",experimental,,,,,,DBT,,,,,,,5288033,CCCCCCCC1=C(O)C2=C(SC=N2)C(=O)C1=O,"InChI=1S/C14H17NO3S/c1-2-3-4-5-6-7-9-11(16)10-14(19-8-15-10)13(18)12(9)17/h8,16H,2-7H2,1H3",PJALLUJRPFUWAF-UHFFFAOYSA-N
DB07637,300-38-9,Dibromotyrosine,experimental,,H03BX02,,,,DBY,4413,ZINC000000057299,CHEMBL1232132,,,28335,67532,[H][C@](N)(CC1=CC(Br)=C(O)C(Br)=C1)C(O)=O,"InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1",COESHZUDRKCEPA-ZETCQYMHSA-N
DB07638,,"(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL",experimental,,,,,,DC8,,ZINC000014972438,CHEMBL236718,19982,,,11197931,[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1",QJSMFUTULGSHNQ-ZOBUZTSGSA-N
DB07639,,3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER,experimental,,,,,,DCH,,,,,,,75243795,CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(N)N)C1=CC=C(OC2CCNC2)C=C1,"InChI=1S/C26H31N3O3/c1-2-31-26(30)24(19-7-9-22(10-8-19)32-23-11-12-29-16-23)14-17-3-4-18-5-6-20(25(27)28)15-21(18)13-17/h3-10,13,15,23-25,29H,2,11-12,14,16,27-28H2,1H3",LOYXUXZQQVEADT-UHFFFAOYSA-N
DB07640,,"2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",experimental,,,,,,DCQ,,ZINC000002575028,CHEMBL217894,,,52020,2971,CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O,"InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3",VMEGFMNVSYVVOM-UHFFFAOYSA-N
DB07641,2190-95-6,Decyl(dimethyl)phosphine oxide,experimental,,,,,,DCX,,ZINC000003130911,,,,,3492020,CCCCCCCCCCP(C)(C)=O,"InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3",GSVLCKASFMVUSW-UHFFFAOYSA-N
DB07642,,"5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine",experimental,,,,,,DD1,,ZINC000028971675,CHEMBL251429,50232538,,,23729147,NC1=NC2=CC=CC(OCC3CCN(CC4=CC=CC=C4F)CC3)=C2C(N)=N1,"InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)",GYKIQIOWVKCVBP-UHFFFAOYSA-N
DB07643,,"5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine",experimental,,,,,,DD2,,ZINC000053683120,CHEMBL1232147,36530,,,24978486,NC1=NC2=C(C(N)=N1)C(OCC1CCN(CC3=C(Cl)C(Cl)=CC=C3)CC1)=CC=C2,"InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)",XVLUVRFYGVJKGJ-UHFFFAOYSA-N
DB07644,,"5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine",experimental,,,,,,DD3,,ZINC000028971518,CHEMBL253976,50232565,,,24778299,[H][C@@](C)(OC1=C2C(N)=NC(N)=NC2=CC=C1)C1=CC(Cl)=CC=C1,"InChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1",IDHINEMSCUFEIP-VIFPVBQESA-N
DB07645,111-20-6,Sebacic acid,experimental,,,,1427068,,DEC,,ZINC000001531045,CHEMBL1232164,,,41865,5192,OC(=O)CCCCCCCCC(O)=O,"InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)",CXMXRPHRNRROMY-UHFFFAOYSA-N
DB07646,,"UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE",experimental,,,,,,DET,,ZINC000002516963,,,,,4112111,CCCCCCCCCCC[N+](C)(C)[O-],"InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3",OZHBUVQCJMARBN-UHFFFAOYSA-N
DB07647,,"(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL",experimental,,,,,,DF1,,ZINC000006416413,,,,,4369434,[H][C@](C)(O)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,"InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)/t14-/m1/s1",VBASHTSSQNDDAS-CQSZACIVSA-N
DB07648,,"(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL",experimental,,,,,,DF2,,ZINC000006475920,,,,,4369435,[H][C@](O)(CO)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,"InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)/t16-/m1/s1",TWEONIHFGKSPLC-MRXNPFEDSA-N
DB07649,,"(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol",experimental,,,,,,DF9,,ZINC000013647999,CHEMBL1232180,,,,10067695,[H][C@]1(O)CN(CC2=CNC3=C2N=CN=C3N)C[C@]1([H])CSCC1=CC=CC=C1,"InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)/t15-,16+/m1/s1",DIGGNILBPCEZIV-CVEARBPZSA-N
DB07650,5451-52-5,Decyl formate,experimental,,,,,,DFD,,ZINC000001583950,,,,179392,79541,CCCCCCCCCCOC=O,"InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h11H,2-10H2,1H3",BCLJZFLDSCTULJ-UHFFFAOYSA-N
DB07651,,N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE,experimental,,,,,,DFM,,ZINC000013674405,CHEMBL196526,13472,,47379,9547919,[H][C@@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O,"InChI=1S/C21H24F2N3O6P/c1-13(27)25-18(12-14-5-3-2-4-6-14)20(29)26-17(19(24)28)11-15-7-9-16(10-8-15)21(22,23)33(30,31)32/h2-10,17-18H,11-12H2,1H3,(H2,24,28)(H,25,27)(H,26,29)(H2,30,31,32)/t17-,18-/m0/s1",KPMMESISHWWXNM-ROUUACIJSA-N
DB07652,,"1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE",experimental,,,,,,DFT,,ZINC000053683130,,,,,46937086,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F,"InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1",NMMWBGNJJMNAIJ-QJPTWQEYSA-N
DB07653,,"N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE",experimental,,,,,,DFW,,ZINC000000383023,CHEMBL363302,14802,,,848641,OC(=O)CNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)",VXTCEUDVOCLEJG-UHFFFAOYSA-N
DB07654,,"(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC",experimental,,,,,,DFY,,ZINC000006379141,CHEMBL364811,14801,,,4369432,CN(CCO)C1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3",VDJWWYRYKMXMKA-UHFFFAOYSA-N
DB07655,,"3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE",experimental,,,,,,DFZ,,ZINC000006475919,CHEMBL366312,14803,,,4369433,OCCNC1=NC=NC2=C1C(=C(N2)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)",MPJYGQHMIFDQIN-UHFFFAOYSA-N
DB07657,,PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER,experimental,,,,,,DHG,,,,,,,131505,[H][C@@](CCCC)(CO[P@](O)(=O)OCCO)NC(=O)CCCCCCCCCCC,"InChI=1S/C20H42NO6P/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-19(14-6-4-2)18-27-28(24,25)26-17-16-22/h19,22H,3-18H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1",SLLQAGCLXXPCKZ-LJQANCHMSA-N
DB07658,,AC-(D)Phe-pro-borolys-OH,experimental,,,,,,DI2,,ZINC000169748501,CHEMBL100109,50288414,,,5288064,CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O,"InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1",UCQIHCRMWNRFNP-QYZOEREBSA-N
DB07659,,AC-(D)PHE-PRO-BOROHOMOLYS-OH,experimental,,,,,,DI4,,ZINC000169748502,,,,,5288066,[H][C@@](CCCCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O,"InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1",AILSWIBFGYYZTK-AABGKKOBSA-N
DB07660,,AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH,experimental,,,,,,DI5,,ZINC000169748503,,,,,5288067,[H][C@@](CCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O,"InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1",YKWKWNKWBGQECF-SQNIBIBYSA-N
DB07661,575-44-0,"1,6-Naphthalenediol",experimental,,,,,,DIN,,ZINC000000388551,CHEMBL204394,,,42040,68463,OC1=CC=C2C(O)=CC=CC2=C1,"InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H",FZZQNEVOYIYFPF-UHFFFAOYSA-N
DB07662,194423-15-9,PD-168393,experimental,,,,,,DJK,,ZINC000001488208,CHEMBL285063,4567,,131504,4708,BrC1=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=CC=C1,"InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)",HTUBKQUPEREOGA-UHFFFAOYSA-N
DB07663,,"2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID",experimental,,,,,,DK2,,,CHEMBL264702,,,,7013169,[H][C@](CC1=CC=C(O)C=C1)(N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O)C(O)=O,"InChI=1S/C18H13NO7/c20-11-4-1-9(2-5-11)7-14(18(25)26)19-15(21)12-6-3-10(17(23)24)8-13(12)16(19)22/h1-6,8,14,20H,7H2,(H,23,24)(H,25,26)/t14-/m1/s1",QISJEFYTLZTWIQ-CQSZACIVSA-N
DB07664,443798-47-8,K-00546,experimental,,,,,,DKI,,ZINC000012355112,CHEMBL261720,6878,,,5330812,NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F,"InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)",ARIOBGGRZJITQX-UHFFFAOYSA-N
DB07665,,"N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide",experimental,,,,,,DKK,,ZINC000029042456,CHEMBL257543,50377622,,,9867609,[H]N([H])C(=NOCCN([H])C(=O)CC1=C(C=CC(N([H])CC(F)(F)C2=CC=CC=N2)=C1F)C#N)N([H])[H],"InChI=1S/C19H20F3N7O2/c20-17-13(9-16(30)27-7-8-31-29-18(24)25)12(10-23)4-5-14(17)28-11-19(21,22)15-3-1-2-6-26-15/h1-6,28H,7-9,11H2,(H,27,30)(H4,24,25,29)",STHCHQXQLDMISY-UHFFFAOYSA-N
DB07666,,"(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE",experimental,,,,,,DLI,,ZINC000014958755,CHEMBL1232261,15498,,,16750059,[H][C@]1(N)CN(C[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=CC(=NC=N1)C1=CC(=CC=C1)S(C)(=O)=O,"InChI=1S/C21H19F3N4O2S/c1-31(29,30)13-4-2-3-12(5-13)20-8-21(27-11-26-20)28-9-15(19(25)10-28)14-6-17(23)18(24)7-16(14)22/h2-8,11,15,19H,9-10,25H2,1H3/t15-,19+/m1/s1",OAWGQHXWGXOUKV-BEFAXECRSA-N
DB07667,,"2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID",experimental,,,,,,DMB,,ZINC000005067020,,,,,,CC1=CC(=CC(C)=C1O)\N=N\C1=CC=CC=C1C(O)=O,"InChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+",ZMDQWZFZPGJFPM-WUKNDPDISA-N
DB07668,125769-41-7,alpha-Methyl-2-hydroxy-4-diethylaminocinnamic acid,experimental,,,,,,DMC,,,,,,,5288082,CCN(CC)C1=CC(O)=C(\C=C(/C)C(O)=O)C=C1,"InChI=1S/C14H19NO3/c1-4-15(5-2)12-7-6-11(13(16)9-12)8-10(3)14(17)18/h6-9,16H,4-5H2,1-3H3,(H,17,18)/b10-8+",JAEWDFYDSACHDN-CSKARUKUSA-N
DB07669,2197-57-1,"2,3-Dimethyl-1,4-naphthoquinone",experimental,,,,,,DMW,,ZINC000003063275,CHEMBL354201,,,,16615,CC1=C(C)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C12H10O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3",LGFDNUSAWCHVJN-UHFFFAOYSA-N
DB07670,374632-71-0,"N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide",experimental,,,,,,DMZ,,,CHEMBL332958,50105824,,,447297,CN(C1=CC=NN1C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1,"InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3",KRHPBWNETCEFGS-UHFFFAOYSA-N
DB07671,,"2-[1-METHYLHEXYL]-4,6-DINITROPHENOL",experimental,,,,,,DNT,,,,,,,4630702,CCCCCC(C)C1=C(O)C(=CC(=C1)N(=O)=O)N(=O)=O,"InChI=1S/C13H18N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h7-9,16H,3-6H2,1-2H3",RROCMCBQTUYDSD-UHFFFAOYSA-N
DB07672,,TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE,experimental,,,,,,DP4,,,,,,59555,,[H][C@@]1(CC[N@@+](C)([O-])CC1)[Si](C)(C)C1=CC=CC=C1,"InChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-,15+",HDJXTRKZEHHECC-GASCZTMLSA-N
DB07673,14367-54-5,(2S)-2-Methyl-3-phenylpropanoic acid,experimental,,,,,,,,ZINC000000395523,,,,,5288102,C[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1",MCIIDRLDHRQKPH-QMMMGPOBSA-N
DB07674,,"O,O-DIETHYL HYDROGEN THIOPHOSPHATE",experimental,,,,,,DPJ,,ZINC000001565280,CHEMBL1232328,50487243,,28006,655,CCOP(O)(=S)OCC,"InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)",PKUWKAXTAVNIJR-UHFFFAOYSA-N
DB07675,,(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID,experimental,,,,,,DRF,,,CHEMBL24038,50109551,,,447458,[H][C@@](CC1=CC=C(OCCN2C3=C(OC4=C2C=CC=C4)C=CC=C3)C=C1)(OCC)C(O)=O,"InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1",WMUIIGVAWPWQAW-DEOSSOPVSA-N
DB07676,,"3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one",experimental,,,,,,DRK,,ZINC000033943519,,,,,,OC[C@@H](O)CCONC1=C(NC2=CC=CC=C12)C1=C2C=CC=CC2=NC1=O,"InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,23-25H,9-11H2/t12-/m0/s1",CKLAPOFDFZKCPB-LBPRGKRZSA-N
DB07677,,"2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one",experimental,,,,,,DRL,,ZINC000013831221,CHEMBL483348,50277614,,,135522417,CC1=NC2=C(CSCC2)C(=O)N1,"InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)",HRYKZAKEAVZGJD-UHFFFAOYSA-N
DB07678,,"(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL",experimental,,,,,,DRQ,,ZINC000031861332,,,,,42627296,[H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1,"InChI=1S/C22H30O2/c1-3-4-5-15-12-18-14(13-20(15)23)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)24/h4-5,12-13,16-17,19,21,23-24H,3,6-11H2,1-2H3/b5-4-/t16-,17+,19-,21-,22-/m0/s1",ANAMDWGJXBYJEB-OPWFCKQNSA-N
DB07679,,"(9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid",experimental,,,,,,DRS,,ZINC000016052655,,,,,10713671,[H][C@]1(CC2=CC=C(OCCCCC(=O)N[C@@]([H])(C(C)C)C(=O)N1)C=C2)C(O)=O,"InChI=1S/C19H26N2O5/c1-12(2)17-18(23)20-15(19(24)25)11-13-6-8-14(9-7-13)26-10-4-3-5-16(22)21-17/h6-9,12,15,17H,3-5,10-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t15-,17-/m0/s1",RRAAROKJUVKWAF-RDJZCZTQSA-N
DB07680,,[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID,experimental,,,,,,DRX,,ZINC000028604312,,,,,16122567,[H][C@@](C(=O)NC1=CC=C2C=CC=CC2=C1)(C1=CSC2=C1C=C(Cl)C=C2)P(O)(O)=O,"InChI=1S/C20H15ClNO4PS/c21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19H,(H,22,23)(H2,24,25,26)/t19-/m0/s1",HUJXISJLAPAFBO-IBGZPJMESA-N
DB07681,,DODECANESULFONATE ION,experimental,,,,,,DSC,,,,,,,3383616,CCCCCCCCCCCCS([O-])(=O)=O,"InChI=1S/C12H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1",LDMOEFOXLIZJOW-UHFFFAOYSA-M
DB07683,,"N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine",experimental,,,,,,DSV,,ZINC000053683149,,,,,24794392,[H][C@](NS(=O)(=O)C1=CC2=C(C=C1)C1=CC=CC=C1S2)(C(C)C)C(O)=O,"InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-13-12-5-3-4-6-14(12)23-15(13)9-11/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1",RZWYSEXQXOXWKA-INIZCTEOSA-N
DB07684,,5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID,experimental,,,,,,DSY,,ZINC000006388560,,,,,4474224,CN(C)C1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O,"InChI=1S/C12H13NO3S/c1-13(2)12-5-3-4-9-8-10(17(14,15)16)6-7-11(9)12/h3-8H,1-2H3,(H,14,15,16)",VENHBDIMAAXWKI-UHFFFAOYSA-N
DB07685,,"4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",experimental,,,,,,DT1,,ZINC000014948094,CHEMBL206109,11447,,,23586145,NS(=O)(=O)C1=CC=C(NC2=CC(OCC3CCCCC3)=NC3=NC=NN23)C=C1,"InChI=1S/C18H22N6O3S/c19-28(25,26)15-8-6-14(7-9-15)22-16-10-17(23-18-20-12-21-24(16)18)27-11-13-4-2-1-3-5-13/h6-10,12-13,22H,1-5,11H2,(H2,19,25,26)",NMAZGYDYIYLSLJ-UHFFFAOYSA-N
DB07686,,"4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",experimental,,,,,,DT2,,ZINC000014948100,CHEMBL203569,11449,,,23586146,NS(=O)(=O)C1=CC=C(NC2=CC(NC3CCCCC3)=NC3=NC=NN23)C=C1,"InChI=1S/C17H21N7O2S/c18-27(25,26)14-8-6-13(7-9-14)22-16-10-15(21-12-4-2-1-3-5-12)23-17-19-11-20-24(16)17/h6-12,22H,1-5H2,(H2,18,25,26)(H,19,20,21,23)",VPOGRVWIIVMWRI-UHFFFAOYSA-N
DB07687,,"4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE",experimental,,,,,,DT4,,,CHEMBL380331,11452,,,,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=NC=NN2C(NC2=CC=C(C=C2)S(N)(=O)=O)=C1,"InChI=1S/C17H22N8O2S/c18-11-1-3-12(4-2-11)22-15-9-16(25-17(24-15)20-10-21-25)23-13-5-7-14(8-6-13)28(19,26)27/h5-12,23H,1-4,18H2,(H2,19,26,27)(H,20,21,22,24)/t11-,12-",LVRKQJAEQWVSCM-HAQNSBGRSA-N
DB07688,,"4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",experimental,,,,,,DT5,,ZINC000014948097,CHEMBL203407,11448,,,11574606,NS(=O)(=O)C1=CC=C(NC2=CC(OC3CCCCC3)=NC3=NC=NN23)C=C1,"InChI=1S/C17H20N6O3S/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13/h6-11,13,21H,1-5H2,(H2,18,24,25)",RPJIMTALCNCQLV-UHFFFAOYSA-N
DB07689,,"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE",experimental,,,,,,DVP,,ZINC000053683152,CHEMBL1232399,50398395,,,25243853,COC(=O)C1CCN(CC1)C(=O)C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)N=C3N)C=C1,"InChI=1S/C21H24N8O3/c1-32-20(31)13-6-8-29(9-7-13)19(30)12-2-4-14(5-3-12)24-10-15-11-25-18-16(26-15)17(22)27-21(23)28-18/h2-5,11,13,24H,6-10H2,1H3,(H4,22,23,25,27,28)",NYNAFINLHQEHKU-UHFFFAOYSA-N
DB07691,,"2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid",experimental,,,,,,DY6,,ZINC000013261360,CHEMBL523395,28663,,,24941254,OC(=O)C1=C(NC(=O)C2=CC=CC(=C2)S(=O)(=O)N2CCC3=CC=CC=C3C2)C=CC=C1,"InChI=1S/C23H20N2O5S/c26-22(24-21-11-4-3-10-20(21)23(27)28)17-8-5-9-19(14-17)31(29,30)25-13-12-16-6-1-2-7-18(16)15-25/h1-11,14H,12-13,15H2,(H,24,26)(H,27,28)",GYILVHHTCYNIOS-UHFFFAOYSA-N
DB07692,,"1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine",experimental,,,,,,DYY,,,CHEMBL1090777,,,93004,25210493,FC1=CC=CC(F)=C1S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1,"InChI=1S/C18H18F2N2O6S2/c19-14-2-1-3-15(20)18(14)30(25,26)22-8-6-21(7-9-22)29(23,24)13-4-5-16-17(12-13)28-11-10-27-16/h1-5,12H,6-11H2",SHWNKRPMUBFWKE-UHFFFAOYSA-N
DB07693,,"N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide",experimental,,,,,,DZ1,,ZINC000040949497,CHEMBL489657,,,,25210478,CC1=CC=CC(C)=C1C(=O)NC1=CC(Br)=C(O)C(Br)=C1,"InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20)",IFECSMFQARKPSU-UHFFFAOYSA-N
DB07694,,"2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide",experimental,,,,,,DZ2,,ZINC000032116602,CHEMBL489285,,,,5119267,OC1=C(Br)C=C(NC(=O)C2=CC(Cl)=CC=C2Cl)C=C1Br,"InChI=1S/C13H7Br2Cl2NO2/c14-9-4-7(5-10(15)12(9)19)18-13(20)8-3-6(16)1-2-11(8)17/h1-5,19H,(H,18,20)",IFLWCZRMFPKYBN-UHFFFAOYSA-N
DB07695,,"N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide",experimental,,,,,,DZ3,,ZINC000040845789,CHEMBL453137,,,,25210479,CC1=CC(=CC(C)=C1O)C(=O)NC1=CC(Br)=C(O)C(Br)=C1,"InChI=1S/C15H13Br2NO3/c1-7-3-9(4-8(2)13(7)19)15(21)18-10-5-11(16)14(20)12(17)6-10/h3-6,19-20H,1-2H3,(H,18,21)",HHFKUQZPNITQLU-UHFFFAOYSA-N
DB07696,,methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate,experimental,,,,,,DZE,,ZINC000039275102,,,,,46937089,[H][C@@](CC(=O)OC)(NC(=O)OC(C)(C)C)C(C)=O,"InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1",QKEQESWFLCEUCV-QMMMGPOBSA-N
DB07697,,"1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine",experimental,,,,,,DZG,,ZINC000001380276,CHEMBL1088762,,,92774,650361,COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1,"InChI=1S/C19H22N2O7S2/c1-26-15-2-4-16(5-3-15)29(22,23)20-8-10-21(11-9-20)30(24,25)17-6-7-18-19(14-17)28-13-12-27-18/h2-7,14H,8-13H2,1H3",HMGDKYUJSFVHIY-UHFFFAOYSA-N
DB07698,,"3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine",experimental,,,,,,DZO,,ZINC000033943533,,,,,6419789,NC1=CC=CC(=C1)C1=C2N=C(NC3=CC=CC(Cl)=C3)C=CN2N=C1,"InChI=1S/C18H14ClN5/c19-13-4-2-6-15(10-13)22-17-7-8-24-18(23-17)16(11-21-24)12-3-1-5-14(20)9-12/h1-11H,20H2,(H,22,23)",JDNMRPIWJIDDAY-UHFFFAOYSA-N
DB07700,,"3-carboxamido-1,3,5(10)-estratrien-17(R)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran",experimental,,,,,,E04,,ZINC000016051746,CHEMBL521703,50384947,,,11987804,[H][C@@]12CC[C@@]3(CCC(C)(C)C(=O)O3)[C@@]1(C)CC[C@]1([H])C3=CC=C(C=C3CC[C@@]21[H])C(N)=O,"InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18-,19-,20+,24+,25-/m1/s1",YVAJWBACBRSVPR-NDUHRLLKSA-N
DB07701,,"1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE",experimental,,,,,,E20,,ZINC000000897251,CHEMBL107316,50037187,,53292,1150567,[H][C@@]1(CC2CCN(CC3=CC=CC=C3)CC2)CC2=CC(OC)=C(OC)C=C2C1=O,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1",ADEBPBSSDYVVLD-HXUWFJFHSA-N
DB07702,1228-72-4,17alpha-Estriol,experimental,,,,,,E3O,,ZINC000003881360,CHEMBL1232445,,,42156,256737,[H][C@@]12C[C@@H](O)[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1",PROQIPRRNZUXQM-PNVOZDDCSA-N
DB07703,,"(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE",experimental,,,,,,E4H,,,,,,29461,5282031,[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)\C=C\C1=O,"InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1",NZUJVBSYQXETNF-PQWITYJESA-N
DB07704,,"6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE",experimental,,,,,,E89,,ZINC000016051688,CHEMBL487739,50271082,,,135476766,COC1=CC=C(CCC2=C3N=CNC3=CC3=C2N=C(N)NC3=O)C=C1,"InChI=1S/C18H17N5O2/c1-25-11-5-2-10(3-6-11)4-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-3,5-6,8-9H,4,7H2,1H3,(H,20,21)(H3,19,22,23,24)",UKRVQKUVWNDGMN-UHFFFAOYSA-N
DB07705,73094-37-8,(S)-econazole,experimental,,,,,,ECN,,ZINC000000596881,,,,82872,12773795,ClC1=CC=C(CO[C@H](CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m1/s1",LEZWWPYKPKIXLL-GOSISDBHSA-N
DB07706,362-05-0,2-Hydroxyestradiol,experimental,9472688,,,,,ECS,,ZINC000003815419,CHEMBL467987,50262140,,28744,247304,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=C(C=C(O)C(O)=C4)[C@@]3([H])CC[C@]12C,"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1",DILDHNKDVHLEQB-XSSYPUMDSA-N
DB07707,,"(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL",experimental,,,,,,EED,,ZINC000013610524,,,,,23728517,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C,"InChI=1S/C20H28O3/c1-20-10-13(11-23-2)19-15-6-4-14(21)9-12(15)3-5-16(19)17(20)7-8-18(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16+,17+,18+,19-,20+/m1/s1",LEOPSILMAOYZBO-IUTAEKPZSA-N
DB07708,,3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL,experimental,,,,,,EES,,ZINC000013609473,CHEMBL180071,,,,11368987,OC1=CC=C(C=C1)N1N=C2C=CC(O)=CC2=C1Cl,"InChI=1S/C13H9ClN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H",ZNHQDSBJVFFIAK-UHFFFAOYSA-N
DB07710,,PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE,experimental,,,,,,EG3,,ZINC000053293458,CHEMBL1160965,,,,444849,[H][C@](N)(CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C22H30N4O6S/c23-20(16-17-4-2-1-3-5-17)22(28)26-11-13-32-15-14-31-12-10-25-21(27)18-6-8-19(9-7-18)33(24,29)30/h1-9,20H,10-16,23H2,(H,25,27)(H,26,28)(H2,24,29,30)/t20-/m0/s1",QNZDHHNWUXIYOH-FQEVSTJZSA-N
DB07711,,"(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol",experimental,,,,,,EH9,,ZINC000001558334,CHEMBL296435,28393,,63059,149790,[H][C@@](C)(O)[C@@]([H])(CCCCCC)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1",IOSAAWHGJUZBOG-WDEREUQCSA-N
DB07712,,3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL,experimental,,,,,,EI1,,ZINC000013609494,CHEMBL180517,,,,11149479,CCC1=C2C=C(O)C=CC2=NN1C1=CC=C(O)C=C1,"InChI=1S/C15H14N2O2/c1-2-15-13-9-12(19)7-8-14(13)16-17(15)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3",XBMVVMYGKMGLJX-UHFFFAOYSA-N
DB07713,,"(1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid",experimental,,,,,,EIN,,ZINC000013680269,CHEMBL382201,12073,,,6540261,COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O,"InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1",BZVYQWLRCHLAGK-KRWDZBQOSA-N
DB07714,,"6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID",experimental,,,,,,ELI,,ZINC000001909560,CHEMBL135287,,,,10708341,CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)",ICGRXHWXPCXIKM-UHFFFAOYSA-N
DB07715,518-82-1,Emodin,investigational,,,,,,EMO,,ZINC000003824868,CHEMBL289277,11318,,42223,3220,CC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",RHMXXJGYXNZAPX-UHFFFAOYSA-N
DB07716,,"(4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL",experimental,,,,,,ENE,,,,,,59526,45480632,[H][C@@]12C[C@]3([H])O[C@]4([H])C\C=C/[C@]([H])(O)[C@@]([H])(CO)O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@]([H])(O)[C@@]1([H])OCC=CC[C@]1([H])O2,"InChI=1S/C22H30O8/c23-11-19-12(24)4-3-6-13-14(28-19)7-8-15-17(27-13)10-18-22(30-15)20(25)21-16(29-18)5-1-2-9-26-21/h1-4,7-8,12-25H,5-6,9-11H2/b4-3-/t12-,13+,14-,15+,16-,17-,18+,19+,20+,21-,22+/m0/s1",VDRIXSJOPKVWKM-HXGIDPQASA-N
DB07717,,"(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE",experimental,,,,,,ENM,,ZINC000016052389,CHEMBL485835,,,,16750073,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12CCOCC1=CC(F)=CC(F)=C1,"InChI=1S/C27H36F2O3/c1-26-8-6-21(30)14-18(26)2-3-22-23(26)7-9-27(24(22)4-5-25(27)31)10-11-32-16-17-12-19(28)15-20(29)13-17/h12-13,15,18,22-25,31H,2-11,14,16H2,1H3/t18-,22+,23-,24-,25-,26-,27+/m0/s1",AJODXHGZHBERGJ-JLYQOUBASA-N
DB07718,156-39-8,4-Hydroxyphenylpyruvic acid,experimental,,,,,,ENO,,ZINC000000895711,CHEMBL607712,,,15999,979,OC(=O)C(=O)CC1=CC=C(O)C=C1,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)",KKADPXVIOXHVKN-UHFFFAOYSA-N
DB07719,,"[(3R)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid",experimental,,,,,,ENT,,ZINC000014952656,,,,,5327155,[H]N(C)C(=O)[C@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)N([H])S(O)(=O)=O,"InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m1/s1",PPSSYXOFPICMQD-CYBMUJFWSA-N
DB07720,140111-52-0,Epibatidine,experimental,,,,,,EPJ,,ZINC000000402872,CHEMBL298826,50143314,,,854023,[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1",NLPRAJRHRHZCQQ-IVZWLZJFSA-N
DB07721,,DIETHYL 4-METHOXYPHENYL PHOSPHATE,experimental,,,,,,EPL,,ZINC000016052490,,,,,11207678,CCOP(=O)(OCC)OC1=CC=C(OC)C=C1,"InChI=1S/C11H17O5P/c1-4-14-17(12,15-5-2)16-11-8-6-10(13-3)7-9-11/h6-9H,4-5H2,1-3H3",GDWXALVJBAAUJN-UHFFFAOYSA-N
DB07722,,3-(4-NITRO-PHENOXY)-PROPAN-1-OL,experimental,,,,,,EPN,,,,,,,4474777,OCCCOC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C9H11NO4/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,11H,1,6-7H2",XHRNQMMJGWBTBU-UHFFFAOYSA-N
DB07723,,3-(5-methoxy-1H-indol-3-yl)propanoic acid,experimental,,,,,,ET0,,ZINC000000195148,,,,,181137,COC1=CC=C2NC=C(CCC(O)=O)C2=C1,"InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)",ZLSZCJIWILJKMR-UHFFFAOYSA-N
DB07724,835619-41-5,Indeglitazar,experimental,,,,,,ET1,,ZINC000039202807,CHEMBL1232583,,INDEGLITAZAR,,11395145,COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12,"InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)",YMPALHOKRBVHOJ-UHFFFAOYSA-N
DB07726,1948-33-0,t-Butylhydroquinone,experimental,,,,1362739,,EYK,,ZINC000000388085,CHEMBL242080,50065387,,78886,16043,CC(C)(C)C1=C(O)C=CC(O)=C1,"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3",BGNXCDMCOKJUMV-UHFFFAOYSA-N
DB07728,,"2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE",experimental,,,,,,F10,,ZINC000016052794,CHEMBL226471,30192,,,11992146,FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1,"InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)",XJJYJNMNYDNXNO-UHFFFAOYSA-N
DB07729,,3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide,experimental,,,,,,F13,,ZINC000006742509,CHEMBL1213447,,,,6470990,FC1=CC(=CC=C1)C(=O)NC1=CC=CC(=C1)C1=NN=NN1,"InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)",GAKOBKPDJJGRIL-UHFFFAOYSA-N
DB07730,,"5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE",experimental,,,,,,F16,,,,13806,,,10062718,OC1=CC(=CC=C1)C1=CC(=O)NS1(=O)=O,"InChI=1S/C9H7NO4S/c11-7-3-1-2-6(4-7)8-5-9(12)10-15(8,13)14/h1-5,11H,(H,10,12)",FJABEDRGNJSWCC-UHFFFAOYSA-N
DB07731,140651-18-9,CAN-508,experimental,,,,,,F18,,ZINC000100035856,CHEMBL215205,50455463,,,,NC1=C(\N=N\C2=CC=C(O)C=C2)C(N)=NN1,"InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12+",AYZRKFOEZQBUEA-OUKQBFOZSA-N
DB07732,,2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE,experimental,,,,,,F19,,ZINC000016051903,,,,,11473003,OP(O)(=O)OCCNS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1,"InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)",FCROUVVWZFPGFM-UHFFFAOYSA-N
DB07733,,"1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE",experimental,,,,,,F1G,,ZINC000038189539,,,,,6852193,CN1N=C(C2=C1SC(=C2)C(=O)NCCS)C(F)(F)F,"InChI=1S/C10H10F3N3OS2/c1-16-9-5(7(15-16)10(11,12)13)4-6(19-9)8(17)14-2-3-18/h4,18H,2-3H2,1H3,(H,14,17)",HDKGQVZBBSICLG-UHFFFAOYSA-N
DB07734,,N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide,experimental,,,,,,F1H,,ZINC000039029985,,,,,25134249,SCCCC(=O)NC1CCN(CC2=CC=CC=C2)CC1,"InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19)",XNIXPLIQGKQSIE-UHFFFAOYSA-N
DB07735,,"N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide",experimental,,,,,,F1I,,ZINC000039470956,,,,,25134250,COC1=CC=CC(OC)=C1CN1CCC(CC1)NC(=O)CCCS,"InChI=1S/C18H28N2O3S/c1-22-16-5-3-6-17(23-2)15(16)13-20-10-8-14(9-11-20)19-18(21)7-4-12-24/h3,5-6,14,24H,4,7-13H2,1-2H3,(H,19,21)",MUDVORCZGBAHNA-UHFFFAOYSA-N
DB07736,,(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide,experimental,,,,,,F1J,,ZINC000039029987,,,,,25134251,[H][C@]1(CN(CC2=CC=C(F)C=C2)CCN1)C(=O)NCCS,"InChI=1S/C14H20FN3OS/c15-12-3-1-11(2-4-12)9-18-7-5-16-13(10-18)14(19)17-6-8-20/h1-4,13,16,20H,5-10H2,(H,17,19)/t13-/m0/s1",CEXXKSSFAKABEN-ZDUSSCGKSA-N
DB07737,,(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide,experimental,,,,,,F1K,,ZINC000039029988,,,,,25134252,[H][C@]1(CN(CC2=CC=C(F)C=C2)CCN1)C(=O)NCCCS,"InChI=1S/C15H22FN3OS/c16-13-4-2-12(3-5-13)10-19-8-7-17-14(11-19)15(20)18-6-1-9-21/h2-5,14,17,21H,1,6-11H2,(H,18,20)/t14-/m0/s1",OYTFYWWLBPDTNS-AWEZNQCLSA-N
DB07738,,"N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide",experimental,,,,,,F1L,,ZINC000039029989,,,,,25134253,COC1=C(OC)C(CN2CCC(CC2)NC(=O)CCCS)=CC(Br)=C1,"InChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22)",HESMISSJMKCCAV-UHFFFAOYSA-N
DB07739,,"(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE",experimental,,,,,,F21,,ZINC000013581950,CHEMBL177749,50163110,,,11485425,[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)N1CCSCC1,"InChI=1S/C14H19FN2O2S2/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2/t13-/m1/s1",SBUKSNPHYWXCDG-CYBMUJFWSA-N
DB07740,,"(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid",experimental,,,,,,F24,,,,,,,,[H]C(C(O)=O)=C(C)C(\[H])=C(/C)C[C@]([H])(C)CCCC[C@@]([H])(O)[C@@]([H])(CO)C=O,"InChI=1S/C18H30O5/c1-13(8-14(2)9-15(3)10-18(22)23)6-4-5-7-17(21)16(11-19)12-20/h9-11,13,16-17,20-21H,4-8,12H2,1-3H3,(H,22,23)/b14-9+,15-10?/t13-,16-,17-/m1/s1",CJCDMTWCUXKYGF-QPILVHKNSA-N
DB07741,,"4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE",experimental,,,,,,F25,,ZINC000038444302,,,,,46937090,[H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)N)[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)[C@]([H])(C(F)F)[C@@]21[H],"InChI=1S/C24H27F3N4O/c25-16-9-3-13(4-10-16)12-31-21(22(26)27)18-17-2-1-11-30(17)20(19(18)24(31)32)14-5-7-15(8-6-14)23(28)29/h3-10,17-23H,1-2,11-12,28-29H2/t17-,18-,19-,20-,21-/m0/s1",VPNYXOTTXAXSIH-SXYSDOLCSA-N
DB07742,,"N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE",experimental,,,,,,F2B,,,,12016,,,1700,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC(F)=C1F,"InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)",QASSMVGOSBNFQY-UHFFFAOYSA-N
DB07743,,"S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE",experimental,,,,,,F3F,,,CHEMBL379642,11304,,42403,2822496,FC(F)(F)C1=NN=C(N1)SC(=O)C1=CC=C(O1)C#CC1=CC=CC=C1,"InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)",VNGWUVBXUIDQTK-UHFFFAOYSA-N
DB07744,161401-82-7,Z-Val-Ala-Asp fluoromethyl ketone,experimental,,,,,,,,ZINC000025668028,CHEMBL205821,,,,5497171,CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CF,"InChI=1S/C21H28FN3O7/c1-12(2)18(25-21(31)32-11-14-7-5-4-6-8-14)20(30)23-13(3)19(29)24-15(9-17(27)28)16(26)10-22/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,23,30)(H,24,29)(H,25,31)(H,27,28)/t13-,15-,18-/m0/s1",SUUHZYLYARUNIA-YEWWUXTCSA-N
DB07745,,2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE,experimental,,,,,,F6F,,ZINC000016051902,,,,,16122525,OP(O)(=O)OCCNC(=O)C1=CC=C(OC(F)(F)F)C=C1,"InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18)",YAHFSBJEYPSDPU-UHFFFAOYSA-N
DB07746,,3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID,experimental,,,,,,F77,,ZINC000014965037,CHEMBL230172,17611,,,23647763,CCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C(C(O)=O)=C1C,"InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)",MGUQWAOYPINSIT-UHFFFAOYSA-N
DB07747,,"(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",experimental,,,,,,F83,,ZINC000013607010,,,,,9549217,[H][C@]1(CO)CC2=CC=C(C=C2CN1)S(=O)(=O)NC1=CC=C(Cl)C=C1,"InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1",YTBGBMPLINFTBQ-OAHLLOKOSA-N
DB07748,,2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE,experimental,,,,,,F9F,,ZINC000016051904,,,,,16122526,OP(O)(=O)OCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1,"InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16)",JDDKDMFCTOZVCJ-UHFFFAOYSA-N
DB07749,,2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE,experimental,,,,,,FAF,,ZINC000003874344,,,,,5288190,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(C)=O)C=O,"InChI=1S/C17H24N2O3/c1-12(2)9-16(18-13(3)21)17(22)19-15(11-20)10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t15-,16-/m0/s1",QRDDFQYJOFVDNR-HOTGVXAUSA-N
DB07750,,"(2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",experimental,,,,,,FAL,,ZINC000000602494,,,,,445952,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1,"InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)/t16-/m1/s1",GNLAGGCSJGJECE-MRXNPFEDSA-N
DB07751,,"(2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",experimental,,,,,,FAP,,ZINC000003581447,,,,,445950,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F,"InChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1",ZVSBKYYVBCKDBO-HNNXBMFYSA-N
DB07753,,"3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID",experimental,,,,,,FBC,,ZINC000002513032,CHEMBL432234,,,,5288193,OC(=O)C1=CC=C(C=C1)C1=CC(F)=CC(F)=C1,"InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)",VCEFNMHMLWBFNV-UHFFFAOYSA-N
DB07754,564482-79-7,DCFBC,experimental,,,,,,FBD,,ZINC000039111997,,479368,,,25113157,OC(=O)CC[C@H](NC(=O)N[C@@H](CSCC1=CC=C(F)C=C1)C(O)=O)C(O)=O,"InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1",IDTMSHGCAZPVLC-RYUDHWBXSA-N
DB07755,,"(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",experimental,,,,,,FBL,,ZINC000003581441,,,,,445953,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1,"InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1",GNLAGGCSJGJECE-INIZCTEOSA-N
DB07756,,"1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL",experimental,,,,,,FBQ,,ZINC000003581327,,10504,,,1723,CC1=C(CSCC2=CC(=CC=C2)C(O)(O)C(F)(F)F)C(N)=C2C(F)=CC=CC2=N1,"InChI=1S/C20H18F4N2O2S/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-29-9-12-4-2-5-13(8-12)19(27,28)20(22,23)24/h2-8,27-28H,9-10H2,1H3,(H2,25,26)",GPBGHVRNVGXPNM-UHFFFAOYSA-N
DB07757,,"(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one",experimental,,,,,,FBR,,ZINC000016052063,CHEMBL211614,50185849,,,11987846,CCCC[C@]12CC3=CC(O)=CC=C3C1=C(Br)C(=O)CC2,"InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m0/s1",FTEBGBCQCYMDPH-KRWDZBQOSA-N
DB07758,,"5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID",experimental,,,,,,FC2,,ZINC000000156746,CHEMBL370437,50175451,,,736259,OC(=O)C1=CC=C(O1)C1=CC(Cl)=CC=C1Cl,"InChI=1S/C11H6Cl2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)",ATAZLMGGQQLRBC-UHFFFAOYSA-N
DB07759,,5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID,experimental,,,,,,FC3,,ZINC000000349812,CHEMBL200377,50175443,,,647499,OC(=O)C1=CC=C(O1)C1=CC=CC=C1C(F)(F)F,"InChI=1S/C12H7F3O3/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17)",IJPNRBZMRINMMR-UHFFFAOYSA-N
DB07760,,"3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid",experimental,,,,,,FCF,,ZINC000058568694,CHEMBL1213371,36452,,,25210531,OC(=O)C1=CC=CC(\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2)=C1,"InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-5-4-24-16-8-10-2-1-3-11(6-10)14(21)22/h1-3,6-9H,4-5H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+",TUYDQQMKXSQIQG-GONBZBRSSA-N
DB07761,,"(2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",experimental,,,,,,FCP,,ZINC000003581444,,,,,445951,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F,"InChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1",ZVSBKYYVBCKDBO-OAHLLOKOSA-N
DB07762,,4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID,experimental,,,,,,FDI,,ZINC000002047891,,5267,,,1708,CCC(CC)C(=O)NC1=CC(=CC=C1NC(C)=O)C(O)=O,"InChI=1S/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)",USKXJFHTBQWXCS-UHFFFAOYSA-N
DB07763,,"(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE",experimental,,,,,,FDN,,ZINC000024798879,,,,,9547935,C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F,"InChI=1S/C16H12F2N2O3/c1-16(12-8-7-10(17)9-13(12)18)14(21)20(15(22)23-16)19-11-5-3-2-4-6-11/h2-9,19H,1H3/t16-/m0/s1",OZZFJGCAYWBVBI-INIZCTEOSA-N
DB07764,518-44-5,Fluorescin,experimental,,,,,,FDS,,ZINC000005847030,CHEMBL1232699,,,42492,68205,OC(=O)C1=C(C=CC=C1)C1C2=CC=C(O)C=C2OC2=CC(O)=CC=C12,"InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24)",MURGITYSBWUQTI-UHFFFAOYSA-N
DB07765,,"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE",experimental,,,,,,FE1,,ZINC000053683191,CHEMBL1232702,50398394,,,23629645,COC(=O)C1CCN(CC1)C(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)N=C(N)N=C2N=C1,"InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28)",UKCFUFHREWUXJJ-UHFFFAOYSA-N
DB07766,,"(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}",experimental,,,,,,FEF,,ZINC000044681972,,,,,,[H]N1C(=O)\C(C2=C1C=CC=C2)=C1/N([H])C2=CC=CC=C2/C/1=N\OCC[C@@]([H])(O)CO,"InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,24-25H,9-11H2,(H,22,26)/b19-17-,23-18+/t12-/m1/s1",RKUMZEVCWKZXFV-YOCZKUTFSA-N
DB07767,1135-24-6,Ferulic acid,experimental,,,,1368647,,FER,,ZINC000000058258,CHEMBL32749,50214744,SODIUM FERULATE,17620,445858,COC1=CC(\C=C\C(O)=O)=CC=C1O,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",KSEBMYQBYZTDHS-HWKANZROSA-N
DB07768,481-30-1,Epitestosterone,experimental,,,,,,FFA,,ZINC000004538008,CHEMBL196228,50410492,,42534,10204,[H][C@@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1",MUMGGOZAMZWBJJ-KZYORJDKSA-N
DB07769,,S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE,experimental,,,,,,FHM,,ZINC000003991694,CHEMBL124718,18663,,,5288215,C[C@](O)(COC1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,"InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1",KJMFOTCDISOHDX-INIZCTEOSA-N
DB07770,,5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,FIH,,ZINC000016051917,,,,,9543495,CC1=CC=C(C=C1)S(=O)(=O)NC1=C(SC(=C1)C1=CC=C(F)C=C1)C(O)=O,"InChI=1S/C18H14FNO4S2/c1-11-2-8-14(9-3-11)26(23,24)20-15-10-16(25-17(15)18(21)22)12-4-6-13(19)7-5-12/h2-10,20H,1H3,(H,21,22)",DJPFUQBNQLKCAB-UHFFFAOYSA-N
DB07771,,"[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID",experimental,,,,,,FII,,ZINC000002046984,,,,,445015,CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O,"InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+",JAOBYUCYSAOLHS-XGGJEREUSA-N
DB07772,,"(1R)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid",experimental,,,,,,FIN,,ZINC000013680267,CHEMBL202932,12072,,,6852147,COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O,"InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1",BZVYQWLRCHLAGK-QGZVFWFLSA-N
DB07773,,5-FLUOROINDOLE PROPANOL PHOSPHATE,experimental,,,,,,FIP,,ZINC000003606158,CHEMBL1160523,,,,1819,OP(O)(=O)OCCCC1=CNC2=C1C=C(F)C=C2,"InChI=1S/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16)",YVYGGBFCYXRNKM-UHFFFAOYSA-N
DB07775,,"3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE",experimental,,,,,,FL9,,,,,,47414,5288217,OC1=CC(O)=C2C(=O)\C(OC2=C1)=C\C1=C(O)C(Br)=C(O)C(Br)=C1,"InChI=1S/C15H8Br2O6/c16-7-1-5(13(20)12(17)14(7)21)2-10-15(22)11-8(19)3-6(18)4-9(11)23-10/h1-4,18-21H/b10-2-",BRPKBUNFOZFULQ-SGAXSIHGSA-N
DB07776,525-82-6,Flavone,"['experimental', 'approved']",,,,1536070,,FLN,,ZINC000000057674,CHEMBL275638,50028962,FLAVONE,42491,10680,O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1,InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,VHBFFQKBGNRLFZ-UHFFFAOYSA-N
DB07778,132584-12-4,(S)-famoxadone,experimental,,,,,,FMX,,ZINC000006491064,CHEMBL10118,,,106738,446845,C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1",PCCSBWNGDMYFCW-QFIPXVFZSA-N
DB07779,,N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE,experimental,,,,,,FPB,,ZINC000014948268,CHEMBL425584,11559,,,5494422,[H][C@](N)(CC(=O)N1CCC[C@@]1([H])CNC(=O)C1=CC=CC=C1)CC1=C(F)C=CC=C1,"InChI=1S/C22H26FN3O2/c23-20-11-5-4-9-17(20)13-18(24)14-21(27)26-12-6-10-19(26)15-25-22(28)16-7-2-1-3-8-16/h1-5,7-9,11,18-19H,6,10,12-15,24H2,(H,25,28)/t18-,19+/m1/s1",ANQHSFFUNMTTRS-MOPGFXCFSA-N
DB07780,13058-04-3,Farnesyl diphosphate,experimental,,,,,,FPP,,ZINC000012494625,CHEMBL69330,50366477,,17407,445713,CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,"InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+",VWFJDQUYCIWHTN-YFVJMOTDSA-N
DB07781,,N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA,experimental,,,,,,FPT,,ZINC000003873317,,,,,3000505,CCOC1=C(F)C(CCNC(=S)NC2=NC=C(C=C2)C#N)=NC=C1,"InChI=1S/C16H16FN5OS/c1-2-23-13-6-8-19-12(15(13)17)5-7-20-16(24)22-14-4-3-11(9-18)10-21-14/h3-4,6,8,10H,2,5,7H2,1H3,(H2,20,21,22,24)",PQSCCWFMTRVFDA-UHFFFAOYSA-N
DB07782,,4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE,experimental,,,,,,FQP,,ZINC000013517846,,,,,1722,NC1=NC(=NC=C1CO[P@@](O)(=O)OP(O)(O)=O)C(F)(F)F,"InChI=1S/C6H8F3N3O7P2/c7-6(8,9)5-11-1-3(4(10)12-5)2-18-21(16,17)19-20(13,14)15/h1H,2H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)",UKNJCTHTCAKKNG-UHFFFAOYSA-N
DB07783,,1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE,experimental,,,,,,FR4,,ZINC000012153009,CHEMBL338076,22929,,,448903,[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)CCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O,"InChI=1S/C25H27N5O3/c26-25(33)22-15-30(17-27-22)21(16-31)11-13-29-12-10-19-7-8-20(14-23(19)29)28-24(32)9-6-18-4-2-1-3-5-18/h1-5,7-8,10,12,14-15,17,21,31H,6,9,11,13,16H2,(H2,26,33)(H,28,32)/t21-/m1/s1",GUYYFMCFEPDDFL-OAQYLSRUSA-N
DB07784,,"[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID",experimental,,,,,,FRA,,,,,,,,[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(CC[C@@]2([H])CC1)NC(=O)OCC(O)=O)C1=CC=C(NC(C)=O)C=C1,"InChI=1S/C21H23N3O7/c1-11(25)22-13-2-4-14(5-3-13)24-18(28)16-12-6-8-21(9-7-12,17(16)19(24)29)23-20(30)31-10-15(26)27/h2-5,12,16-17H,6-10H2,1H3,(H,22,25)(H,23,30)(H,26,27)/t12-,16-,17+,21-/m1/s1",WBCOLMYVEBTZOA-OKRSVSQCSA-N
DB07785,,"1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE",experimental,,,,,,FRC,,ZINC000005890115,CHEMBL92404,22950,,,449015,[H][C@@](C)(O)[C@@]([H])(CCOC1=CC2=C(C=CC=C2)C=C1)N1C=NC(=C1)C(N)=O,"InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1",UYAJDVNLQJVRHD-SCLBCKFNSA-N
DB07786,,"1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE",experimental,,,,,,FRL,,ZINC000033821304,,,,,46937091,[H][C@@](C)(O)[C@]([H])(CCC1=CC=CC2=C1OC(=N2)C1=CC=C(Cl)C=C1)N1C=NC(=C1)C(N)=O,"InChI=1S/C22H21ClN4O3/c1-13(28)19(27-11-18(21(24)29)25-12-27)10-7-14-3-2-4-17-20(14)30-22(26-17)15-5-8-16(23)9-6-15/h2-6,8-9,11-13,19,28H,7,10H2,1H3,(H2,24,29)/t13-,19-/m0/s1",SMFRBBHLVBWHGB-DJJJIMSYSA-N
DB07787,,"5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE",experimental,,,,,,FRQ,,ZINC000006579056,CHEMBL361054,27714,,,448890,FC1=C2C(=O)NC(=O)N(CCCCN3CCC(=CC3)C3=CC=CC=C3)C2=CC=C1,"InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)",PNPFDRCIGCUCMN-UHFFFAOYSA-N
DB07788,,"(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE",experimental,,,,,,FRR,,ZINC000102051776,CHEMBL1079087,,,,46882177,[H]\C1=C([H])/C2=CC(OC)=CC(O)=C2C(=O)O[C@]([H])(C)C\C([H])=C([H])/C(=O)[C@@]([H])(O)[C@@]([H])(O)C1,"InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15+,18-/m1/s1",NEQZWEXWOFPKOT-QHSZRYGNSA-N
DB07789,,"1-[5-Methyl-2-(trifluoromethyl)furan-3-yl]-3-[5-[2-[[6-(1H-1,2,4-triazol-5-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]urea",experimental,,,,,,FRS,,ZINC000034285233,CHEMBL1092830,50314075,,,24875313,CC1=CC(NC(=O)NC2=NC=C(CCNC3=CC(NC4=NC=NN4)=NC=N3)S2)=C(O1)C(F)(F)F,"InChI=1S/C18H17F3N10O2S/c1-9-4-11(14(33-9)18(19,20)21)28-16(32)30-17-23-6-10(34-17)2-3-22-12-5-13(25-7-24-12)29-15-26-8-27-31-15/h4-8H,2-3H2,1H3,(H2,23,28,30,32)(H3,22,24,25,26,27,29,31)",KNTGXMNWVXZIMW-UHFFFAOYSA-N
DB07790,,N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE,experimental,,,,,,FRT,,ZINC000038995985,CHEMBL478409,50263028,,,24963033,COCCNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C(C)C)C=C1,"InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)",LDXLQEXLXZCYSR-UHFFFAOYSA-N
DB07791,,4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE,experimental,,,,,,FRV,,ZINC000038995986,,,,,24901723,CNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C2CC2)C=C1,"InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)",MZWCVBFANHIPTJ-UHFFFAOYSA-N
DB07792,,"(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",experimental,,,,,,FRX,,ZINC000028818268,,,,,11987874,[H][C@@]1(CC2=C(C=CC=C2)N(CC(=O)NCCO)C1=O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,"InChI=1S/C20H19ClN4O4S/c21-16-9-12-8-13(24-19(12)30-16)18(28)23-14-7-11-3-1-2-4-15(11)25(20(14)29)10-17(27)22-5-6-26/h1-4,8-9,14,24,26H,5-7,10H2,(H,22,27)(H,23,28)/t14-/m0/s1",VUKPNWLGSLOHIF-AWEZNQCLSA-N
DB07793,,"(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",experimental,,,,,,FRY,,ZINC000053683214,,,,,46937093,[H][C@@]1(Cl)SC2=NC(=CC2=C1)C(=O)N[C@@]1([H])CC2=C(C=CC=C2)N(CC(N)=O)C1=O,"InChI=1S/C18H15ClN4O3S/c19-14-7-10-6-11(22-17(10)27-14)16(25)21-12-5-9-3-1-2-4-13(9)23(18(12)26)8-15(20)24/h1-4,6-7,12,14H,5,8H2,(H2,20,24)(H,21,25)/t12-,14+/m0/s1",ACSGSLPOHKRZCY-GXTWGEPZSA-N
DB07794,,"5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE",experimental,,,,,,FRZ,,ZINC000028565323,CHEMBL259551,50229978,,91383,53338808,NC1=NNC2=C1C=C(N=N2)C1=C2C=CC=CN2N=C1C1=CC=CC=C1,"InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)",XVECMUKVOMUNLE-UHFFFAOYSA-N
DB07795,528-48-3,Fisetin,experimental,,,,,,FSE,,ZINC000000039111,CHEMBL31574,7457,FISETIN,42567,5281614,OC1=CC2=C(C=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H",XHEFDIBZLJXQHF-UHFFFAOYSA-N
DB07796,,"(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE",experimental,,,,,,FSN,,,,,,,5288257,[H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)=[NH2+])[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)C(=O)[C@@]21[H],"InChI=1S/C23H23FN4O2/c24-16-9-3-13(4-10-16)12-28-22(29)18-17-2-1-11-27(17)20(19(18)23(28)30)14-5-7-15(8-6-14)21(25)26/h3-10,17-20H,1-2,11-12H2,(H3,25,26)/p+1/t17-,18-,19-,20-/m0/s1",GJYCQHGTXMVIBG-MUGJNUQGSA-O
DB07797,,N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA,experimental,,,,,,FTC,,ZINC000003873315,,,,,3000541,CCOC1=C(F)C(CCNC(=S)NC2=NC=C(Cl)C=C2)=NC=C1,"InChI=1S/C15H16ClFN4OS/c1-2-22-12-6-8-18-11(14(12)17)5-7-19-15(23)21-13-4-3-10(16)9-20-13/h3-4,6,8-9H,2,5,7H2,1H3,(H2,19,20,21,23)",VEBKSFPYWMOUBR-UHFFFAOYSA-N
DB07798,,"(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",experimental,,,,,,FTS,,ZINC000013581899,CHEMBL177101,50163108,,,11349402,[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)NCCC(F)(F)F,"InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1",BBUDQLKRZPRPFD-LLVKDONJSA-N
DB07800,,N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE,experimental,,,,,,FXA,,ZINC000024974122,CHEMBL402761,50377653,,,24794406,ClC1=CN=C(NS(=O)(=O)C2=C(NC(=O)C3=CC=C(C=C3)N3C=CC=CC3=O)C=CC=C2)C=C1,"InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30)",MIJGLXFQYBTIFY-UHFFFAOYSA-N
DB07801,,N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide,experimental,,,,,,FXG,,ZINC000040933824,CHEMBL521105,50251960,,,24893974,CCCCNC(=O)C1=CC=CC(NC(=O)CCCCCNC2=C3N=CNC3=NC=N2)=C1,"InChI=1S/C22H29N7O2/c1-2-3-11-24-22(31)16-8-7-9-17(13-16)29-18(30)10-5-4-6-12-23-20-19-21(26-14-25-19)28-15-27-20/h7-9,13-15H,2-6,10-12H2,1H3,(H,24,31)(H,29,30)(H2,23,25,26,27,28)",WOYITRCGMUXUDE-UHFFFAOYSA-N
DB07802,,"3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE",experimental,,,,,,G12,,ZINC000000264281,CHEMBL273101,50508989,,109100,5795340,CC1=C(Br)C(=O)OC2=C(Br)C(O)=CC=C12,"InChI=1S/C10H6Br2O3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3",MSOLROYRAHCJNK-UHFFFAOYSA-N
DB07803,77498-98-7,2-phenyl-1H-imidazole-4-carboxylic acid,experimental,,,,,,G14,,ZINC000000164985,CHEMBL1232889,50329857,,,2738139,OC(=O)C1=CNC(=N1)C1=CC=CC=C1,"InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)",XCAXKZJNJCKTQH-UHFFFAOYSA-N
DB07804,,"5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE",experimental,,,,,,G15,,ZINC000016052224,CHEMBL220513,17655,,,16040261,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=NNC(=N2)C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,"InChI=1S/C17H21ClN6O5S2/c1-10(15(25)23-6-8-29-9-7-23)24-5-4-11(16(24)26)22-31(27,28)17-19-14(20-21-17)12-2-3-13(18)30-12/h2-3,10-11,22H,4-9H2,1H3,(H,19,20,21)/t10-,11-/m0/s1",FKCQUVAGEOSYRU-QWRGUYRKSA-N
DB07805,,"3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE",experimental,,,,,,G1L,,ZINC000003104468,CHEMBL463588,,,,3783853,CC(C)(CCl)C(=O)NC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C12H13ClF3NO/c1-11(2,7-13)10(18)17-9-5-3-8(4-6-9)12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18)",QCQZFHOGRCQNIH-UHFFFAOYSA-N
DB07806,,"(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID",experimental,,,,,,G23,,ZINC000003809861,,,,42719,446136,[H][C@@](NC(=O)CC1=CC=CC=C1)(C(=O)NCC1=CC=CC=C1)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1,"InChI=1S/C23H27N3O4S/c1-23(2)19(22(29)30)26-21(31-23)18(20(28)24-14-16-11-7-4-8-12-16)25-17(27)13-15-9-5-3-6-10-15/h3-12,18-19,21,26H,13-14H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18-,19+,21-/m1/s1",UDMBRVGTYILYDX-SVFBPWRDSA-N
DB07807,,"(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL",experimental,,,,,,G27,,ZINC000024805808,CHEMBL213661,50194702,,,9860102,[H][C@@]1(O)CN(CCCC2=CC=CC=C2)C[C@]([H])(CO)[C@@]1([H])O,"InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1",NKARZGURZMIRMA-RBSFLKMASA-N
DB07808,,"(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid",experimental,,,,,,G30,,ZINC000004105014,CHEMBL1213403,,,,7100107,[H][C@@]1(C[C@@]1([H])C(=O)NC1=CC(F)=CC=C1F)C(O)=O,"InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1",QTWGHTBKFVANGX-RQJHMYQMSA-N
DB07809,,4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE,experimental,,,,,,G44,,ZINC000013165430,,,,,17758361,CC1=CC=CC(=C1)C(=O)C1=CC=NC(NCC2=CC=C(C=C2)C(N)=N)=C1,"InChI=1S/C21H20N4O/c1-14-3-2-4-17(11-14)20(26)18-9-10-24-19(12-18)25-13-15-5-7-16(8-6-15)21(22)23/h2-12H,13H2,1H3,(H3,22,23)(H,24,25)",MBJYEMUMDMGQQC-UHFFFAOYSA-N
DB07810,60-82-2,Phloretin,experimental,,,,1368167,,G50,,ZINC000000047553,CHEMBL45068,23446,,17276,4788,OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",VGEREEWJJVICBM-UHFFFAOYSA-N
DB07811,,"N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide",experimental,,,,,,G6A,,ZINC000033969098,CHEMBL522579,50265033,,90544,10089048,CC1=NN=C(O1)C1=CC=C(C(C)=C1)C1=CC(=CC=C1C)C(=O)NC1CC1,"InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)",UBVTVSINEVHYSY-UHFFFAOYSA-N
DB07812,,"N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide",experimental,,,,,,G95,,ZINC000039187982,,,,,24963048,[H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1,"InChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)24-20(25)18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25)/t16-/m1/s1",TWYNGDRSMHRPSY-MRXNPFEDSA-N
DB07813,,GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE,experimental,,,,,,GA0,,ZINC000053683227,,,,,46937094,[H][C@@](C)(NC(=O)CN)C(=O)N1CCC[C@@]1([H])C(=O)NC1=CC=C2C=CC=CC2=C1,"InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1",KCELZXZDIUJGNM-GUYCJALGSA-N
DB07814,77-06-5,Gibberellic acid,experimental,,,,,,GA3,,ZINC000003860467,CHEMBL1232952,,,28833,6466,[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O,"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",IXORZMNAPKEEDV-OBDJNFEBSA-N
DB07815,468-44-0,Gibberellin A4,experimental,,,,,,GA4,,ZINC000004102247,,,,32902,92109,[H][C@@]12C[C@]3(CC1=C)[C@@H](C(O)=O)[C@]1([H])[C@@]4(C)[C@@H](O)CC[C@@]1(OC4=O)[C@]3([H])CC2,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1",RSQSQJNRHICNNH-NFMPGMCNSA-N
DB07816,,N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID,experimental,,,,,,GAS,,,CHEMBL170077,,,385425,4447,OC(=O)C\N=C(\NC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=C(C=C1)C#N,"InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)",KGHMYJFHUHFOGL-UHFFFAOYSA-N
DB07817,,"1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea",experimental,,,,,,GAX,,ZINC000016052530,,231665,,,12087505,O=C(NC1=NC=CS1)NC1=CC(=CC=C1)S(=O)(=O)N1CCN(CC1)C1=CC=CC=N1,"InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26)",NJPVZSIGDRLLTD-UHFFFAOYSA-N
DB07818,,"(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE",experimental,,,,,,GB4,,,CHEMBL237370,23274,,,11708451,ONC(=O)\C=C\C1=CC=C(Cl)C=C1Cl,"InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+",LHTLDFWBUPYUDR-DUXPYHPUSA-N
DB07819,,(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE,experimental,,,,,,GB5,,ZINC000012583773,CHEMBL1232971,23295,,,11694089,ONC(=O)\C=C\C1=CC=C(Cl)C=C1,"InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+",YPYUWBDOEMPXSK-ZZXKWVIFSA-N
DB07820,,"6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL",experimental,,,,,,GCA,,ZINC000002008220,CHEMBL319139,50032238,,42702,3457,CCOCN1C(=O)NC(=O)C(C(C)C)=C1CC1=CC(C)=CC(C)=C1,"InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)",NVGVZWUORYLPAL-UHFFFAOYSA-N
DB07821,,"(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate",experimental,,,,,,GD7,,ZINC000038494900,,,,,46937095,[H][C@](C)(O[P@]([H])(C)=O)C(C)(C)C,"InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1",QZUGWOMGKDLYKO-ZCFIWIBFSA-N
DB07823,,"(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid",experimental,,,,,,GF1,,ZINC000002317458,,,,,1933963,[H][C@@](C)(N1C(=O)[C@@]2([H])[C@@]3([H])CC[C@]([H])(C3)[C@@]2([H])C1=O)C(O)=O,"InChI=1S/C12H15NO4/c1-5(12(16)17)13-10(14)8-6-2-3-7(4-6)9(8)11(13)15/h5-9H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,8-,9+/m0/s1",REFMTLIXGKZVDF-VRGHQRLXSA-N
DB07824,,"4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one",experimental,,,,,,GF4,,ZINC000004784270,CHEMBL1213368,,,,5305969,CCC1=C(C)NN(C1=O)C1=NN=NN1,"InChI=1S/C7H10N6O/c1-3-5-4(2)10-13(6(5)14)7-8-11-12-9-7/h10H,3H2,1-2H3,(H,8,9,11,12)",WAVWUEFMWJZZFB-UHFFFAOYSA-N
DB07825,,(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid,experimental,,,,,,GF7,,ZINC000003260002,,,,,2376771,[H][C@]1(CN(C(=O)C1)C1=CC=C(C=C1)C(C)=O)C(O)=O,"InChI=1S/C13H13NO4/c1-8(15)9-2-4-11(5-3-9)14-7-10(13(17)18)6-12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)/t10-/m0/s1",SQGYWRZISBCKMW-JTQLQIEISA-N
DB07826,,2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide,experimental,,,,,,GFA,,,CHEMBL296939,50470136,,,465669,ClC1=CC=C(OCC(=O)NC2=CC=CC=C2)C(=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C21H16ClNO3/c22-16-11-12-19(18(13-16)21(25)15-7-3-1-4-8-15)26-14-20(24)23-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24)",DTGVSZSMDOMAEB-UHFFFAOYSA-N
DB07827,,"4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID",experimental,,,,,,GG1,,ZINC000003815953,CHEMBL496942,50265079,,,10224181,CN1C(=O)N(CC2=CC=C(C=C2)C(O)=O)C(=O)C2=C1C=CC(=C2)C#CCC1=CC=CC=C1,"InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)",FLTYDFYSVZBKOB-UHFFFAOYSA-N
DB07829,,4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE,experimental,,,,,,GG5,,ZINC000016052350,CHEMBL1233024,19429,,,12106168,FC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1,"InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)",BILJSHVAAVZERY-UHFFFAOYSA-N
DB07830,,"(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE",experimental,,,,,,GGO,,ZINC000014958799,CHEMBL225210,15510,,,16040279,[H][C@]1(N)CN(CCC2=CC=C3OCOC3=C2)C(=O)C[C@]1([H])C1=CC(F)=C(F)C=C1F,"InChI=1S/C20H19F3N2O3/c21-14-8-16(23)15(22)6-12(14)13-7-20(26)25(9-17(13)24)4-3-11-1-2-18-19(5-11)28-10-27-18/h1-2,5-6,8,13,17H,3-4,7,9-10,24H2/t13-,17+/m1/s1",DIRIFWIKLRTNMB-DYVFJYSZSA-N
DB07831,,"2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE",experimental,,,,,,GIN,,ZINC000016052157,,,,,10477723,CCCC1=CC=C(NC(=O)C2=CC=CC=C2NCC2=CNC(=O)C=C2)C=C1C(F)(F)F,"InChI=1S/C23H22F3N3O2/c1-2-5-16-9-10-17(12-19(16)23(24,25)26)29-22(31)18-6-3-4-7-20(18)27-13-15-8-11-21(30)28-14-15/h3-4,6-12,14,27H,2,5,13H2,1H3,(H,28,30)(H,29,31)",SHSORWZDEKFFLP-UHFFFAOYSA-N
DB07832,,"4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde",experimental,,,,,,GK1,,ZINC000016052770,CHEMBL237127,25191,,,23644582,CC1=C(NC2=CC=NC3=CC(=CC=C23)C2=CSC(C=O)=N2)C=C(O)C=C1,"InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)",VKQPTVJDZIILPG-UHFFFAOYSA-N
DB07833,,"N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide",experimental,,,,,,GK3,,ZINC000029130381,CHEMBL270164,25980,,49627,10200651,CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)C#N,"InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)",PMMLSQFPBFKLHH-UHFFFAOYSA-N
DB07834,,"N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide",experimental,,,,,,GK4,,ZINC000016052768,CHEMBL273158,25981,,,21078798,CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NCC1CC1,"InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)",FOHZGCHKLPIBBX-UHFFFAOYSA-N
DB07835,,"N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide",experimental,,,,,,GK5,,ZINC000003961852,CHEMBL478649,50263093,,90527,24856363,CC1=CC=C(C=C1C1=CC=C(C=C1)C(=O)NCC1CC1)C(=O)NC1CC1,"InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)",BOPSUAHGQHFKGG-UHFFFAOYSA-N
DB07836,,1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL,experimental,,,,,,GLE,,ZINC000015529503,,,,,46937097,[H][C@](COCCCCCCCCCC)(COCC(F)(F)F)O[P@](O)(=O)OC,"InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1",YBCDZAGHRGXDRX-HNNXBMFYSA-N
DB07837,,"[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid",experimental,,,,,,GMG,,ZINC000043016385,CHEMBL549906,50296004,,,11952989,OC(=O)CC1=CC=C(C=C1)C1=CNC2=NC=C(C=C12)C1=CC=C2C=CC=CC2=C1,"InChI=1S/C25H18N2O2/c28-24(29)11-16-5-7-18(8-6-16)23-15-27-25-22(23)13-21(14-26-25)20-10-9-17-3-1-2-4-19(17)12-20/h1-10,12-15H,11H2,(H,26,27)(H,28,29)",SWXKLXXVFMYMDP-UHFFFAOYSA-N
DB07838,,(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE,experimental,,,,,,GN8,,ZINC000016479722,,,,,5726921,OC1=C(\C=C2/SC(=S)N(CC3=CC=CC=C3)C2=O)C=CC=C1[N+]([O-])=O,"InChI=1S/C17H12N2O4S2/c20-15-12(7-4-8-13(15)19(22)23)9-14-16(21)18(17(24)25-14)10-11-5-2-1-3-6-11/h1-9,20H,10H2/b14-9-",ZTWBCEZQPRYIGY-ZROIWOOFSA-N
DB07839,,"N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE",experimental,,,,,,GNF,,ZINC000006718425,CHEMBL204785,19614,,,6420159,[H][C@@](CC1CCCCC1)(NC1=NC2=CC=CC=C2O1)C(=O)NCCNC1=CC=C(OC)C=C1,"InChI=1S/C25H32N4O3/c1-31-20-13-11-19(12-14-20)26-15-16-27-24(30)22(17-18-7-3-2-4-8-18)29-25-28-21-9-5-6-10-23(21)32-25/h5-6,9-14,18,22,26H,2-4,7-8,15-17H2,1H3,(H,27,30)(H,28,29)/t22-/m0/s1",VFNWTXUFNNOQHD-QFIPXVFZSA-N
DB07840,,"(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol",experimental,,,,,,GQL,,ZINC000038224563,,,,,11674979,COC1=CC=CC(=C1)C(=O)C1=CNC2=NC=CC(=C12)C1=CC(F)=CC(F)=C1,"InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11H,1H3,(H,24,25)",MCTZMJQJFCGZBX-UHFFFAOYSA-N
DB07841,,Geranylgeranyl diphosphate,experimental,,,,,,BUE,,,,,,15831,735,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O,"InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)",OINNEUNVOZHBOX-UHFFFAOYSA-N
DB07842,,(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid,experimental,,,,,,GRR,,ZINC000013671697,CHEMBL191060,50171895,,,11149906,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(CC)C=C1)C(O)=O,"InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1",CJMVTSLLWMPEKQ-INIZCTEOSA-N
DB07843,,5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE,experimental,,,,,,GS5,,ZINC000014950088,CHEMBL220529,12546,,,9549259,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1,"InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-11-13-10-14(20)2-3-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1",LTJNKFUIOOJXNJ-WFASDCNBSA-N
DB07844,,6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE,experimental,,,,,,GS6,,ZINC000014950092,CHEMBL217914,12547,,,9549258,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C1=O)C(=O)N1CCOCC1,"InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-10-13-2-3-14(20)11-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1",PHLKBODTBJLXRD-WFASDCNBSA-N
DB07845,,"2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide",experimental,,,,,,GS7,,ZINC000039193784,,,,,25113171,COC1=C(NC2=NC3=C(C=CN3)C(NC3=CC=CC(F)=C3C(N)=O)=N2)C=CC(CS(C)(=O)=O)=C1,"InChI=1S/C22H21FN6O4S/c1-33-17-10-12(11-34(2,31)32)6-7-15(17)27-22-28-20-13(8-9-25-20)21(29-22)26-16-5-3-4-14(23)18(16)19(24)30/h3-10H,11H2,1-2H3,(H2,24,30)(H3,25,26,27,28,29)",VGYXXQRDIVRILX-UHFFFAOYSA-N
DB07846,,"(3,4,8b-Trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl) N-(2-ethylphenyl)carbamate",experimental,,,,,,GSG,,,,,,,74077203,CCC1=CC=CC=C1NC(=O)OC1=CC2=C(C=C1)N(C)C1C2(C)CC[N+]1(C)[O-],"InChI=1S/C22H27N3O3/c1-5-15-8-6-7-9-18(15)23-21(26)28-16-10-11-19-17(14-16)22(2)12-13-25(4,27)20(22)24(19)3/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)",MVHRCJQCKYPDRL-UHFFFAOYSA-N
DB07847,,6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE,experimental,,,,,,GSK,,ZINC000014950061,CHEMBL385587,12538,,,6852168,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1=O)C(=O)N1CCOCC1,"InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1",ICLOZQFWTRAYPX-LIRRHRJNSA-N
DB07848,,5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide,experimental,,,,,,GSQ,,ZINC000014950104,CHEMBL375112,12550,,,9549257,C[C@H](N1CC[C@H](NS(=O)(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1,"InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1",BHNMMFGOJRIAEZ-LRDDRELGSA-N
DB07849,,S-NONYL-CYSTEINE,experimental,,,,,,GT9,,,,,,,46937099,[H][C@](N)(CSCCCCCCCCC)C(O)=O,"InChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-16-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m0/s1",NYQGIUKEPYHDNY-NSHDSACASA-N
DB07850,,"(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid",experimental,,,,,,GTC,,ZINC000005816947,,,,,976666,[H][C@]1(CCCC[C@]1([H])C1=NNC(=S)N1)C(O)=O,"InChI=1S/C9H13N3O2S/c13-8(14)6-4-2-1-3-5(6)7-10-9(15)12-11-7/h5-6H,1-4H2,(H,13,14)(H2,10,11,12,15)/t5-,6+/m0/s1",DYLXWYPNDHPRPQ-NTSWFWBYSA-N
DB07851,,"(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE",experimental,,,,,,GVB,,ZINC000035942375,,,,,24798721,[H][C@]1(N)CCN(C[C@@]1([H])C1=CC(C)=CC=C1)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3/t17-,18-/m0/s1",DQJXBZGPJVSWFI-ROUUACIJSA-N
DB07852,,"1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID",experimental,,,,,,GVC,,ZINC000000168598,,,,,2763754,CC1=NC(=NN1C1=CC(Cl)=CC(Cl)=C1)C(O)=O,"InChI=1S/C10H7Cl2N3O2/c1-5-13-9(10(16)17)14-15(5)8-3-6(11)2-7(12)4-8/h2-4H,1H3,(H,16,17)",CZTNDZALWLHXBA-UHFFFAOYSA-N
DB07853,,"2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile",experimental,,,,,,GVD,,,,,,,,N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1,"InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-",AWMNWCNUTIFHRJ-JLPGSUDCSA-N
DB07854,,N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE,experimental,,,,,,GVI,,ZINC000016052553,CHEMBL376388,16224,,,11608401,CNCC1=CC=C(C=C1)C1=NC=NC2=C1N=CN2,"InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)",VRGSDHJXBVCQEL-UHFFFAOYSA-N
DB07855,,(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE,experimental,,,,,,GVJ,,ZINC000014961021,,,,,16122632,[H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1,"InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)/t15-/m0/s1",CWHMAWBXRCDOEB-HNNXBMFYSA-N
DB07856,,6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE,experimental,,,,,,GVK,,ZINC000014961053,CHEMBL228133,16232,,,16122633,ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1,"InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)",HPWBHQIUIBFTQC-UHFFFAOYSA-N
DB07857,,(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine,experimental,,,,,,GVN,,ZINC000014960996,CHEMBL227924,16220,,,15602983,NC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1,"InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m1/s1",HWVGILTYGZFGLR-QGZVFWFLSA-N
DB07858,,(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine,experimental,,,,,,GVO,,ZINC000014960999,CHEMBL223339,16221,,,15602982,NC[C@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1,"InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1",HWVGILTYGZFGLR-KRWDZBQOSA-N
DB07859,,4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE,experimental,,,,,,GVP,,ZINC000014961002,CHEMBL428462,16219,,82708,11175137,ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1,"InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)",LZMOSYUFVYJEPY-UHFFFAOYSA-N
DB07860,,(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE,experimental,,,,,,GVQ,,ZINC000002576552,,,,,16122635,[H][C@@](CN)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1",PNKKPFLBOWGVSF-CQSZACIVSA-N
DB07861,,(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide,experimental,,,,,,GVR,,ZINC000000594749,CHEMBL261713,50478376,,,9823454,[H][C@](CC1=CC2=C(C=CC=C2)C=C1)(NS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1)C(=O)NO,"InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1",MMOUXLMPQFMDRD-JOCHJYFZSA-N
DB07862,,"7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE",experimental,,,,,,GW3,,ZINC000000015885,CHEMBL318721,18043,,,1881,CCC(CC)N1C=CC2=C1C=CC1=C2C(N)=NC(N)=N1,"InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)",GCPJCLJGTVTGRF-UHFFFAOYSA-N
DB07863,,2-chloro-5-nitro-N-phenylbenzamide,experimental,,,,,,GW9,,ZINC000000039173,CHEMBL375270,55936,,79993,644213,[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1,"InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)",DNTSIBUQMRRYIU-UHFFFAOYSA-N
DB07864,,4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE,experimental,,,,,,GWB,,ZINC000000027029,CHEMBL365845,,,,448725,CC(C)C1=C(OC#CC2CC2)C2=CC(F)=CC=C2NC1=O,"InChI=1S/C17H16FNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20)",YVJFHKQYMKKIHK-UHFFFAOYSA-N
DB07865,,3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one,experimental,,,,,,GZ2,,ZINC000004401406,CHEMBL1213369,,,,1503946,O=C1CCCC(NC2=NN=NN2)=C1,"InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12)",REZXFQGPXQJVJG-UHFFFAOYSA-N
DB07866,,"(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one",experimental,,,,,,H11,,ZINC000014978727,,,,,135566419,CCC[C@]1(C)SC(NC2CCCCCCC2)=NC1=O,"InChI=1S/C15H26N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1",SBTHYUAUBLEDJY-HNNXBMFYSA-N
DB07867,,6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE,experimental,,,,,,H12,,,CHEMBL187718,12078,,,448724,CCCC1=C(OC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O,"InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)",BNZHKKGOSYAQSW-UHFFFAOYSA-N
DB07868,,6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE,experimental,,,,,,H16,,ZINC000003648747,CHEMBL191146,12080,,,448727,CCCC1=C(SC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O,"InChI=1S/C18H22ClNOS/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)",CLKFNGKDJYMUPK-UHFFFAOYSA-N
DB07869,,6-Chloro-4-[(R)-cyclohexylsulfinyl]-3-propyl-2(1H)-quinolinone,experimental,,,,,,H18,,ZINC000013585216,,,,,9600414,[H]N1C(=O)C(CCC)=C(C2=C1C=CC(Cl)=C2)[S@](=O)C1CCCCC1,"InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)/t23-/m1/s1",QRBUGQMJMFAHKS-HSZRJFAPSA-N
DB07870,95977-29-0,Haloxyfop-P,experimental,,,,,,H1L,,ZINC000000902175,CHEMBL1233202,,,47454,448979,C[C@@H](OC1=CC=C(OC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1)C(O)=O,"InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1",GOCUAJYOYBLQRH-MRVPVSSYSA-N
DB07871,,6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE,experimental,,,,,,H20,,ZINC000018518455,CHEMBL190170,12079,,,448729,CC(C)C1=C(OC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O,"InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)",OQCFORGSZJSAEL-UHFFFAOYSA-N
DB07872,,5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide,experimental,,,,,,H22,,ZINC000043019461,CHEMBL557915,50295585,,,42628060,[H][C@]1(CCN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C1)NC(=O)C1=CC=C(Cl)S1,"InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m1/s1",IYGIXVNAMZPBDK-CQSZACIVSA-N
DB07873,16610-63-2,Lauryl alcohol diphosphonic acid,experimental,,,,,,H23,,,CHEMBL416301,25285,,,4395717,CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)",KKVZONPEMODBBG-UHFFFAOYSA-N
DB07874,,"(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one",experimental,,,,,,H24,,ZINC000011536246,CHEMBL1233206,50392843,,,17749735,COC1=CC(=CC=C1)C1=CC(=CC=C1)[C@]1(C)CC(=O)N(C)C(N)=N1,"InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1",LQOCXPOKEPYGTJ-IBGZPJMESA-N
DB07875,,"5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide",experimental,,,,,,H25,,ZINC000038995983,CHEMBL561318,50295587,,,11979006,[H][C@]1(O)CN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1,"InChI=1S/C22H20ClFN4O4S/c23-19-7-6-18(33-19)22(32)26-16-10-27(11-17(16)29)12-20(30)25-15-5-4-13(9-14(15)24)28-8-2-1-3-21(28)31/h1-9,16-17,29H,10-12H2,(H,25,30)(H,26,32)/t16-,17-/m0/s1",ARAVOODWJJJNBY-IRXDYDNUSA-N
DB07876,,(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE,experimental,,,,,,H52,,ZINC000000022706,CHEMBL406821,14028,,88220,448043,[H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1,"InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1",AWDORCFLUJZUQS-ZDUSSCGKSA-N
DB07877,,"8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE",experimental,,,,,,H64,,ZINC000013679215,CHEMBL383189,50180306,,,6914564,CC(C)NCCCN1C(SC2=C(Br)C=C3OCOC3=C2)=NC2=C1N=CN=C2N,"InChI=1S/C18H21BrN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)",MWGWLDJLENCVRQ-UHFFFAOYSA-N
DB07878,,"N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE",experimental,,,,,,H7J,,ZINC000016052155,,,,,46937102,C\C=C\C[C@]([H])(C(C)=O)N1N=NC(=C1)[C@](C)(C(C)C)NC(=O)C1=CC=CC=C1,"InChI=1S/C21H28N4O2/c1-6-7-13-18(16(4)26)25-14-19(23-24-25)21(5,15(2)3)22-20(27)17-11-9-8-10-12-17/h6-12,14-15,18H,13H2,1-5H3,(H,22,27)/b7-6+/t18-,21+/m1/s1",OEHUTYXPQSSKAK-RVLLMHTFSA-N
DB07879,,"N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide",experimental,,,,,,HA3,,ZINC000016052633,,,,,24836811,ONC(=O)C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1,"InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23)",SMSIXMLQOONOQQ-UHFFFAOYSA-N
DB07880,,2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID,experimental,,,,,,HAB,,ZINC000003861151,,,,64341,,OC(=O)C1=CC=CC=C1\N=N\C1=CC=C(O)C=C1,"InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+",DWQOTEPNRWVUDA-CCEZHUSRSA-N
DB07881,,N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE,experimental,,,,,,HAL,,ZINC000015682442,,,,43081,447154,[H][C@](CC1=CC=CC=C1)(NC(=O)CCCC(O)=O)[P@](O)(=O)OCC(=O)NCCC1=CC=CC=C1,"InChI=1S/C23H29N2O7P/c26-20(12-7-13-23(28)29)25-22(16-19-10-5-2-6-11-19)33(30,31)32-17-21(27)24-15-14-18-8-3-1-4-9-18/h1-6,8-11,22H,7,12-17H2,(H,24,27)(H,25,26)(H,28,29)(H,30,31)/t22-/m0/s1",DKQZZKSBRCTCQU-QFIPXVFZSA-N
DB07882,,"4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID",experimental,,,,,,HAZ,,ZINC000261527199,,,,,5288514,[H][C@@]12O[C@]1(C)CC[C@]1([H])[C@]2(C)CCC[N@+]1([O-])CC(=O)NC1=CC=C(NC(=O)CCCC(O)=O)C=C1,"InChI=1S/C24H33N3O6/c1-23-12-4-14-27(32,18(23)11-13-24(2)22(23)33-24)15-20(29)26-17-9-7-16(8-10-17)25-19(28)5-3-6-21(30)31/h7-10,18,22H,3-6,11-15H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)/t18-,22+,23+,24-,27+/m1/s1",VFIZFTGABDUGCF-UPVHCHBVSA-N
DB07883,,(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE,experimental,,,,,,HBC,,ZINC000006581971,,,,71545,446476,[H][C@]12CC[C@]([H])(C1)[C@](N)(C(=O)C1=CC=CC=C1)[C@]2([H])C1=CC=CC=C1,"InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1",XJQDTOANLAPEIM-JRBPQWBISA-N
DB07884,178040-94-3,Opaviraline,experimental,,,,,,HBQ,,ZINC000003916138,CHEMBL301370,2955,,,154048,CC[C@@H]1N(C(=O)OC(C)C)C2=C(NC1=O)C=CC(F)=C2,"InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1",KELNNWMENBUHNS-NSHDSACASA-N
DB07885,163451-80-7,Talviraline,investigational,,,,,,HBY,,ZINC000003870431,CHEMBL430488,2737,HBY-097,,3000493,[H][C@@]1(CSC)N(C(=O)OC(C)C)C2=C(NC1=S)C=CC(OC)=C2,"InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1",GWKIPRVERALPRD-ZDUSSCGKSA-N
DB07887,,"(R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine",experimental,,,,,,HDB,,ZINC000169748505,,,,,6857719,[H]N([H])C(=NCC1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H],"InChI=1S/C11H16BN3O3/c13-11(14)15-5-8-1-3-9(4-2-8)12-17-7-10(6-16)18-12/h1-4,10,16H,5-7H2,(H4,13,14,15)/t10-/m1/s1",IIZOWFNBOXPJES-SNVBAGLBSA-N
DB07888,,"3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER",experimental,,,,,,HDI,,ZINC000100036051,CHEMBL211769,50186434,,,5288525,[H][C@]1(CC(=O)OC)CC(=NO1)C1=CC=C(O)C=C1,"InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3/t10-/m1/s1",AIXMJTYHQHQJLU-SNVBAGLBSA-N
DB07889,,"(2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol",experimental,,,,,,HDY,,ZINC000002047516,,,,,447653,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)C1=C(C)N=C2C=CC=CN12,"InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)/t18-/m0/s1",VCPXSBULBDYRLT-SFHVURJKSA-N
DB07890,,4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID,experimental,,,,,,HE1,,,CHEMBL77996,,,,444721,OC1=C(SCC\C=C\P(O)(O)=O)C=CC=C1,"InChI=1S/C10H13O4PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-3,5-7,11H,4,8H2,(H2,12,13,14)/b7-3+",GHNIEXOPSISMGX-XVNBXDOJSA-N
DB07891,7698-93-3,Estradiol hemisuccinate,experimental,,,,,,HE7,,ZINC000004026838,CHEMBL1233274,,,,66440,[H][C@@]12CC[C@H](OC(=O)CCC(O)=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H],"InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1",YJPIDPAGJSWWBE-FNIAAEIWSA-N
DB07892,,1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE,experimental,,,,,,HEF,,ZINC000006143164,CHEMBL31871,50004152,,43060,64993,CC1=C(SC2=CC=CC=C2)N(COCCO)C(=O)NC1=O,"InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)",HDMHBHNRWDNNCD-UHFFFAOYSA-N
DB07893,,PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE,experimental,,,,,,HEP,,ZINC000003874662,,,,43012,444107,[H][C@@](CCCC)(NC(=O)CCC(O)=O)[P@](O)(=O)OC1=CC=CC=C1,"InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1",FJQWWGCHPFSERW-CQSZACIVSA-N
DB07894,,4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID,experimental,,,,,,HF1,,ZINC000003870978,,,,,5288544,OC1=CC=C(F)C=C1SCC\C=C\P(O)(O)=O,"InChI=1S/C10H12FO4PS/c11-8-3-4-9(12)10(7-8)17-6-2-1-5-16(13,14)15/h1,3-5,7,12H,2,6H2,(H2,13,14,15)/b5-1+",UXOYJQMPYTYCMG-ORCRQEGFSA-N
DB07895,,ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID,experimental,,,,,,HFP,,ZINC000006762173,,,,,46937103,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)C[C@@]([H])(O)P(O)(O)=O,"InChI=1S/C15H33O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h12-16H,5-11H2,1-4H3,(H2,17,18,19)/t13-,14-,15+/m1/s1",IJNCEETVCWDDQB-KFWWJZLASA-N
DB07896,,(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid,experimental,,,,,,HHH,,ZINC000000388426,,,,32802,439940,[H][C@@](O)(C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1",YHXHKYRQLYQUIH-ZETCQYMHSA-N
DB07897,,1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE,experimental,,,,,,HHO,,ZINC000006620299,,,,,4634038,OCCCCCCCCNCO,"InChI=1S/C9H21NO2/c11-8-6-4-2-1-3-5-7-10-9-12/h10-12H,1-9H2",SJEVZMRZAJQYFZ-UHFFFAOYSA-N
DB07898,,"(2R)-3-[(tetrahydroxyphosphoranyl)oxy]-1,2-propanediyl dibutanoate",experimental,,,,,,HI5,,ZINC000033821357,,,,,5288553,[H][C@@](COC(=O)CCC)(COP(O)(O)(O)O)OC(=O)CCC,"InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1",YBSWGBVCGAZBHG-SECBINFHSA-N
DB07899,,(2S) N-acetyl-L-alanyl-αL-phenylalanyl-chloroethylketone,experimental,,,,,,HIN,,ZINC000008239025,,,,,46937104,[H][C@@](C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)CCCl,"InChI=1S/C16H21ClN2O3/c1-11(18-12(2)20)16(22)19-14(15(21)8-9-17)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,14-/m0/s1",WABWAIGLGFELMI-FZMZJTMJSA-N
DB07900,,3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE,experimental,,,,,,HLE,,ZINC000006706634,,,,,5288561,[H][C@@](O)(C(=O)NO)[C@@]([H])(CC(C)C)C=O,"InChI=1S/C8H15NO4/c1-5(2)3-6(4-10)7(11)8(12)9-13/h4-7,11,13H,3H2,1-2H3,(H,9,12)/t6-,7-/m0/s1",YVDHZNIQWHUORH-BQBZGAKWSA-N
DB07901,,5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE,experimental,,,,,,HM2,,ZINC000000108774,CHEMBL472879,50433375,,,2740174,CC1=C(Cl)C(NCCC2=CC=CC=C2)=NC(=N1)C1=NC=CC=C1,"InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)",HIUOABSWQSUEGK-UHFFFAOYSA-N
DB07902,,"TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE",experimental,,,,,,HM4,,ZINC000013521832,CHEMBL327579,17847,,,11809364,CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1,"InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)",QBMYJIFXSXKPFS-UHFFFAOYSA-N
DB07903,,"3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE",experimental,,,,,,HM5,,ZINC000013521848,CHEMBL316308,17849,,,11120251,CC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1,"InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)",CAVCWRXFMNCBCM-UHFFFAOYSA-N
DB07905,76958-67-3,Hypothemycin,experimental,,,,,,HMY,,ZINC000034034438,CHEMBL471474,50129131,,83275,9929643,[H]\C1=C([H])\C(=O)[C@@H](O)[C@@H](O)C[C@H]2O[C@@H]2C2=C(C(O)=CC(OC)=C2)C(=O)O[C@@H](C)C1,"InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15+,17+,18+/m0/s1",SSNQAUBBJYCSMY-KNTMUCJRSA-N
DB07906,,"[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL",experimental,,,,,,HNT,,ZINC000013797973,CHEMBL293700,50077541,,,10822243,[H][C@]1(CO)CC2=CC=C(C=C2CN1)[N+]([O-])=O,"InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1",RNUCRXHRBPLYTA-SECBINFHSA-N
DB07907,,(2S)-2-HYDROXYOCTANOIC ACID,experimental,,,,,,HOC,,ZINC000001731997,,,,,6995013,[H][C@](O)(CCCCCC)C(O)=O,"InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1",JKRDADVRIYVCCY-ZETCQYMHSA-N
DB07908,,7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN,experimental,,,,,,HOM,,ZINC000000332199,CHEMBL251935,,,,5288573,CC1=C(CCO)C(=O)OC2=CC(O)=CC=C12,"InChI=1S/C12H12O4/c1-7-9-3-2-8(14)6-11(9)16-12(15)10(7)4-5-13/h2-3,6,13-14H,4-5H2,1H3",VCGFYFKJZGIZMX-UHFFFAOYSA-N
DB07909,,"(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL",experimental,,,,,,HOP,,ZINC000006582201,,,,43278,444394,[H][C@]1(O)C[C@]([H])(CC[C@]1([H])C1=CC=C(C=C1)C(=O)NCCCC(O)=O)C1=CC=CC=C1,"InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1",OBWILOKKNDYPLX-HBMCJLEFSA-N
DB07910,,"(2S)-2-amino-3-phenylpropane-1,1-diol",experimental,,,,,,HPH,,ZINC000002046783,,,,,445494,[H][C@](N)(CC1=CC=CC=C1)C(O)O,"InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1",IFTWVTAUEXLCHB-QMMMGPOBSA-N
DB07911,,"(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE",experimental,,,,,,HPK,,,,,,,23615309,[O-]C(=O)C(=O)\C=C\CC(=O)C1=CC=CC=C1,"InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/p-1/b8-4+",QPGAZPBFRAAJBD-XBXARRHUSA-M
DB07912,,2-OXOHEPTYLPHOSPHONIC ACID,experimental,,,,,,HPO,,ZINC000024708839,,,,,4369424,CCCCCC(=O)CP(O)(O)=O,"InChI=1S/C7H15O4P/c1-2-3-4-5-7(8)6-12(9,10)11/h2-6H2,1H3,(H2,9,10,11)",ACMQFLCUSWMWKH-UHFFFAOYSA-N
DB07913,,HOMOPHENYLALANINYLMETHANE,experimental,,,,,,HPQ,,ZINC000044460088,,,,,46937105,[H][C@](N)(CCC1=CC=CC=C1)C(C)=O,"InChI=1S/C11H15NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1",ZDTWNRLBYDWRII-NSHDSACASA-N
DB07914,50480-67-6,"2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid",experimental,,,,,,HPX,,,,,,,,OC(=O)C(\O)=C\C=C\C(=O)C1=CC=CC=C1,"InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8-",RDRDHXDYMGUCKE-KXBBGWRGSA-N
DB07915,,"(2E,4E)-2-Hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid",experimental,,,,,,HPZ,,ZINC000100036081,,,,,,OC(=O)C(\O)=C/C=C/C(=O)C1=CC=CC=C1,"InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8+",RDRDHXDYMGUCKE-VCABWLAWSA-N
DB07916,,3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID,experimental,,,,,,HQC,,ZINC000016051414,,,,,5288581,[H][C@@](CC(O)=O)(NC(=O)[C@@]([H])(CCCCNC(=O)C1=NC2=C(C=CC=C2O)C=C1)C1=CC=CS1)C=O,"InChI=1S/C24H25N3O6S/c28-14-16(13-21(30)31)26-23(32)17(20-8-4-12-34-20)6-1-2-11-25-24(33)18-10-9-15-5-3-7-19(29)22(15)27-18/h3-5,7-10,12,14,16-17,29H,1-2,6,11,13H2,(H,25,33)(H,26,32)(H,30,31)/t16-,17-/m0/s1",QXMPYGCWDMKRMF-IRXDYDNUSA-N
DB07917,,4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE,experimental,,,,,,HQL,,ZINC000003810035,CHEMBL574003,50300128,,,6540277,C(CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1)CC1=NN=NN1,"InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)",TZQGXAHOROZEKN-UHFFFAOYSA-N
DB07918,341-88-8,2-heptyl-4-hydroxyquinoline N-oxide,experimental,,,,,,HQO,,ZINC000001529909,CHEMBL1233401,,,28362,,CCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1,"InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3",NZPACTGCRWDXCJ-UHFFFAOYSA-N
DB07919,442-51-3,Harmine,experimental,,,,,,HRM,,ZINC000018847046,CHEMBL269538,100152,HARMINE,28121,5280953,COC1=CC2=C(C=C1)C1=C(N2)C(C)=NC=C1,"InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3",BXNJHAXVSOCGBA-UHFFFAOYSA-N
DB07920,,N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide,experimental,,,,,,HS4,,ZINC000039715706,,,,,46937106,O=NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C14H12N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2",OGRPZMQLAVBWPV-UHFFFAOYSA-N
DB07921,,2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide,experimental,,,,,,HS6,,ZINC000039715708,,,,,46937107,FC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N=O,"InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2",ATANXIMWDMRRIO-UHFFFAOYSA-N
DB07922,,N-oxo-2-(phenylsulfonylamino)ethanamide,experimental,,,,,,HS7,,ZINC000039715795,,,,,46937108,O=NC(=O)CNS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2",LBEMJFIVKDOIBO-UHFFFAOYSA-N
DB07923,,octyl alpha-L-altropyranoside,experimental,,,,,,HSG,,,,,,,46937109,[H][C@]1(O)[C@@]([H])(O)[C@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O,"InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12-,13+,14+/m0/s1",HEGSGKPQLMEBJL-QSLWVIQJSA-N
DB07924,,octyl beta-D-galactopyranoside,experimental,,,,,,HSH,,ZINC000053683291,CHEMBL1222151,,,,9549264,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O,"InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14-/m1/s1",HEGSGKPQLMEBJL-MBJXGIAVSA-N
DB07925,,4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID,experimental,,,,,,HSP,,,,,,,9543426,OC1=CC=CC=C1[S@](=O)CCCCP(O)(O)=O,"InChI=1S/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m1/s1",FFIGWLBWBXCVHW-QGZVFWFLSA-N
DB07926,,N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE,experimental,,,,,,HTA,,,CHEMBL45483,50104969,,,128564,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=C(OC)C=C1)C(=O)NC,"InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1",QYZPDCGWIJYZMN-ZBFHGGJFSA-N
DB07927,,3-[(4-Carboxy-2-hydroxyphenyl)sulfamoyl]-2-thiophenecarboxylic acid,experimental,,,,,,HTC,,ZINC000003881294,CHEMBL1222313,50324682,,,657106,OC(=O)C1=C(C=CS1)S(=O)(=O)NC1=C(O)C=C(C=C1)C(O)=O,"InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)",RDPXXOOKKRIKFN-UHFFFAOYSA-N
DB07928,,N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE,experimental,,,,,,HTF,,ZINC000043617550,CHEMBL259352,50351508,,,6914579,[H][C@@]1(CCOC1=O)NC(=O)CCCCCCC,"InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1",JKEJEOJPJVRHMQ-JTQLQIEISA-N
DB07929,,"N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE",experimental,,,,,,HWG,,ZINC000006521894,CHEMBL254520,,,,448258,CC1=CC(=CC(C)=C1)C(=O)N(NC(=O)C1=C(C)C2=C(OCCO2)C=C1)C(C)(C)C,"InChI=1S/C23H28N2O4/c1-14-11-15(2)13-17(12-14)22(27)25(23(4,5)6)24-21(26)18-7-8-19-20(16(18)3)29-10-9-28-19/h7-8,11-13H,9-10H2,1-6H3,(H,24,26)",JGJACZABNQGPMT-UHFFFAOYSA-N
DB07930,,(3R)-3-HYDROXYDODECANOIC ACID,experimental,,,,,,HXD,,ZINC000016051927,CHEMBL1233457,,,43197,5312804,[H][C@@](O)(CCCCCCCCC)CC(O)=O,"InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1",MUCMKTPAZLSKTL-LLVKDONJSA-N
DB07931,84-16-2,Hexestrol,withdrawn,2998630,,,,,HXS,1368,ZINC000000056547,CHEMBL9225,50214281,,,192197,[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1,"InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+",PBBGSZCBWVPOOL-HDICACEKSA-N
DB07932,,"dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate",experimental,,,,,,HZ3,,ZINC000016052474,CHEMBL1213270,,,,11531308,[H][C@]12O[C@]([H])(C(C(=O)OC)=C1C(=O)OC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C22H18O7/c1-27-21(25)17-18(22(26)28-2)20-16(12-5-9-14(24)10-6-12)15(19(17)29-20)11-3-7-13(23)8-4-11/h3-10,19-20,23-24H,1-2H3/t19-,20+",CRLQCBACIMUGDZ-BGYRXZFFSA-N
DB07933,533884-09-2,Erteberel,"['experimental', 'investigational']",,,D09899,,,I0G,,ZINC000012353762,CHEMBL278703,19968,LY500307,,10286159,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1",XIESSJVMWNJCGZ-VKJFTORMSA-N
DB07934,,[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE,experimental,,,,,,I11,,,,,,,448953,[H][C@](CCNC1=CC=[NH+]C=C1)(NC(=O)CNS(=O)(=O)C1CCCCC1)C(=O)N1CCCCC1,"InChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28)/p+1/t20-/m1/s1",KMUXFASJKPVMGU-HXUWFJFHSA-O
DB07935,,"5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile",experimental,,,,,,I15,,ZINC000040915356,CHEMBL473119,27576,,,25218427,CC1=NNC2=C1C(OC1=CC(=CC(=C1)C#N)C#N)=C(F)C=C2,"InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)",JYAHFMKZJRVTDT-UHFFFAOYSA-N
DB07936,,N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine,experimental,,,,,,I19,,ZINC000035261946,CHEMBL460102,50245865,,,16113377,[H][C@@]1(CCN(C1)C(=O)C1=CC=C(NC2=NC(C3=CN=C(C)N3C(C)C)=C(F)C=N2)C=C1)N(C)C,"InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1",BACSZMCLZIDTIO-IBGZPJMESA-N
DB07937,,"2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine",experimental,,,,,,I24,,ZINC000040915626,CHEMBL515774,50263188,,,16744441,CCCCOC1=NC(NCCN2CCOCC2)=C2N=CN(CC3=C(F)C=CC=C3F)C2=N1,"InChI=1S/C22H28F2N6O2/c1-2-3-11-32-22-27-20(25-7-8-29-9-12-31-13-10-29)19-21(28-22)30(15-26-19)14-16-17(23)5-4-6-18(16)24/h4-6,15H,2-3,7-14H2,1H3,(H,25,27,28)",UGZWPZWADDDTRN-UHFFFAOYSA-N
DB07938,,(S)-iclaprim,experimental,,,,,,I2H,,ZINC000001486728,CHEMBL1673303,50336514,,131753,44141864,[H][C@]1(OC2=C(C=C1)C(CC1=CN=C(N)N=C1N)=CC(OC)=C2OC)C1CC1,"InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m1/s1",HWJPWWYTGBZDEG-CQSZACIVSA-N
DB07939,,N-(3-MERCAPTOPROPANOYL)-D-ALANINE,experimental,,,,,,I38,,,,,,,16750083,[H][C@](C)(NC(=O)CCS)C(O)=O,"InChI=1S/C6H11NO3S/c1-4(6(9)10)7-5(8)2-3-11/h4,11H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1",JIAFOCJABIEPNM-SCSAIBSYSA-N
DB07940,,"9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE",experimental,,,,,,I40,,ZINC000006583635,,,,,448167,IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1,"InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23)",ZUCWQTWGZGIYPV-UHFFFAOYSA-N
DB07941,586379-66-0,PH-797804,investigational,,,,,,I45,,ZINC000013980453,CHEMBL1088751,50314073,,82715,22049997,CNC(=O)C1=CC=C(C)C(=C1)N1C(C)=CC(OCC2=C(F)C=C(F)C=C2)=C(Br)C1=O,"InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)",KCAJXIDMCNPGHZ-UHFFFAOYSA-N
DB07942,,2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine,experimental,,,,,,I46,,ZINC000053683300,,,,,42647299,FC1=CC=C(C=C1)C1=CNN=C1C1=CC(F)=NC=C1,"InChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)",YJCHZVXSPFPKMX-UHFFFAOYSA-N
DB07943,271576-80-8,SD-0006,investigational,,,,,,I47,,ZINC000006718469,CHEMBL1090173,50315123,,82712,9865587,OCC(=O)N1CCC(CC1)C1=NNC(=C1C1=CC=NC=N1)C1=CC=C(Cl)C=C1,"InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)",CATQHDWESBRRQA-UHFFFAOYSA-N
DB07944,,N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE,experimental,,,,,,I48,,,,,,,448955,CC1=CC(OCCNC2=CC=[NH+]C=C2)=CC(NS(=O)(=O)C2=CC=CC=C2)=C1,"InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)/p+1",MPTWCWHNLVMCRW-UHFFFAOYSA-O
DB07945,,"5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid",experimental,,,,,,I4A,,ZINC000003961887,CHEMBL516023,50248245,,,9863791,NC(=O)C1=CC=CC(CN2C3=C(CCCCC3)C3=CC=CC(C(O)=O)=C23)=C1,"InChI=1S/C22H22N2O3/c23-21(25)15-7-4-6-14(12-15)13-24-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)24)22(26)27/h4-7,9-10,12H,1-3,8,11,13H2,(H2,23,25)(H,26,27)",GKBQRPKZHUFGOB-UHFFFAOYSA-N
DB07946,,"N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide",experimental,,,,,,I50,,ZINC000034241908,CHEMBL401842,50223072,,,10114365,[H]N([H])C(=NOCCN([H])C(=O)CC1=C(Cl)C=CC(N([H])CC(F)(F)C2=CC=CC=C2)=C1F)N([H])[H],"InChI=1S/C19H21ClF3N5O2/c20-14-6-7-15(27-11-19(22,23)12-4-2-1-3-5-12)17(21)13(14)10-16(29)26-8-9-30-28-18(24)25/h1-7,27H,8-11H2,(H,26,29)(H4,24,25,28)",DZEJHPMTDNDECN-UHFFFAOYSA-N
DB07947,,ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE,experimental,,,,,,I5S,,ZINC000003986659,CHEMBL227381,16222,,,5327109,ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1,"InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2",AUHWQSZMVMMRLM-UHFFFAOYSA-N
DB07949,,"({[(3E)-2'-Oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid",experimental,,,,,,IAA,,ZINC000095920659,,,,,11840955,OC(=O)CO\N=C1/C2=CC=CCC2=N/C/1=C1\C(=O)N=C2CC=CC=C12,"InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+",BFQRPTKOSYMPOL-LALPNIDTSA-N
DB07950,87-51-4,Indoleacetic acid,experimental,,,,,,IAC,,ZINC000000083860,CHEMBL82411,50201883,,16411,802,OC(=O)CC1=CNC2=CC=CC=C12,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",SEOVTRFCIGRIMH-UHFFFAOYSA-N
DB07951,2456-73-7,N-(indole-3-acetyl)-L-aspartic acid,experimental,,,,,,IAD,,ZINC000000056756,,,,21484,446620,OC(=O)C[C@H](NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1",VAFNMNRKDDAKRM-NSHDSACASA-N
DB07952,,N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID,experimental,,,,,,IAG,,ZINC000000057380,,,,90332,446640,OC(=O)CNC(=O)CC1=CNC2=C1C=CC=C2,"InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)",YDXXLJMIHMIOIF-UHFFFAOYSA-N
DB07953,,N-[1H-INDOL-3-YL-ACETYL]VALINE ACID,experimental,,,,,,IAV,,ZINC000000056772,,,,177043,446641,[H][C@](NC(=O)CC1=CNC2=CC=CC=C12)(C(C)C)C(O)=O,"InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1",AZEGJHGXTSUPPG-AWEZNQCLSA-N
DB07954,28822-58-4,3-isobutyl-1-methyl-7H-xanthine,experimental,,,,,,IBM,,ZINC000003861807,CHEMBL275084,15336,,34795,3758,CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O,"InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)",APIXJSLKIYYUKG-UHFFFAOYSA-N
DB07955,,(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE,experimental,,,,,,IBR,,ZINC000006815590,,,,,4634717,NC1=CC(C=O)=C(CC(=O)OCCBr)C=C1,"InChI=1S/C11H12BrNO3/c12-3-4-16-11(15)6-8-1-2-10(13)5-9(8)7-14/h1-2,5,7H,3-4,6,13H2",SMKXVWWBCFWRMP-UHFFFAOYSA-N
DB07956,,[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER,experimental,,,,,,ICL,,ZINC000006762808,,,,,5288602,[H][C@](NC(=O)OC(C)(C)C)(C(C)C)C(=O)NC1=CC=CC(Cl)=C1C=O,"InChI=1S/C17H23ClN2O4/c1-10(2)14(20-16(23)24-17(3,4)5)15(22)19-13-8-6-7-12(18)11(13)9-21/h6-10,14H,1-5H3,(H,19,22)(H,20,23)/t14-/m0/s1",GBHYPZDGTWSQFR-AWEZNQCLSA-N
DB07957,,METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE,experimental,,,,,,ICU,,ZINC000003580982,,,,,446501,[H][C@](OC(C)=O)(C(=O)OC)C1=CC=C(N)C=C1C(O)=O,"InChI=1S/C12H13NO6/c1-6(14)19-10(12(17)18-2)8-4-3-7(13)5-9(8)11(15)16/h3-5,10H,13H2,1-2H3,(H,15,16)/t10-/m1/s1",DWYLZBJDRMVVPU-SNVBAGLBSA-N
DB07958,,(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID,experimental,,,,,,IDA,,ZINC000002047480,,,,,447739,CCCC1=CC2=C(NC(CC(N)=O)=C2)C(CC(O)=O)=C1,"InChI=1S/C15H18N2O3/c1-2-3-9-4-10-6-12(8-13(16)18)17-15(10)11(5-9)7-14(19)20/h4-6,17H,2-3,7-8H2,1H3,(H2,16,18)(H,19,20)",OMLOGGCSARAIGZ-UHFFFAOYSA-N
DB07959,,3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE,experimental,,,,,,IDZ,,ZINC000014961821,CHEMBL383990,16590,,,135464491,N1N=C(C2=NC3=CC=CC=C3N2)C2=C1C=CC=C2,"InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)",JTKFRFMSUBOCIQ-UHFFFAOYSA-N
DB07960,,"5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID",experimental,,,,,,IEM,,ZINC000053683307,,,,,46937111,[H][C@]1(O)C=C(O[C@@]([H])(OCC(C)C)[C@]1([H])NC(C)=O)C(O)=O,"InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10+,12+/m0/s1",QDVFOADQCFRSSP-MKPLZMMCSA-N
DB07961,,"1-(4-Cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea",experimental,,,,,,IET,,ZINC000018430815,CHEMBL303457,,,,5482427,[H]N([H])C(\CC1=C(Cl)C=CC=C1Cl)=N/C(=S)N([H])C1=CC=C(C=C1)C#N,"InChI=1S/C16H12Cl2N4S/c17-13-2-1-3-14(18)12(13)8-15(20)22-16(23)21-11-6-4-10(9-19)5-7-11/h1-7H,8H2,(H3,20,21,22,23)",NWKJBFSBEAMDBE-UHFFFAOYSA-N
DB07962,,"METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE",experimental,,,,,,IFA,,ZINC000053683312,,,,,25150855,COC(=O)CCNC(=O)C1=C(O)C(I)=CC(=C1)C1=C(F)C=C(F)C=C1,"InChI=1S/C17H14F2INO4/c1-25-15(22)4-5-21-17(24)12-6-9(7-14(20)16(12)23)11-3-2-10(18)8-13(11)19/h2-3,6-8,23H,4-5H2,1H3,(H,21,24)",ZMRRBWRMQPQQAN-UHFFFAOYSA-N
DB07963,,"N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE",experimental,,,,,,IFB,,ZINC000053683317,,,,,25150856,OC(=O)CCNC(=O)C1=C(O)C(I)=CC(=C1)C1=C(F)C=C(F)C=C1,"InChI=1S/C16H12F2INO4/c17-9-1-2-10(12(18)7-9)8-5-11(15(23)13(19)6-8)16(24)20-4-3-14(21)22/h1-2,5-7,23H,3-4H2,(H,20,24)(H,21,22)",YZQVXOZCPWWABX-UHFFFAOYSA-N
DB07964,,"(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE",experimental,,,,,,IH6,,ZINC000003817227,CHEMBL207729,23498,,,5288615,[H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(=O)NO,"InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1",CVZIHNYAZLXRRS-HNNXBMFYSA-N
DB07965,,6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile,experimental,,,,,,IHE,,ZINC000022932245,CHEMBL363847,19746,,,5288616,CN1CCN(CCN2C=NC3=C(NC4CCCCC4)N=C(N=C23)C#N)CC1,"InChI=1S/C19H28N8/c1-25-7-9-26(10-8-25)11-12-27-14-21-17-18(22-15-5-3-2-4-6-15)23-16(13-20)24-19(17)27/h14-15H,2-12H2,1H3,(H,22,23,24)",OGODDSLNRULSMM-UHFFFAOYSA-N
DB07966,,[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile,experimental,,,,,,IHH,,ZINC000016052549,,,,,16040294,N#CCC1=CC=C(NC2=NC3=CC=CC=C3C(NC3=NNC(=C3)C3CC3)=N2)C=C1,"InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13,15H,7-8,11H2,(H3,24,25,26,27,28,29)",NVMCVWOODOWOLT-UHFFFAOYSA-N
DB07967,,9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE,experimental,,,,,,IHI,,ZINC000013584947,CHEMBL188865,50156086,,,11464526,N#CC1=NC2=C(N=CN2C2CCCC2)C(NC2=CC=CC=C2OCCCN2C=CN=C2)=N1,"InChI=1S/C23H24N8O/c24-14-20-28-22(21-23(29-20)31(16-26-21)17-6-1-2-7-17)27-18-8-3-4-9-19(18)32-13-5-11-30-12-10-25-15-30/h3-4,8-10,12,15-17H,1-2,5-7,11,13H2,(H,27,28,29)",JJNKDTWKWYLERH-UHFFFAOYSA-N
DB07968,,N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA,experimental,,,,,,IHU,,ZINC000013673951,CHEMBL198408,50174389,,,9547901,COC1=CC=C(O)C=C1NC(=O)NC(=O)C1=CC=C(F)C=C1Cl,"InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)",RFOBTYLRURSVJE-UHFFFAOYSA-N
DB07969,,3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol,experimental,,,,,,IHX,,ZINC000040873944,CHEMBL462712,50265838,,,25113181,CN1CCN(CC1)C1=NC2=C(C=C(C=C2N=C1)C(F)(F)F)C1=CC(O)=CC=C1,"InChI=1S/C20H19F3N4O/c1-26-5-7-27(8-6-26)18-12-24-17-11-14(20(21,22)23)10-16(19(17)25-18)13-3-2-4-15(28)9-13/h2-4,9-12,28H,5-8H2,1H3",QNCYYRHIUFGGJX-UHFFFAOYSA-N
DB07970,,5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide,experimental,,,,,,IHZ,,ZINC000020148987,CHEMBL552425,50297825,,91325,24875320,CC1=C(NC2=CC(=CN=C2)C(N)=O)C=C(C=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)",SAAYRHKJHDIDPH-UHFFFAOYSA-N
DB07971,,"5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE",experimental,,,,,,II2,,ZINC000000969294,,92569,,,1202104,NC1=CC=C(SC2=CC=C(C=C2)N2C(=O)C3=C(C=C(N)C=C3)C2=O)C=C1,"InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2",FQQVTDIBUYSVHM-UHFFFAOYSA-N
DB07972,,1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE,experimental,,,,,,II4,,ZINC000001431382,,92570,,,1510981,CC1=CC=CC(=C1)N1C=NC2=CC(N)=CC=C12,"InChI=1S/C14H13N3/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15)5-6-14(13)17/h2-9H,15H2,1H3",VFSVFGIODYZMOF-UHFFFAOYSA-N
DB07973,,N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE,experimental,,,,,,IID,,ZINC000012355093,CHEMBL182323,12398,,,6540267,COC1=CC(CN2C(=CC3=C2C=CC=C3)C(=O)NC2CCN(CC2)C(C)C)=CC=C1,"InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29)",GIPCBGDQVGKMPO-UHFFFAOYSA-N
DB07974,,1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE,experimental,,,,,,IIE,,ZINC000013646547,CHEMBL368238,12400,,,6540268,CC(C)N1CCC(CC1)NC(=O)C1=CC2=C(C=CC=C2)N1CC(=O)NC1=CC=C(Cl)C=C1,"InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)",BDLMBQRBNPDCSS-UHFFFAOYSA-N
DB07975,,"2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID",experimental,,,,,,ILB,,ZINC000013534088,CHEMBL157105,15343,,,10342449,OC(=O)C1=C(CCC1)C(=O)NC1=C(F)C=C(C=C1F)C1=CC=CC(OC(F)(F)F)=C1,"InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)",VTGXLCZUWFYELR-UHFFFAOYSA-N
DB07976,,3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,ILC,,ZINC000013681616,CHEMBL371732,16114,,,15942657,COC1=CC=CC(=C1)C1=CC=C(NC(=O)C2=C(SC=C2)C(O)=O)C(F)=C1,"InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)",GIUMGVUBDBDTDX-UHFFFAOYSA-N
DB07977,,"3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID",experimental,,,,,,ILF,,ZINC000013681618,CHEMBL202431,15341,,,15942658,OC(=O)C1=C(C=CS1)C(=O)NC1=C(F)C=C(C=C1F)C1=CC(OC(F)(F)F)=CC=C1,"InChI=1S/C19H10F5NO4S/c20-13-7-10(9-2-1-3-11(6-9)29-19(22,23)24)8-14(21)15(13)25-17(26)12-4-5-30-16(12)18(27)28/h1-8H,(H,25,26)(H,27,28)",CGNHUSCKOHDSMR-UHFFFAOYSA-N
DB07978,,"2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID",experimental,,,,,,ILH,,ZINC000038450875,,,,,46937112,OC(=O)C1=C(C=CC1)C(=O)NC1=C(F)C(F)=C(C(F)=C1F)C1=CC(OC(F)(F)F)=CC=C1,"InChI=1S/C20H10F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1-5,7H,6H2,(H,28,29)(H,30,31)",ULMUPVXFUDHRGH-UHFFFAOYSA-N
DB07979,,"(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID",experimental,,,,,,IM3,,,,,,,,[H]N=C(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6-",VFINRVRRNHRWEQ-POHAHGRESA-N
DB07981,,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1R)-1-(hydroxymethyl)propyl]acetamide,experimental,,,,,,IM8,,ZINC000013441194,CHEMBL24957,22572,,,16741227,CC[C@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=CC=C(OC)C=C12,"InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m1/s1",GKJWXEORYGBJFS-QGZVFWFLSA-N
DB07982,,2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol,experimental,,,,,,IM9,,ZINC000038994180,CHEMBL477786,50263070,,,11270500,CC(C)N1C(C)=NC=C1C1=NC(NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CO)=NC=C1,"InChI=1S/C23H29N7O2/c1-16(2)30-17(3)25-14-21(30)20-8-9-24-23(27-20)26-18-4-6-19(7-5-18)28-10-12-29(13-11-28)22(32)15-31/h4-9,14,16,31H,10-13,15H2,1-3H3,(H,24,26,27)",PVTKDXZNSUHUMO-UHFFFAOYSA-N
DB07983,,1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID,experimental,,,,,,IMM,,ZINC000002047442,CHEMBL590284,50308511,,,447835,COC1=CC=C2N(C(=O)C3=CC=C(I)C=C3)C(C)=C(CC(O)=O)C2=C1,"InChI=1S/C19H16INO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)",CXBFZYKAVCAPSV-UHFFFAOYSA-N
DB07984,,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1S)-1-(hydroxymethyl)propyl]acetamide,experimental,,,,,,IMS,,ZINC000013441196,CHEMBL27784,22573,,,16741228,CC[C@@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=C1C=C(OC)C=C2,"InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m0/s1",GKJWXEORYGBJFS-KRWDZBQOSA-N
DB07985,,+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE,experimental,,,,,,IN4,,ZINC000002043393,,,,,444406,[H][C@](CCC1=CC=C(C=C1)C(N)=N)(CC(=O)OC)C1=CC=CC(=C1)C(N)=N,"InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)/t16-/m0/s1",PVALLOSAENRPQO-INIZCTEOSA-N
DB07986,,[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID,experimental,,,,,,IN7,,ZINC000001486750,,,,,1948,OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1,"InChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23)",GNSLACGSDSJAIQ-UHFFFAOYSA-N
DB07987,,"[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester",experimental,,,,,,IN8,,ZINC000006475185,,,,,4369082,[H]N([C@H](CC(=O)N([H])C1=NN([H])C(=S)S1)C1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C19H18N4O3S2/c24-16(21-17-22-23-19(27)28-17)11-15(14-9-5-2-6-10-14)20-18(25)26-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,25)(H,23,27)(H,21,22,24)/t15-/m1/s1",AWAKNMKLVLWIIQ-OAHLLOKOSA-N
DB07988,,"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2yl)-ureido]-N-methyl-3-pentafluorophenyl-propionamide",experimental,,,,,,IN9,,ZINC000001545874,CHEMBL290140,50076341,,,4369080,CNC(=O)[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)NC(=O)NC1=NN=C(S)S1,"InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1",HZAXNPDJVFUGDS-BYPYZUCNSA-N
DB07989,,2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER,experimental,,,,,,INC,,ZINC000006706638,,,,,5288636,[H][C@](CC(C)C)(N(O)C(C)=O)C(=O)OC,"InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1",OVUHENJPIUQHLJ-MRVPVSSYSA-N
DB07990,,"(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE",experimental,,,,,,INK,,,,,,,46937114,[H][C@@](CC)(COC1=CC=CC=C1)O[P@](C)(Cl)=O,"InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1",YEIXDWIEYXZUBR-QLJPJBMISA-N
DB07991,,N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE,experimental,,,,,,IOK,,ZINC000016052185,CHEMBL391910,50204815,,,16750040,[H][C@@](C)(CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1,"InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1",APLJSSOXDWUNGV-GOSISDBHSA-N
DB07992,487-94-5,Indoxyl sulfate,experimental,,,,2463933,,IOS,,ZINC000001997119,CHEMBL1233636,50420185,,43355,10258,OS(=O)(=O)OC1=CNC2=CC=CC=C12,"InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)",BXFFHSIDQOFMLE-UHFFFAOYSA-N
DB07993,,"N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE",experimental,,,,,,IP6,,ZINC000011525589,CHEMBL220896,15785,,,11507920,NC1=NC=CC=C1NCC1=CC=CC(=C1)C1=CC2=C(C=CN2)C=C1,"InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)",LPQUIIHPUGDHJK-UHFFFAOYSA-N
DB07994,,"N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE",experimental,,,,,,IP7,,ZINC000011726159,CHEMBL220428,15787,,,11633167,NC1=NC=CC=C1NCC1=C(OCC2=NC=CC=C2)C=CC(=C1)C1=CC2=C(C=CN2)C=C1,"InChI=1S/C26H23N5O/c27-26-23(5-3-12-30-26)31-16-21-14-19(20-7-6-18-10-13-29-24(18)15-20)8-9-25(21)32-17-22-4-1-2-11-28-22/h1-15,29,31H,16-17H2,(H2,27,30)",KMBPJSHPAXOXBT-UHFFFAOYSA-N
DB07995,127243-85-0,H-89,experimental,,,,,,IQB,,ZINC000002043204,CHEMBL104264,15211,,191396,449241,BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1,"InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+",ZKZXNDJNWUTGDK-NSCUHMNNSA-N
DB07996,84477-87-2,5-(2-methylpiperazine-1-sulfonyl)isoquinoline,experimental,,,,,,IQP,,,CHEMBL323556,50216682,,83438,3542,CC1CNCCN1S(=O)(=O)C1=C2C=CN=CC2=CC=C1,"InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3",BDVFVCGFMNCYPV-UHFFFAOYSA-N
DB07997,,N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE,experimental,,,,,,IQS,,ZINC000002043206,CHEMBL148333,15210,,43561,3540,CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2,"InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3",PJWUXKNZVMEPPH-UHFFFAOYSA-N
DB07999,,"{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID",experimental,,,,,,ITA,,ZINC000011536145,,16242,,,11494891,OC(=O)COC(=O)C1=C2C(C(=O)N(CC(O)=O)S2(=O)=O)=C2C=CC=CC2=C1,"InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21)",IXLBOIRSEDMRPI-UHFFFAOYSA-N
DB08000,,"2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE",experimental,,,,,,ITB,,ZINC000011536144,,16240,,,11660035,OC(=O)CN1C(=O)C2=C(C(=CC3=CC=CC=C23)C(O)=O)S1(=O)=O,"InChI=1S/C14H9NO7S/c16-10(17)6-15-13(18)11-8-4-2-1-3-7(8)5-9(14(19)20)12(11)23(15,21)22/h1-5H,6H2,(H,16,17)(H,19,20)",ZTJGXDGAXGWOGR-UHFFFAOYSA-N
DB08001,,5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID,experimental,,,,,,IX1,,ZINC000014954269,CHEMBL184444,13997,,,449162,COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(=CC=C1)C1=C(CO)C(=NO1)C(O)=O,"InChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+",DQSRCEFDWMQCCV-GQCTYLIASA-N
DB08003,,ISOTHIAZOLIDINONE ANALOG,experimental,,,,,,IZD,,ZINC000013674403,CHEMBL382311,13465,,,9547915,[H][C@@](CC1=CC=C(C=C1)[C@]1([H])CC(=O)NS1(=O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O,"InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1",UILYPHAKDBTKQV-UFYCRDLUSA-N
DB08004,,"(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol",experimental,,,,,,IZZ,,ZINC000053683329,,446752,,,46937115,[H][C@](CO)(NC1=NN2C(C=C1)=NC=C2C1=CC(N)=CC=C1)C(C)C,"InChI=1S/C17H21N5O/c1-11(2)14(10-23)20-16-6-7-17-19-9-15(22(17)21-16)12-4-3-5-13(18)8-12/h3-9,11,14,23H,10,18H2,1-2H3,(H,20,21)/t14-/m1/s1",PUMVONFFLKPPIM-CQSZACIVSA-N
DB08005,,4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide,experimental,,,,,,J07,,ZINC000016052346,CHEMBL248176,50211424,,,16129582,CCNC(=O)N1CCC(CC1)NC1=NC(C2=CNC3=CC=CC=C23)=C(Cl)C=N1,"InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26)",ARMFMDYRYOKSOW-UHFFFAOYSA-N
DB08006,,"N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,J4Z,,ZINC000040917822,CHEMBL475814,24413,,,24882195,CC1=NC2=NC=NN2C(NC2=CC3=CC4=CC=CC=C4C=C3C=C2)=C1,"InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3",OXYDLVAOXASTMW-UHFFFAOYSA-N
DB08007,,(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID,experimental,,,,,,J54,,,,,,,24820112,[H][C@@](O)(CNC(=O)NCC1=CC=CC=C1)C(O)=O,"InChI=1S/C11H14N2O4/c14-9(10(15)16)7-13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1",KGFDIRSBGRVEFZ-SECBINFHSA-N
DB08008,,"5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,J5Z,,ZINC000040423124,CHEMBL492529,28817,,,25263414,CC1=NC2=NC=NN2C(NC2=CC=C(C=C2)C(F)(F)F)=C1,"InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3",LRHHXKBKRNNFRV-UHFFFAOYSA-N
DB08009,326914-10-7,SU-11652,experimental,,,,,,J60,,ZINC000003989259,CHEMBL13485,4815,,132084,5329103,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(Cl)C=C3)=C1C,"InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-",XPLJEFSRINKZLC-ATVHPVEESA-N
DB08010,,"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime",experimental,,,,,,J67,,ZINC000039261472,CHEMBL561540,,,,,O\N=C1/C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=CC(\C=C\C3=CC=CC=C3)=C12,"InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,30H,13-15H2/b10-9+,27-23-",DDHASJXGNUWZTM-ZLEWNXFRSA-N
DB08011,,"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime",experimental,,,,,,J72,,ZINC000100036232,,,,,,O\N=C1\C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=C1C=C(F)C=C2,"InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+",DXIHOIDYHQSQKJ-HMMYKYKNSA-N
DB08012,124436-59-5,Pirodavir,experimental,,,,,,J77,,ZINC000000538202,CHEMBL298019,50087765,,,71345,CCOC(=O)C1=CC=C(OCCC2CCN(CC2)C2=CC=C(C)N=N2)C=C1,"InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3",KCHIOGFOPPOUJC-UHFFFAOYSA-N
DB08013,,(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE,experimental,,,,,,J78,,,,,,,130188,CCOC(=O)C1=CC=C(OCCCC2CCN(CC2)C2=NN=C(C)C=C2)C=C1,"InChI=1S/C22H29N3O3/c1-3-27-22(26)19-7-9-20(10-8-19)28-16-4-5-18-12-14-25(15-13-18)21-11-6-17(2)23-24-21/h6-11,18H,3-5,12-16H2,1-2H3",UEIUDEUUVLYRFV-UHFFFAOYSA-N
DB08014,,(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE,experimental,,,,,,J80,,ZINC000006403741,,,,,449026,CCOC(=O)C1=CC=C(OCCCCC2CCN(CC2)C2=NN=C(C)C=C2)C=C1,"InChI=1S/C23H31N3O3/c1-3-28-23(27)20-8-10-21(11-9-20)29-17-5-4-6-19-13-15-26(16-14-19)22-12-7-18(2)24-25-22/h7-12,19H,3-6,13-17H2,1-2H3",AQILFLLHLFBLLG-UHFFFAOYSA-N
DB08015,,"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime",experimental,,,,,,J88,,ZINC000039262491,CHEMBL549385,,,,,O\N=C1/C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=CC=CC(=C12)C1=CC=CC=C1,"InChI=1S/C23H17FN2O4/c24-17-9-15(22-16(10-17)12-29-13-30-22)11-26-19-8-4-7-18(14-5-2-1-3-6-14)20(19)21(25-28)23(26)27/h1-10,28H,11-13H2/b25-21-",SZYREAUDQRVVLV-DAFNUICNSA-N
DB08016,,"4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE",experimental,,,,,,JCL,,ZINC000040976115,CHEMBL500082,,,,11987823,OP(O)(=O)OCCCCC1=C(Cl)NC(=O)NC1=O,"InChI=1S/C8H12ClN2O6P/c9-6-5(7(12)11-8(13)10-6)3-1-2-4-17-18(14,15)16/h1-4H2,(H2,14,15,16)(H2,10,11,12,13)",DAUATIBSDSXXHA-UHFFFAOYSA-N
DB08017,,3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE,experimental,,,,,,JEN,,,CHEMBL1233737,,,,127504,COC1=NN=C(C=C1)N1CCN(CC1)C1=CC(C)=CC=C1,"InChI=1S/C16H20N4O/c1-13-4-3-5-14(12-13)19-8-10-20(11-9-19)15-6-7-16(21-2)18-17-15/h3-7,12H,8-11H2,1-2H3",DDOAUTHWSCUHQA-UHFFFAOYSA-N
DB08018,,"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE",experimental,,,,,,JI3,,ZINC000039036155,CHEMBL474637,29234,,,24798097,[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@@]1([H])NCCNCC1=CC=C(Cl)C=C1,"InChI=1S/C20H28ClN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1",JDRSQGJWTVRNGM-QFBILLFUSA-N
DB08019,,"N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine",experimental,,,,,,JI7,,ZINC000039036704,CHEMBL526688,29235,,,25021186,[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@]1([H])NCCNCC1=CC(Cl)=CC=C1,"InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1",VWCMAGONQJHIJZ-LPHOPBHVSA-N
DB08020,,"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL",experimental,,,,,,JJ3,,ZINC000006716343,CHEMBL236086,19987,,,9927355,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1,"InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1",RHQLNMNKTIOREN-AOIWGVFYSA-N
DB08021,,5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide,experimental,,,,,,JK3,,ZINC000039258074,CHEMBL1233749,32460,,,44224261,ClC1=C(N2CCN(CC#C)CC2)C(NC(=O)C2=CC=C(Br)O2)=CC=C1,"InChI=1S/C18H17BrClN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h1,3-7H,8-12H2,(H,21,24)",MEFJFXHHHNDHEN-UHFFFAOYSA-N
DB08022,,"(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile",experimental,,,,,,JN5,,ZINC000016052772,,,,,46937117,[H][C@](C#N)(C1=NC2=C(S1)C=CC=C2)C1=NC(NCCC2=CC=CN=C2)=NC=C1,"InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)/t15-/m1/s1",RCYPVQCPYKNSTG-OAHLLOKOSA-N
DB08023,,"N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine",experimental,,,,,,JNF,,ZINC000039079624,CHEMBL482708,50271563,,78508,24801862,CN(C1CCCCC1)C1=NC(=CC=N1)C1=CN=C2C=CC=CN12,"InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3",HYNNWLVWJXWXFO-UHFFFAOYSA-N
DB08024,,1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE,experimental,,,,,,JNH,,ZINC000016051771,,,,,5459374,[H][C@](N)(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])CN,"InChI=1S/C20H25N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-14,21-22H2/t18-,19-/m0/s1",MUUVLSCVDXKQQV-OALUTQOASA-N
DB08025,,"N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE",experimental,,,,,,JNK,,ZINC000100062075,CHEMBL203631,50178847,,,,[H][C@@]1(CC[C@@]([H])(CC1)C(=O)NC1=CC(=CC=N1)C1=CC(NC2=CC=C(F)C=C2)=NC=C1)OC,"InChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30)/t16-,21-",ACGBFWCBVIXTPZ-OQIWPSSASA-N
DB08026,,"2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide",experimental,,,,,,JNO,,ZINC000016052751,CHEMBL485323,50271524,,,24801863,CNC(=O)CN1CCC(CC1)NC1=NC(=CC=N1)C1=CN=C2C=CC=CN12,"InChI=1S/C19H23N7O/c1-20-18(27)13-25-10-6-14(7-11-25)23-19-21-8-5-15(24-19)16-12-22-17-4-2-3-9-26(16)17/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,20,27)(H,21,23,24)",AJLILYAPRHIFAS-UHFFFAOYSA-N
DB08027,564475-13-4,CAP-1,experimental,,,,,,JPR,,ZINC000003991695,CHEMBL497058,50490577,,,5082818,CN(C)CC1=CC=C(CSCCNC(=O)NC2=CC=C(C)C(Cl)=C2)O1,"InChI=1S/C18H24ClN3O2S/c1-13-4-5-14(10-17(13)19)21-18(23)20-8-9-25-12-16-7-6-15(24-16)11-22(2)3/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,21,23)",WEYNBWVKOYCCQT-UHFFFAOYSA-N
DB08028,,"BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE",experimental,,,,,,JST,,ZINC000006761168,,,,,135521746,ClC1=CC=C(C=C1)C1=NN\C(SC1)=N\CCC=C,"InChI=1S/C13H14ClN3S/c1-2-3-8-15-13-17-16-12(9-18-13)10-4-6-11(14)7-5-10/h2,4-7H,1,3,8-9H2,(H,15,17)",ZVZPCRKQNRRBOQ-UHFFFAOYSA-N
DB08029,,N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide,experimental,,,,,,JT5,,ZINC000053683340,CHEMBL1233772,50332952,,,24178109,OCCN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20)",QQDWEVONJRXVDB-UHFFFAOYSA-N
DB08030,,3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide,experimental,,,,,,JT6,,ZINC000000022419,CHEMBL38851,50096645,,,10039403,ONC(=O)CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N,"InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)",XZWFHJUEAVOHHG-UHFFFAOYSA-N
DB08031,,"N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE",experimental,,,,,,JTP,,ZINC000016051938,CHEMBL216647,50199050,,,11987832,CC(C)(NC(=O)C1=CC=C2C(=C1)N1CCOC3=C(C=CC=C3)C1=C2C1CCCCC1)C(O)=O,"InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32)",LNQWELVSNCYKDU-UHFFFAOYSA-N
DB08032,,"N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE",experimental,,,,,,K01,,ZINC000000953703,CHEMBL228369,24152,,,1190625,CCN(CC)C(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCCC2,"InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)",NZTHBWHANVWSRX-UHFFFAOYSA-N
DB08033,,"(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE",experimental,,,,,,K02,,ZINC000016052555,,,,,16122638,[H][C@@]1(C)CCC2=C(C1)C(C(=O)N(CC)CC)=C(NC(=O)C1=CC=CS1)S2,"InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)/t12-/m1/s1",UQKSYQYWUHUIEH-GFCCVEGCSA-N
DB08034,,"(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE",experimental,,,,,,K05,,ZINC000000074303,CHEMBL1233795,33953,,,9562794,COC1=C(\C=N\NC(=O)C2=CC(O)=C(O)C=C2)C2=CC=CC=C2C=C1,"InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+",TVOPERZEGKBKAY-RGVLZGJSSA-N
DB08035,,"1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE",experimental,,,,,,K10,,ZINC000029050717,CHEMBL411930,,,,11522441,CC1=CC=C(C)C(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=C1,"InChI=1S/C18H23N5/c1-11-6-7-12(2)13(8-11)9-14-15-16(19)20-10-21-17(15)23(22-14)18(3,4)5/h6-8,10H,9H2,1-5H3,(H2,19,20,21)",QUPXEJURIFFVSX-UHFFFAOYSA-N
DB08036,,"6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one",experimental,,,,,,K2C,,ZINC000002560264,CHEMBL16958,2581,,,3815,O=C1NCC2=C3C(NC4=CC=CC=C34)=C3NC4=C(C=CC=C4)C3=C12,"InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)",MEXUTNIFSHFQRG-UHFFFAOYSA-N
DB08037,845256-65-7,MK-0731,experimental,,,,,,K30,,ZINC000014209414,CHEMBL481931,50252149,,,11655511,CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1,"InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1",MYBGWENAVMIGMM-GIFXNVAJSA-N
DB08038,,"L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide",experimental,,,,,,K7I,,ZINC000053683343,,,,,46937118,[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(C)O,"InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1",CPAOOGAUUDSJCS-FMSGJZPZSA-N
DB08039,,"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE",experimental,,,,,,K88,,ZINC000003875028,CHEMBL605003,50307127,,,5312137,CN(C)S(=O)(=O)C1=CC=C2NC(=O)\C(=C/C3=CC4=C(CCCC4)N3)C2=C1,"InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-",LOGJQOUIVKBFGH-YBEGLDIGSA-N
DB08040,92175-57-0,Kelatorphan,experimental,,,,,,KEL,,ZINC000006020153,CHEMBL85320,92500,,,123982,C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1",OJCFZTVYDSKXNM-GXSJLCMTSA-N
DB08041,,3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID,experimental,,,,,,KI2,,ZINC000013354101,,,,,10958449,[H][C@@](CC1=CC=CC=C1)(NC(=O)OCC1=CC=CC=C1)[C@@]([H])(O)C(O)=O,"InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1",JXJYTERRLRAUSF-JKSUJKDBSA-N
DB08042,,"N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",experimental,,,,,,KIM,,ZINC000019870407,,,,,24941243,COC1=CC(NC2=NC(=CC=N2)N(C)C2=CC3=C(C=C2)C(C)=NN3)=CC(OC)=C1OC,"InChI=1S/C22H24N6O3/c1-13-16-7-6-15(12-17(16)27-26-13)28(2)20-8-9-23-22(25-20)24-14-10-18(29-3)21(31-5)19(11-14)30-4/h6-12H,1-5H3,(H,26,27)(H,23,24,25)",FLXGQDHYCWXTAI-UHFFFAOYSA-N
DB08043,,1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA,experimental,,,,,,KIN,,ZINC000034778315,CHEMBL1233853,,,,15942672,FC(F)(F)C1=CC(NC(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)=CC=C1,"InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)",DDDLGNOZDKDSEG-UHFFFAOYSA-N
DB08044,913623-69-5,ABT-341,experimental,18600568,,,,,KIQ,,ZINC000014950371,,,,,11974440,[H][C@]1(N)CC(=CC[C@]1([H])C1=CC(F)=C(F)C=C1F)C(=O)N1CCN2C(C1)=NN=C2C(F)(F)F,"InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m1/s1",NVVSPGQEXMJZIR-BMIGLBTASA-N
DB08045,,"4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL",experimental,,,,,,KJ2,,ZINC000016051828,,,,,5288672,NCCCOC1=CC=C(C=C1)C1=C(NN=C1)C1=CC(Cl)=C(O)C=C1O,"InChI=1S/C18H18ClN3O3/c19-15-8-13(16(23)9-17(15)24)18-14(10-21-22-18)11-2-4-12(5-3-11)25-7-1-6-20/h2-5,8-10,23-24H,1,6-7,20H2,(H,21,22)",XDDGJOIYZAMLBW-UHFFFAOYSA-N
DB08046,1441368-51-9,2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide,experimental,,,,,,KLT,,ZINC000000057255,CHEMBL402262,,,,688424,NS(=O)(=O)C1=C(Cl)C=CC(=C1)[C@@]1(O)NC(=O)C2=C1C=CC=C2,"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1",JIVPVXMEBJLZRO-AWEZNQCLSA-N
DB08047,,"4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol",experimental,,,,,,KN1,,,CHEMBL222501,50157493,,,135461982,OC1=CC(O)=C(C=C1)C1=NN(CC=C)C2=C1C=CC=C2C(F)(F)F,"InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2",ZDUDMCQPFKPISO-UHFFFAOYSA-N
DB08048,,"4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL",experimental,,,,,,KN2,,ZINC000013586321,CHEMBL223026,50157486,,,135566322,OC1=CC=C2C(NN=C2C2=CC=C(O)C=C2O)=C1,"InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)",WLDZDEMGKFWJNR-UHFFFAOYSA-N
DB08049,,"7,8-dihydroxy-4-phenyl-2H-chromen-2-one",experimental,,,,,,KOM,,ZINC000000406883,CHEMBL1233867,,,,5413034,OC1=CC=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1O,"InChI=1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H",JRVIIPJSVKTPBK-UHFFFAOYSA-N
DB08050,,5-phenyl-2-keto-valeric acid,experimental,,,,,,KPV,,,,,,,13294447,OC(=O)C(=O)CCCC1=CC=CC=C1,"InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)",MJXXAPORLGKVLB-UHFFFAOYSA-N
DB08051,,"(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE",experimental,,,,,,KR2,,ZINC000016052306,CHEMBL513425,50256266,,,16739331,[H][C@](N)(CC(=O)N1CCCCCN1C(=O)C1=CC=CC=C1)CC1=C(F)C=C(F)C(F)=C1,"InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1",XXRHRPGYYNOBHO-QGZVFWFLSA-N
DB08052,1092788-83-4,PP-121,experimental,,,,,,KS1,,ZINC000020148984,CHEMBL1081312,50313645,,50915,24905142,NC1=NC=NC2=C1C(=NN2C1CCCC1)C1=CC2=C(NC=C2)N=C1,"InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)",NVRXTLZYXZNATH-UHFFFAOYSA-N
DB08053,,"1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",experimental,,,,,,KS4,,ZINC000008581973,CHEMBL1233881,36408,,,24905153,COC1=C(OC)C=C(C=C1)C1=NN(C2CCC2)C2=NC=NC(N)=C12,"InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)",ITOYZJGFTNTKKR-UHFFFAOYSA-N
DB08054,,"1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",experimental,,,,,,KS5,,ZINC000020148983,CHEMBL1233882,36407,,,24905152,CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CN=C2C=C1,"InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21)",GEZALMMCQYDFML-UHFFFAOYSA-N
DB08055,,"N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine",experimental,,,,,,KSF,,ZINC000039033939,CHEMBL462228,50246553,,,44563262,ClC1=C(NC2=NC=C(N3C=NC=C23)C2=CC=CC=C2)C=CC=C1,"InChI=1S/C18H13ClN4/c19-14-8-4-5-9-15(14)22-18-17-10-20-12-23(17)16(11-21-18)13-6-2-1-3-7-13/h1-12H,(H,21,22)",NNBICZMPIJMWGC-UHFFFAOYSA-N
DB08056,,"N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine",experimental,,,,,,KSL,,,CHEMBL223873,50198370,,,44422489,CC1=CC=CC(C)=C1NC1=NC=C(N2C=NC=C12)C1=CC=CC=C1,"InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)",KKYYLKPGILUPOA-UHFFFAOYSA-N
DB08057,,"N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine",experimental,,,,,,KSM,,ZINC000039033598,,,,,46937119,[H][C@]1(C)CN(CCN1)C1=CC=C2N=C(NC3=C(C)C=CC=C3Cl)C3=CN=CN3C2=C1,"InChI=1S/C22H23ClN6/c1-14-4-3-5-17(23)21(14)27-22-20-11-24-13-29(20)19-10-16(6-7-18(19)26-22)28-9-8-25-15(2)12-28/h3-7,10-11,13,15,25H,8-9,12H2,1-2H3,(H,26,27)/t15-/m0/s1",VWJPPYCULHDHBB-HNNXBMFYSA-N
DB08058,,"4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one",experimental,,,,,,KU8,,ZINC000003821234,CHEMBL380648,27533,,,11291932,FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCCNCC1,"InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)",HGEPGGJUGUMFHT-UHFFFAOYSA-N
DB08059,19545-26-7,Wortmannin,experimental,,,,,,KWT,,ZINC000001619592,CHEMBL428496,15234,,52289,312145,[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C,"InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1",QDLHCMPXEPAAMD-QAIWCSMKSA-N
DB08060,,4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID,experimental,,,,,,KY1,,ZINC000013356580,CHEMBL1233898,,,,6420149,NC1=CC=CC=C1C(=O)CCC(O)=O,"InChI=1S/C10H11NO3/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4H,5-6,11H2,(H,13,14)",BIASMBPERGWEBX-UHFFFAOYSA-N
DB08061,,4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE,experimental,,,,,,L02,,ZINC000005974200,CHEMBL75691,50059237,,,449126,ClC1=CC=C(C=C1)C1=NNC(=C1)C1CCNCC1,"InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18)",GELALLNTKKLQLM-UHFFFAOYSA-N
DB08062,,"3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE",experimental,,,,,,L03,,ZINC000018004728,CHEMBL225664,,,,449127,CSC1=NN=C(N1)C1=CC=C(Cl)C=C1,"InChI=1S/C9H8ClN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)",YXVAYMRODBYXIQ-UHFFFAOYSA-N
DB08063,,"1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE",experimental,,,,,,L05,,,CHEMBL189938,20156,,,5288679,COC1=CC=C(NC2=C(C(=O)N(CC3=CC=CC=C3)C2=O)C2=CC=CC=C2)C=C1,"InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3",HLZMYWLMBBLASX-UHFFFAOYSA-N
DB08064,,N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA,experimental,,,,,,L09,,ZINC000016051617,CHEMBL191598,13345,,,5326866,CC(C)(C)C1=NNC(NC(=O)NC2=CC=C(Cl)C(COC3=CC=CN=C3)=C2)=C1,"InChI=1S/C20H22ClN5O2/c1-20(2,3)17-10-18(26-25-17)24-19(27)23-14-6-7-16(21)13(9-14)12-28-15-5-4-8-22-11-15/h4-11H,12H2,1-3H3,(H3,23,24,25,26,27)",NTMADESEDXKNFZ-UHFFFAOYSA-N
DB08065,,2-(1H-pyrazol-3-yl)-1H-benzimidazole,experimental,,,,,,L0D,,ZINC000005687459,CHEMBL495758,24637,,,763936,N1C=CC(=N1)C1=NC2=CC=CC=C2N1,"InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)",IYTGPPNUOLLGBE-UHFFFAOYSA-N
DB08066,,N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE,experimental,,,,,,L0F,,,CHEMBL522891,27078,,,135566361,O=C(NC1=CNN=C1C1=NC2=C(N1)C=CC=C2)C1=CC=CC=C1,"InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)",FPKSFXFWECAIBR-UHFFFAOYSA-N
DB08067,,4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM,experimental,,,,,,L0I,,,,,,,135566363,O=C(NC1CC1)NC1=CNN=C1C1=NC2=CC=C(C[NH+]3CCOCC3)C=C2N1,"InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)/p+1",LOLPPWBBNUVNQZ-UHFFFAOYSA-O
DB08068,,N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-,experimental,,,,,,L11,,ZINC000033295973,,,,,46937120,[H][C@@]1(F)C[C@]([H])(CC(=C1)C(=O)NC1=CC=C(Cl)C(COC2=CN=CC=C2)=C1)N1CCOCC1,"InChI=1S/C23H25ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-11,14,18,20H,6-9,12-13,15H2,(H,27,29)/t18-,20-/m0/s1",YQJVDUKATDECHF-ICSRJNTNSA-N
DB08069,,"4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE",experimental,,,,,,L13,,ZINC000006812656,,,,,2405215,CC1=CC=CC=C1C1=NNC(=S)N1N,"InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14)",CUEYNOAJNUCBAP-UHFFFAOYSA-N
DB08070,,2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE,experimental,,,,,,L15,,ZINC000016052554,CHEMBL228224,16213,,,16122634,CC1=NNC=C1C1=CC=C(CCN)C=C1,"InChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3,(H,14,15)",ILTOXASLQDKYJW-UHFFFAOYSA-N
DB08071,,"(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine",experimental,,,,,,L18,,ZINC000053683354,,,,,46937121,[H][C@](C)(C[C@@]([H])(C)C1=CC=CC=C1)C[C@]1([H])CCCCN1C,"InChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1",UEEAJOUBQAEABH-JZXOWHBKSA-N
DB08072,,"4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE",experimental,,,,,,L1R,,ZINC000028966930,CHEMBL398428,50231519,,,23653530,CC(C)OC1=CC(NC(=O)C2=CC(Cl)=C(OCCN)C(Cl)=C2)=CC=C1,"InChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23)",AYKUIRSGEMLIFT-UHFFFAOYSA-N
DB08073,,(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE,experimental,,,,,,L20,,ZINC000016052239,CHEMBL379300,15131,,91351,10172943,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12,"InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1",YWTBGJGMTBHQTM-IBGZPJMESA-N
DB08074,,3-(3-Methyl-2-buten-1-yl)-3H-purin-6-amine,experimental,,,,,,L21,,ZINC000000002209,,32651,,9658,,CC(C)=CCN1C=NC(N)=C2N=CN=C12,"InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3",BEPGTHDUUROBHM-UHFFFAOYSA-N
DB08075,,"4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine",experimental,,,,,,L22,,ZINC000034099696,,32646,,,13582275,NC1=NC(=CS1)C1=NC(N)=NC=C1,"InChI=1S/C7H7N5S/c8-6-10-2-1-4(11-6)5-3-13-7(9)12-5/h1-3H,(H2,9,12)(H2,8,10,11)",FHERIFNAOMUFRM-UHFFFAOYSA-N
DB08076,,"4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine",experimental,,,,,,L23,,ZINC000002557486,CHEMBL1233922,32647,,,2766552,CC1=NC(=CN1CC1=C(Cl)C=CC=C1Cl)C1=NC(N)=NC=C1,"InChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)",CKSSZTMRRVJNNG-UHFFFAOYSA-N
DB08077,,"2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID",experimental,,,,,,L35,,ZINC000003646141,CHEMBL76029,,,,195347,CC(C)(OC1=CC=C(NC(=O)NC2=CC(Cl)=CC(Cl)=C2)C=C1)C(O)=O,"InChI=1S/C17H16Cl2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)",OYJPTSMWFKGZJM-UHFFFAOYSA-N
DB08078,,{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid,experimental,,,,,,L41,,ZINC000002541693,CHEMBL153057,50085041,,94812,6603901,CCCC1=C(OCCCOC2=CC=C(OCC(O)=O)C=C2)C=CC(C(C)=O)=C1O,"InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)",HBBVCKCCQCQCTJ-UHFFFAOYSA-N
DB08079,1002304-34-8,AMG-208,investigational,,,,,,L5G,,ZINC000034285235,CHEMBL496102,24470,AMG 208,90626,24864821,COC1=CC2=NC=CC(OCC3=NN=C4C=CC(=NN34)C3=CC=CC=C3)=C2C=C1,"InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3",HEAIZQNMNCHNFD-UHFFFAOYSA-N
DB08080,76343-94-7,Latrunculin B,experimental,,,,,,LAB,,ZINC000005751767,CHEMBL411879,50508923,,49703,6436219,[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1,"InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1",NSHPHXHGRHSMIK-JRIKCGFMSA-N
DB08081,,3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE,experimental,,,,,,LAE,,ZINC000004102231,CHEMBL463321,50351511,,,127293,[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCC,"InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1",FXCMGCFNLNFLSH-JTQLQIEISA-N
DB08082,,N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE,experimental,,,,,,LAZ,,ZINC000001665476,CHEMBL1233960,50463822,,,233979,OCCNC(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)",GBARCMIFTACERW-UHFFFAOYSA-N
DB08083,,"2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide",experimental,,,,,,LC1,,ZINC000039716428,CHEMBL455271,50248167,,,44144383,NS(=O)(=O)C1=CC=C2NC(=NC2=C1)C1=CSC=N1,"InChI=1S/C10H8N4O2S2/c11-18(15,16)6-1-2-7-8(3-6)14-10(13-7)9-4-17-5-12-9/h1-5H,(H,13,14)(H2,11,15,16)",KGMVTZZDGKDTEU-UHFFFAOYSA-N
DB08084,,IDD594,experimental,,,,,,LDT,,ZINC000013137482,CHEMBL395347,16313,,,4369325,OC(=O)COC1=CC(F)=CC=C1C(=S)NCC1=CC=C(Br)C=C1F,"InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)",JCZUIWYXULSXSW-UHFFFAOYSA-N
DB08085,,1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE,experimental,,,,,,LEG,,ZINC000013829389,CHEMBL237600,18825,,,14899645,CCCCCCC1=CC=C(C=C1)C(=O)C=C,"InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3",IINHTEWASPUCMH-UHFFFAOYSA-N
DB08086,,N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine,experimental,,,,,,LEH,,ZINC000053683360,,,,,46937122,[H][C@@](CC(C)C)(NC(=O)CCCCCCCCCCCN1C=CN=C1)C(O)=O,"InChI=1S/C21H37N3O3/c1-18(2)16-19(21(26)27)23-20(25)12-10-8-6-4-3-5-7-9-11-14-24-15-13-22-17-24/h13,15,17-19H,3-12,14,16H2,1-2H3,(H,23,25)(H,26,27)/t19-/m0/s1",PSJOKLGFODYIHJ-IBGZPJMESA-N
DB08087,,"4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE",experimental,,,,,,LG7,,ZINC000014967191,CHEMBL425646,,,,9944398,[H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=CC=C(C#N)C2=CC=CC=C12,"InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14-15,21H,7-8H2/t14-,15+/m1/s1",NHBIWLQQJPSMNP-CABCVRRESA-N
DB08088,,"2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile",experimental,,,,,,LGB,,ZINC000013982536,CHEMBL484726,29320,,,,N#CC1=CC=C(\N=C2/O[C@@]([H])(C(F)(F)F)[C@]3([H])[C@](O)([H])CCN23)C(C)=C1Cl,"InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13+/m0/s1",KALFKWQLCWAXJO-RNSKTZJQSA-N
DB08089,328947-93-9,LGD-2226,experimental,,,,,,LGD,,ZINC000014968232,CHEMBL436784,18524,,,11560224,FC(F)(F)CN(CC(F)(F)F)C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1,"InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)",ULBPQWIGZUGPHU-UHFFFAOYSA-N
DB08090,,"(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol",experimental,,,,,,LGS,,ZINC000053683362,,,,,,[H][C@]12CO\C(=N/CCCCCCCC)N1[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O,"InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1",QJILQIWQVOAQBB-KRIYVDMXSA-N
DB08091,,3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE,experimental,,,,,,LI2,,ZINC000003818635,CHEMBL365776,13351,,,5326868,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1,"InChI=1S/C26H25FN4O2/c27-21-13-20(14-23(15-21)31-9-11-33-12-10-31)26(32)30-22-3-4-25-24(16-22)19(17-29-25)2-1-18-5-7-28-8-6-18/h3-8,13-17,29H,1-2,9-12H2,(H,30,32)",HIUFYIOMUILESI-UHFFFAOYSA-N
DB08092,,3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide,experimental,,,,,,LI3,,,CHEMBL195450,13350,,,5326870,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=CC2=C1)N1CCOCC1,"InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)",VMLSXFMXUNVCSK-UHFFFAOYSA-N
DB08093,,3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE,experimental,,,,,,LI4,,,CHEMBL195393,13340,,,5326871,NC1=C(OCC2=CC=CC3=CC=CC=C23)C=CC=N1,"InChI=1S/C16H14N2O/c17-16-15(9-4-10-18-16)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H2,17,18)",SZANYTFSQVBOBA-UHFFFAOYSA-N
DB08094,741713-40-6,RO-4584820,investigational,,,,,,LIA,,ZINC000013983251,CHEMBL384304,12621,RG-547,,6918852,COC1=CC=C(F)C(F)=C1C(=O)C1=CN=C(NC2CCN(CC2)S(C)(=O)=O)N=C1N,"InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)",JRNJNYBQQYBCLE-UHFFFAOYSA-N
DB08095,,"3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA",experimental,,,,,,LIB,,ZINC000016052060,CHEMBL379760,50411056,,,6540299,[H][C@@](C)(NC1=NC=CC(=N1)N(C(=O)NC1=CC=CC=C1Cl)C1=CC=C(OC)C=C1)C(C)(C)O,"InChI=1S/C23H26ClN5O3/c1-15(23(2,3)31)26-21-25-14-13-20(28-21)29(16-9-11-17(32-4)12-10-16)22(30)27-19-8-6-5-7-18(19)24/h5-15,31H,1-4H3,(H,27,30)(H,25,26,28)/t15-/m0/s1",ZWYFTKPEHRQCCW-HNNXBMFYSA-N
DB08096,,"8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM",experimental,,,,,,LID,,ZINC000016052082,CHEMBL425616,,,,6852209,CCN1C(NC2=CC=CC=C2Cl)=NC2=C1N=C(NC1=C(F)C=CC=C1F)N=C2,"InChI=1S/C19H15ClF2N6/c1-2-28-17-15(25-19(28)24-14-9-4-3-6-11(14)20)10-23-18(27-17)26-16-12(21)7-5-8-13(16)22/h3-10H,2H2,1H3,(H,24,25)(H,23,26,27)",ZWKOUFZHPNIQSH-UHFFFAOYSA-N
DB08097,,"2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE",experimental,,,,,,LIE,,ZINC000016052083,CHEMBL380373,,,,9543517,CC(C)N1C(NC2=CC=CC=C2F)=NC2=CN=C(OC3=C(F)C=CC=C3F)N=C12,"InChI=1S/C20H16F3N5O/c1-11(2)28-18-16(26-19(28)25-15-9-4-3-6-12(15)21)10-24-20(27-18)29-17-13(22)7-5-8-14(17)23/h3-11H,1-2H3,(H,25,26)",OGWSGDLIXOEZJG-UHFFFAOYSA-N
DB08098,,"{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid",experimental,,,,,,LIT,,,,16235,,43741,2817424,OC(=O)CSC1=NN=C(O1)C1=CC=C(O1)[N+]([O-])=O,"InChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)",ITBNJCVIFHSKRL-UHFFFAOYSA-N
DB08099,,"6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine",experimental,,,,,,LIY,,ZINC000014966595,,,,,11963546,[H][C@]1(CCC2=CC=C(C=C2N1CCCOC)C1=C(N)N=C(N)N=C1CC)C1=CC=CC=C1,"InChI=1S/C25H31N5O/c1-3-20-23(24(26)29-25(27)28-20)19-11-10-18-12-13-21(17-8-5-4-6-9-17)30(22(18)16-19)14-7-15-31-2/h4-6,8-11,16,21H,3,7,12-15H2,1-2H3,(H4,26,27,28,29)/t21-/m0/s1",UOYVKYJWAXJTTE-NRFANRHFSA-N
DB08100,,"2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol",experimental,,,,,,LJ1,,ZINC000029548831,CHEMBL55960,50012798,,,6365297,CC1=CC(\C=C\C2=CC=CC=C2)=CC(C)=C1O,"InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+",PAHKYLUYTGBFNW-CMDGGOBGSA-N
DB08101,,"2,6-dibromo-4-[(E)-2-phenylethenyl]phenol",experimental,,,,,,LJ2,,ZINC000040836561,CHEMBL450995,,,,25129137,OC1=C(Br)C=C(\C=C\C2=CC=CC=C2)C=C1Br,"InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+",WMVYUPRIADVLTH-VOTSOKGWSA-N
DB08102,,"3,5-dibromobiphenyl-4-ol",experimental,,,,,,LJ3,,ZINC000000405065,CHEMBL493062,91398,,,243556,OC1=C(Br)C=C(C=C1Br)C1=CC=CC=C1,"InChI=1S/C12H8Br2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H",SKQRVOXIIAXXEM-UHFFFAOYSA-N
DB08103,,"2,6-dibromo-4-phenoxyphenol",experimental,,,,,,LJ4,,ZINC000034512355,CHEMBL501942,,,,10831270,OC1=C(Br)C=C(OC2=CC=CC=C2)C=C1Br,"InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H",CRSZEDOZGJPOHP-UHFFFAOYSA-N
DB08104,,"N-(3,5-dibromo-4-hydroxyphenyl)benzamide",experimental,,,,,,LJ5,,ZINC000000945266,CHEMBL452648,,,,1184681,OC1=C(Br)C=C(NC(=O)C2=CC=CC=C2)C=C1Br,"InChI=1S/C13H9Br2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)",HKODPZBPODONGO-UHFFFAOYSA-N
DB08105,,N-[(6-butoxynaphthalen-2-yl)sulfonyl]-L-glutamic acid,experimental,,,,,,LK1,,ZINC000016052243,CHEMBL458624,26460,,,16122581,CCCCOC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m0/s1",UAGYXJBYAFGRFR-KRWDZBQOSA-N
DB08106,,N-[(6-butoxynaphthalen-2-yl)sulfonyl]-D-glutamic acid,experimental,,,,,,LK2,,ZINC000016052242,CHEMBL528988,26444,,,16122580,CCCCOC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O,"InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1",UAGYXJBYAFGRFR-QGZVFWFLSA-N
DB08107,,N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID,experimental,,,,,,LK3,,ZINC000016052547,CHEMBL517944,26445,,,24755470,[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCCCCC)C=C2)C(O)=O,"InChI=1S/C20H25NO7S/c1-2-3-4-11-28-16-7-5-15-13-17(8-6-14(15)12-16)29(26,27)21-18(20(24)25)9-10-19(22)23/h5-8,12-13,18,21H,2-4,9-11H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1",LIGACKDHLKEZFH-GOSISDBHSA-N
DB08108,,N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID,experimental,,,,,,LK4,,ZINC000016052548,CHEMBL458966,26453,,,24755471,[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCC1=CC=C(C=C1)C#N)C=C2)C(O)=O,"InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1",PUHRQSFXADUGJW-OAQYLSRUSA-N
DB08109,,"(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID",experimental,,,,,,LK5,,ZINC000100036343,,,,,46937124,[H][C@](CC)(C=O)[C@@]1([H])NC(C(O)=O)=C2[C@@]1([H])CCC[C@@]2([H])OCCCC,"InChI=1S/C17H27NO4/c1-3-5-9-22-13-8-6-7-12-14(13)16(17(20)21)18-15(12)11(4-2)10-19/h10-13,15,18H,3-9H2,1-2H3,(H,20,21)/t11-,12+,13+,15+/m0/s1",WRBRCIHZCYLBFW-KYEXWDHISA-N
DB08110,,"(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID",experimental,,,,,,LK7,,ZINC000100036348,,,,,46937125,[H][C@]1(NC(C(O)=O)=C2[C@]1([H])CCC[C@]2([H])OC)C(=C/C)\C=O,"InChI=1S/C14H19NO4/c1-3-8(7-16)12-9-5-4-6-10(19-2)11(9)13(15-12)14(17)18/h3,7,9-10,12,15H,4-6H2,1-2H3,(H,17,18)/b8-3-/t9-,10-,12-/m0/s1",ZYKSDPVHVMSKIL-IIHMJNQGSA-N
DB08111,,"4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol",experimental,,,,,,LKG,,ZINC000016052803,CHEMBL495898,24467,,,24901696,OC1=CC=C(CC2=NN=C3C=CC(=NN23)C2=CC=CC=C2)C=C1,"InChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2",ZGJYGQLGSXWEMY-UHFFFAOYSA-N
DB08112,,N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID,experimental,,,,,,LKM,,ZINC000040848762,CHEMBL457526,26455,,,25058128,[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCC1=C(F)C=C(C=C1)C#N)C=C2)C(O)=O,"InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1",IRJUSGUHNFMVCK-OAQYLSRUSA-N
DB08113,,3-pyridin-4-yl-1H-indazole,experimental,,,,,,LL1,,ZINC000039132370,CHEMBL1234032,50102624,,,12412578,N1N=C(C2=C1C=CC=C2)C1=CC=NC=C1,"InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)",MSRXUUDVRNWSTN-UHFFFAOYSA-N
DB08114,,"5-benzyl-1,3-thiazol-2-amine",experimental,,,,,,LL2,,ZINC000000063264,CHEMBL1234033,,,,691952,NC1=NC=C(CC2=CC=CC=C2)S1,"InChI=1S/C10H10N2S/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12)",FJIMLXBJUVLMMN-UHFFFAOYSA-N
DB08115,,2-aminoethyl naphthalen-1-ylacetate,experimental,,,,,,LLG,,ZINC000053683366,,,,,24883481,NCCOC(=O)CC1=C2C=CC=CC2=CC=C1,"InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2",PDCSQCHNOPNJMK-UHFFFAOYSA-N
DB08116,,"(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine",experimental,,,,,,LN1,,ZINC000058639150,,,,,46937126,[H][C@](NC1=C(C=O)C=C2C=CC=CN12)(C(O)=O)[C@](C)(COC(=O)CC1=CC(O)=C(O)C=C1)[S@](O)=O,"InChI=1S/C22H22N2O9S/c1-22(34(31)32,12-33-18(28)9-13-5-6-16(26)17(27)8-13)19(21(29)30)23-20-14(11-25)10-15-4-2-3-7-24(15)20/h2-8,10-11,19,23,26-27H,9,12H2,1H3,(H,29,30)(H,31,32)/t19-,22-/m0/s1",DEOZLEGRVHDNKC-UGKGYDQZSA-N
DB08118,,"2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide",experimental,,,,,,LOI,,ZINC000039277809,CHEMBL490961,50248535,,,25229552,CNC1=C(C=C(SC2=NN=CN2C)C=C1)C(=O)NC1=NC(C)=CS1,"InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22)",XRJAKERBMMBUGR-UHFFFAOYSA-N
DB08119,,"1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)",experimental,,,,,,LPF,,,,,,,3082654,[H][C@@](CC(C)C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)C(F)(F)F,"InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1",MZNXJCZDQRNGRC-GJZGRUSLSA-N
DB08120,,"6,8-DIMERCAPTO-OCTANOIC ACID AMIDE",experimental,,,,,,LPM,,ZINC000003869863,,,,43711,445160,[H][C@](S)(CCS)CCCCC(N)=O,"InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m1/s1",VLYUGYAKYZETRF-SSDOTTSWSA-N
DB08121,,(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid,experimental,,,,,,LRG,,ZINC000013671695,CHEMBL191275,28759,,,11483970,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1",TZTPJJNNACUQQR-FQEVSTJZSA-N
DB08122,,"N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide",experimental,,,,,,LS1,,ZINC000010254749,CHEMBL1234085,,,,,[H]\C(NC1=CC=C(C=C1)S(=O)(=O)NC)=C1\C(=O)NC2=CC=CC=C12,"InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,17-18H,1H3,(H,19,20)/b14-10-",IKASAFLVQIJQOK-UVTDQMKNSA-N
DB08123,,"N-methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide",experimental,,,,,,LS2,,ZINC000010254750,CHEMBL1234086,7769,,,,CNS(=O)(=O)CC1=CC=C(N\N=C2/C(=O)NC3=C2C2=C(C=C3)N=CS2)C=C1,"InChI=1S/C17H15N5O3S2/c1-18-27(24,25)8-10-2-4-11(5-3-10)21-22-15-14-12(20-17(15)23)6-7-13-16(14)26-9-19-13/h2-7,9,18,21H,8H2,1H3,(H,20,22,23)",GEWPSTLKJDIUHW-UHFFFAOYSA-N
DB08124,,"3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one",experimental,,,,,,LS3,,ZINC000008552693,CHEMBL1234087,,,,,O=C1NC2=CC=C(C=C2\C1=C\NC1=CC2=C(CS(=O)(=O)C2)C=C1)C1=CN=CO1,"InChI=1S/C20H15N3O4S/c24-20-17(7-22-15-3-1-13-9-28(25,26)10-14(13)5-15)16-6-12(2-4-18(16)23-20)19-8-21-11-27-19/h1-8,11,22H,9-10H2,(H,23,24)/b17-7-",FTQYGMLRLRXBPT-IDUWFGFVSA-N
DB08125,,"4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide",experimental,,,,,,LS4,,ZINC000010254751,CHEMBL1234088,,,,,O=C1NC2=CC=CC=C2\C1=C\NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,"InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-",BOMPRXSVSIPRDT-PTNGSMBKSA-N
DB08126,,"3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole",experimental,,,,,,LS5,,ZINC000006536092,CHEMBL1234089,225316,,,,NC(=N)NS(=O)(=O)C1=CC=C(N\C=C2/C(=O)NC3=C2C=CC=C3)C=C1,"InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9-",DMCRNUMVSATRTP-LCYFTJDESA-N
DB08127,,"1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene",experimental,,,,,,LSR,,ZINC000058639152,,,,,15143646,C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,"InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+",KUEVAPFABUUVHS-AYCKBHPDSA-N
DB08128,,"(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine",experimental,,,,,,LT3,,,,,,,46937127,[H][C@]12CC[C@]([H])(C3=C(C=CC=C13)C(F)(F)F)[C@@]2([H])N,"InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1",HHIJEPNAHYLKPE-RNSXUZJQSA-N
DB08129,,(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol,experimental,,,,,,LT5,,ZINC000001566179,,,,,36688409,[H][C@](O)(CN)C1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2/t8-/m0/s1",RRBRWAPWPGAJMA-QMMMGPOBSA-N
DB08130,,"N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine",experimental,,,,,,LUG,,ZINC000034285190,CHEMBL485945,,,,25023709,NCCNC1=NN=C(O1)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1,"InChI=1S/C16H13F3IN5O/c17-10-3-2-9(15-24-25-16(26-15)22-6-5-21)14(13(10)19)23-12-4-1-8(20)7-11(12)18/h1-4,7,23H,5-6,21H2,(H,22,25)",FPDWDLAITHFTTP-UHFFFAOYSA-N
DB08131,,"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID",experimental,,,,,,LYD,,ZINC000005882138,,,,,135488889,[H][C@](NC(=O)C1=CC=C(CCC2=CNC3=C2C(=O)NC(N)=N3)C=C1)(C(C)C)C(O)=O,"InChI=1S/C20H23N5O4/c1-10(2)15(19(28)29)23-17(26)12-6-3-11(4-7-12)5-8-13-9-22-16-14(13)18(27)25-20(21)24-16/h3-4,6-7,9-10,15H,5,8H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24,25,27)/t15-/m0/s1",MYENGRJSPURSQB-HNNXBMFYSA-N
DB08132,,5-hydroxynaphthalene-1-sulfonamide,experimental,,,,,,LZ2,,ZINC000002242749,CHEMBL457047,24628,,,87031,NS(=O)(=O)C1=C2C=CC=C(O)C2=CC=C1,"InChI=1S/C10H9NO3S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6,12H,(H2,11,13,14)",NFVBVKHGDDDCEA-UHFFFAOYSA-N
DB08133,,N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide,experimental,,,,,,LZ3,,ZINC000015270554,CHEMBL455946,24635,,,9926933,NS(=O)(=O)C1=CC=C(NC(=O)C2=NNC3=C2C=CC=C3)C=C1,"InChI=1S/C14H12N4O3S/c15-22(20,21)10-7-5-9(6-8-10)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18)(H2,15,20,21)",MNHPHKFLWAPNOV-UHFFFAOYSA-N
DB08134,,4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide,experimental,,,,,,LZ4,,ZINC000016052861,CHEMBL487738,24631,,,9994066,NS(=O)(=O)C1=CC=C(NC2=NC(Cl)=CN=C2)C=C1,"InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)",RSNSGNZRUMHXAY-UHFFFAOYSA-N
DB08135,,N-phenyl-1H-pyrazole-3-carboxamide,experimental,,,,,,LZ5,,ZINC000005286379,CHEMBL445420,50109707,,,680935,O=C(NC1=CC=CC=C1)C1=NNC=C1,"InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)",WMZYZYFPPQOFKY-UHFFFAOYSA-N
DB08136,,4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide,experimental,,,,,,LZ7,,,CHEMBL456163,50113282,,,24864077,CC(=O)NC1=CNN=C1C(=O)NC1=CC=C(F)C=C1,"InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19)",CWQKPKYIMQTGJK-UHFFFAOYSA-N
DB08137,,(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide,experimental,,,,,,LZ8,,ZINC000016052860,CHEMBL463580,24643,,,24864078,FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=CC=CC=C2)C=C1,"InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)",ZMWYSLJBNJUCRK-UHFFFAOYSA-N
DB08138,,"{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide",experimental,,,,,,LZ9,,ZINC000016052859,CHEMBL518383,24644,,,24864079,FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=C(F)C=CC=C2F)C=C1,"InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)",BDRDBXXWQDFXEC-UHFFFAOYSA-N
DB08139,,"5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile",experimental,,,,,,LZB,,ZINC000038993085,CHEMBL458926,24632,,,24971312,CC(C)NC1=CC(Cl)=NC2=C(C=NN12)C#N,"InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3",HFTLYNKTSANXFA-UHFFFAOYSA-N
DB08140,,"5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE",experimental,,,,,,LZC,,,CHEMBL509730,24633,,,,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=C(C=NN2C(NC(C)C)=C1)C#N,"InChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)/t12-,13-",FOESVLPZMGVWBM-JOCQHMNTSA-N
DB08141,,"4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide",experimental,,,,,,LZD,,ZINC000016052874,CHEMBL1187319,24650,,,24864082,[H][C@@]1(CCCNC1)NC(=O)C1=NNC=C1NC(=O)C1=C(F)C=CC=C1F,"InChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1",KOMNQBZWMCFDTQ-VIFPVBQESA-N
DB08142,844442-38-2,AT-7519,investigational,,,,,,LZE,,ZINC000016052857,CHEMBL445813,24654,AT 7519,91326,11338033,ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1,"InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)",OVPNQJVDAFNBDN-UHFFFAOYSA-N
DB08143,,"5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE",experimental,,,,,,LZG,,ZINC000038995982,CHEMBL550453,50295595,,,42628063,[H][C@]1(F)CN(CC(=O)NC2=CC=C(C=C2F)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1,"InChI=1S/C22H19ClF2N4O3S/c23-19-7-6-18(33-19)22(32)27-17-11-28(10-15(17)25)12-20(30)26-16-5-4-13(9-14(16)24)29-8-2-1-3-21(29)31/h1-9,15,17H,10-12H2,(H,26,30)(H,27,32)/t15-,17-/m0/s1",SXIYSYYSKHUTQQ-RDJZCZTQSA-N
DB08144,,"6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine",experimental,,,,,,LZJ,,ZINC000013862907,CHEMBL57531,3436,,,5328120,NC1=NC2=NC(N)=C(C=C2C=N1)C1=C(Br)C=CC=C1Br,"InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)",HGIPWJYTPOHUGK-UHFFFAOYSA-N
DB08145,,"6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE",experimental,,,,,,LZK,,ZINC000053683379,CHEMBL1234133,,,,21850055,COC1=CC=CC(OC)=C1C1=CC2=CN=C(N)N=C2N=C1N,"InChI=1S/C15H15N5O2/c1-21-10-4-3-5-11(22-2)12(10)9-6-8-7-18-15(17)20-14(8)19-13(9)16/h3-7H,1-2H3,(H4,16,17,18,19,20)",LRPHIAJXODIASX-UHFFFAOYSA-N
DB08146,,"7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine",experimental,,,,,,LZL,,ZINC000100036409,,,,,46937128,NC1=NC2=C(C=N1)C=C(C1=CC=CC=C1)C(=N2)N1CC=CC1,"InChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21)",QFWNOFXQNCLFBC-UHFFFAOYSA-N
DB08147,,"4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid",experimental,,,,,,LZQ,,ZINC000032090939,CHEMBL1234135,50341992,,,510684,OC(=O)C(=O)CC(=O)C1=CC=CC(=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C24H21NO4/c26-22(15-23(27)24(28)29)20-12-7-13-21(14-20)25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,15-17H2,(H,28,29)",RMWVENXKUQXLPW-UHFFFAOYSA-N
DB08148,,"1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine",experimental,,,,,,M03,,ZINC000016052627,CHEMBL406863,50376063,,,24762195,NCC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C1=CC=C(Cl)C=C1,"InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)18(11-20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)",QOZMRRGNAZNWDN-UHFFFAOYSA-N
DB08149,,"1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine",experimental,,,,,,M04,,ZINC000016052628,CHEMBL260000,50376067,,,11696113,NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1,"InChI=1S/C19H22ClN5/c20-15-3-1-14(2-4-15)11-19(12-21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)",KCWPSUKJCKZEAO-UHFFFAOYSA-N
DB08150,,"4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium",experimental,,,,,,M05,,,,,,,42627562,[NH3+]C1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1,"InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)/p+1",RZIDZIGAXXNODG-UHFFFAOYSA-O
DB08151,,"(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol",experimental,,,,,,M08,,ZINC000038965474,CHEMBL594972,34108,,,44263483,[H][C@]1(CO)O[C@@]2(CC(=NO2)C2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,10-13,16-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1",YLTDNVVQKRHCJP-RKQHYHRCSA-N
DB08152,,{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate,experimental,,,,,,M18,,ZINC000039188026,,,,,24754814,[H][C@@]1(COC(=O)CC2=CC(Cl)=CC=C2)CCCN1C(=O)CNC(=O)OC(C)(C)C,"InChI=1S/C20H27ClN2O5/c1-20(2,3)28-19(26)22-12-17(24)23-9-5-8-16(23)13-27-18(25)11-14-6-4-7-15(21)10-14/h4,6-7,10,16H,5,8-9,11-13H2,1-3H3,(H,22,26)/t16-/m0/s1",ONXGIEJBNQLITK-INIZCTEOSA-N
DB08153,,"(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE",experimental,,,,,,M1S,,ZINC000016052190,,,,,11987878,OC1=CC(O)=C2C(CC(=O)CCCCC\C=C\CCOC2=O)=C1Cl,"InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2/b5-3+",VZTAZMSAAIUZJV-HWKANZROSA-N
DB08154,,3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile,experimental,,,,,,M22,,ZINC000029044989,CHEMBL402823,50478383,,,16045336,ClC1=CC(=CC(OC2=C(Cl)C=CC(OCC3=NNC4=C3C=CC=C4)=C2)=C1)C#N,"InChI=1S/C21H13Cl2N3O2/c22-14-7-13(11-24)8-16(9-14)28-21-10-15(5-6-18(21)23)27-12-20-17-3-1-2-4-19(17)25-26-20/h1-10H,12H2,(H,25,26)",WHCLIFOVZDANCU-UHFFFAOYSA-N
DB08155,,N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE,experimental,,,,,,M25,,ZINC000000188952,,,,,745994,CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)",IIMGUEXQORZTID-UHFFFAOYSA-N
DB08156,,3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID,experimental,,,,,,M28,,ZINC000004362893,CHEMBL451332,29277,,,3161908,NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1,"InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)",JUEONDBIBADVGD-UHFFFAOYSA-N
DB08157,,ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE,experimental,,,,,,M29,,,,,,,16122582,CCOC(=O)CCC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C11H15NO4S/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)17(12,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,12,14,15)",OJBJALUJMRMNIR-UHFFFAOYSA-N
DB08158,,"2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-BETA-D-MANNOPYRANOSIDE",experimental,,,,,,M2F,,,,,,,25195339,[H][C@]1(CO)O[C@@]([H])(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[C@@]([H])(F)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9+,10-,11-,12-/m1/s1",UFSBFVZQJZMIOU-IYKVGLELSA-N
DB08159,,"4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE",experimental,,,,,,M38,,,CHEMBL343336,,,,5288720,OC(=O)CCCN1C2=C(C(=O)C3=CC=CC=C23)C2=CC=CC=C2C1=O,"InChI=1S/C20H15NO4/c22-16(23)10-5-11-21-18-13-7-2-3-8-14(13)19(24)17(18)12-6-1-4-9-15(12)20(21)25/h1-4,6-9H,5,10-11H2,(H,22,23)",AHIJTWCJGCWHMT-UHFFFAOYSA-N
DB08160,,"(2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL",experimental,,,,,,M3C,,ZINC000015894748,,,,,5288721,[H][C@](N)(CCSC)C(O)(O)C1=NC=CS1,"InChI=1S/C8H14N2O2S2/c1-13-4-2-6(9)8(11,12)7-10-3-5-14-7/h3,5-6,11-12H,2,4,9H2,1H3/t6-/m0/s1",NPPGNJAWTLSRQG-LURJTMIESA-N
DB08161,,(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID,experimental,,,,,,M5P,,ZINC000013472467,,,,,24748045,[H][C@](CS)(CCCC1=CC=CC=C1)C(O)=O,"InChI=1S/C12H16O2S/c13-12(14)11(9-15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,13,14)/t11-/m1/s1",HEPZYEZEUMVYDV-LLVKDONJSA-N
DB08162,103745-39-7,Fasudil,investigational,,C04AX32,,,,M77,1132,ZINC000000006486,CHEMBL38380,14027,AT-877,43871,3547,O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2,"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2",NGOGFTYYXHNFQH-UHFFFAOYSA-N
DB08163,,5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine,experimental,,,,,,M8E,,ZINC000053683388,,,,,25181315,[H][C@]1(CN(C)CCCCON)O[C@@]([H])(N2C(C=C)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C17H27N7O4/c1-3-11-22-12-15(18)20-9-21-16(12)24(11)17-14(26)13(25)10(28-17)8-23(2)6-4-5-7-27-19/h3,9-10,13-14,17,25-26H,1,4-8,19H2,2H3,(H2,18,20,21)/t10-,13-,14-,17-/m1/s1",XUKYGMIDWKBMIW-IWCJZZDYSA-N
DB08164,,"(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE",experimental,,,,,,MA9,,ZINC000014958825,CHEMBL1234200,15518,,,16058650,[H][C@]1(N)CN(CC[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=NC=NC(=C1)C1=CC=CC(=C1)S(C)(=O)=O,"InChI=1S/C22H21F3N4O2S/c1-32(30,31)14-4-2-3-13(7-14)21-10-22(28-12-27-21)29-6-5-15(20(26)11-29)16-8-18(24)19(25)9-17(16)23/h2-4,7-10,12,15,20H,5-6,11,26H2,1H3/t15-,20+/m1/s1",GOBIXGZJSMAOFV-QRWLVFNGSA-N
DB08165,,indane-5-sulfonamide,experimental,,,,,,MAJ,,ZINC000000394620,CHEMBL364869,50155556,,,96876,NS(=O)(=O)C1=CC=C2CCCC2=C1,"InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)",XVQJTFMKKZBBSX-UHFFFAOYSA-N
DB08166,,"(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",experimental,,,,,,MB9,,ZINC000024980601,,,,,24851689,[H][C@@]1(C#N)C2=C(N(C)C3=CC(Cl)=CC=C23)C(=O)NC11CCNCC1,"InChI=1S/C17H17ClN4O/c1-22-13-8-10(18)2-3-11(13)14-12(9-19)17(4-6-20-7-5-17)21-16(23)15(14)22/h2-3,8,12,20H,4-7H2,1H3,(H,21,23)/t12-/m1/s1",LPFQFJAOMCGYCP-GFCCVEGCSA-N
DB08167,7060-82-4,Methylthioninium,"['experimental', 'investigational']",,,,1546414,,MBT,,ZINC000012414057,CHEMBL191083,50434369,CI-52015,43830,4139,CN(C)C1=CC2=[S+]C3=CC(=CC=C3N=C2C=C1)N(C)C,"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1",RBTBFTRPCNLSDE-UHFFFAOYSA-N
DB08168,26093-31-2,Coumarin 120,experimental,,,,,,MCM,,ZINC000000057949,CHEMBL270672,71742,,51771,92249,CC1=CC(=O)OC2=C1C=CC(N)=C2,"InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3",GLNDAGDHSLMOKX-UHFFFAOYSA-N
DB08169,,(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide,experimental,,,,,,MD7,,ZINC000100036435,CHEMBL142996,,,,54723327,O\C(C1CC1)=C(\C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17-",CAGGGMPTWTUYHZ-ZCXUNETKSA-N
DB08170,,"(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE",experimental,,,,,,MDW,,ZINC000013588276,,,,,15942651,[H][C@]1(N(CCC2=CC(O)=C(OC)C=C12)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,"InChI=1S/C18H20N2O7S/c1-26-12-3-5-13(6-4-12)28(24,25)20-8-7-11-9-15(21)16(27-2)10-14(11)17(20)18(22)19-23/h3-6,9-10,17,21,23H,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1",AYFCYVLVRYQGME-QGZVFWFLSA-N
DB08171,,11-MERCAPTOUNDECANOIC ACID,experimental,,,,,,MDX,,ZINC000002164257,,,,,543502,OC(=O)CCCCCCCCCCS,"InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)",GWOLZNVIRIHJHB-UHFFFAOYSA-N
DB08172,,(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide,experimental,,,,,,MDY,,ZINC000100036440,CHEMBL483161,,,,54727975,COC1=CC=CC=C1C1=CC(Cl)=C(NC(=O)C(\C#N)=C(\C)O)C=C1,"InChI=1S/C18H15ClN2O3/c1-11(22)14(10-20)18(23)21-16-8-7-12(9-15(16)19)13-5-3-4-6-17(13)24-2/h3-9,22H,1-2H3,(H,21,23)/b14-11-",YUDQXOMZBLEWBH-KAMYIIQDSA-N
DB08173,,5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE,experimental,,,,,,ME1,,ZINC000003948690,CHEMBL232566,50216562,,,10250490,ClC1=CC=C(S1)C(=O)NCCNC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O,"InChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26)",UCKHUNHXYMAFQM-UHFFFAOYSA-N
DB08174,,"5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE",experimental,,,,,,ME5,,ZINC000016052356,CHEMBL233992,50216554,,,9954980,[H][C@]1(CCC[C@]1([H])NC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O)NC(=O)C1=CC=C(Cl)S1,"InChI=1S/C22H20ClN3O3S/c23-19-12-11-18(30-19)22(29)25-17-5-3-4-16(17)24-21(28)14-7-9-15(10-8-14)26-13-2-1-6-20(26)27/h1-2,6-13,16-17H,3-5H2,(H,24,28)(H,25,29)/t16-,17+/m0/s1",QCPYHSAHOYXXQK-DLBZAZTESA-N
DB08175,,"(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID",experimental,,,,,,MEI,,ZINC000002244163,,,,,5288795,COC(C)(C)CCC[C@@](C)([H])C\C=C\C(\C)=C\C(O)=O,"InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1",MNYBEULOKRVZKY-ATCPXPEISA-N
DB08176,,(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE,experimental,,,,,,MFG,,,,,,,,[H]N=C([H])C(=C)CCC1=CC=C(F)C=C1,"InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+",CFVUPEQWSFCCFT-MDWZMJQESA-N
DB08177,,(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID,experimental,,,,,,MFM,,ZINC000002240008,CHEMBL593602,50304611,,,1286536,[H]\C(C1=CC=C(O1)C1=CC=C(Cl)C=C1)=C1/SC(=S)N(CCC(O)=O)C1=O,"InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)13-6-5-12(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9+",YZLFZFALAZYTCI-NTEUORMPSA-N
DB08178,,"4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine",experimental,,,,,,MFR,,ZINC000016052675,CHEMBL270686,50371402,,,23727981,COC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1,"InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17)",GGEWEQJWGGJUHO-UHFFFAOYSA-N
DB08179,,"methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate",experimental,,,,,,MGI,,ZINC000036430941,CHEMBL1234300,50517464,,,11779786,COC(=O)C1=C(C)C=C(OC2=C(O)C(O)=CC(C)=C2)C=C1O,"InChI=1S/C16H16O6/c1-8-4-12(18)15(19)13(5-8)22-10-6-9(2)14(11(17)7-10)16(20)21-3/h4-7,17-19H,1-3H3",BLXSEOJIXHWXQJ-UHFFFAOYSA-N
DB08180,,2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE,experimental,,,,,,MGM,,,CHEMBL71360,50113289,,,447278,CN(CCO[P@@](O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+",OEMBPHBKZPOPBN-NWLVNBMCSA-N
DB08181,,2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID,experimental,,,,,,MHB,,ZINC000006522023,,,,,,CC1=CC(=CC=C1O)\N=N\C1=CC=CC=C1C(O)=O,"InChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)/b16-15+",SBSCJWJICRGLIV-FOCLMDBBSA-N
DB08182,,"4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine",experimental,,,,,,MHR,,ZINC000016052674,CHEMBL270687,50371400,,,23727982,CCCOC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1,"InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)",ZHMRPXZRUZLCNL-UHFFFAOYSA-N
DB08184,,2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE,experimental,,,,,,MI2,,ZINC000024805501,,,,,9547945,CC1=C(C=CC=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N,"InChI=1S/C16H15N3/c1-10-4-2-3-5-13(10)15-9-12-8-11(16(17)18)6-7-14(12)19-15/h2-9,19H,1H3,(H3,17,18)",YOZKTHGEOJHIDP-UHFFFAOYSA-N
DB08185,,2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE,experimental,,,,,,MIA,,ZINC000053683398,,,,,46937130,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=C(SC)N=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C16H26N5O7PS/c1-8(2)4-5-17-13-10-14(20-16(19-13)30-3)21(7-18-10)15-12(23)11(22)9(28-15)6-27-29(24,25)26/h7-9,11-12,15,22-23H,4-6H2,1-3H3,(H,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1",LCHGAOHLDYRACA-SDBHATRESA-N
DB08186,,(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE,experimental,,,,,,MIB,,ZINC000012379249,,,,,736407,CN1C=C(\C=C\C(C)=O)C2=CC=CC=C12,"InChI=1S/C13H13NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3/b8-7+",HCYQBFAGILCNRB-BQYQJAHWSA-N
DB08187,,N-Methylphenylalanyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide,experimental,,,,,,MIN,,ZINC000100036469,CHEMBL125181,50366827,,,,CN[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1,"InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18-,19-,20+/m1/s1",MDSVGJAUFNXYRR-WTGUMLROSA-N
DB08188,149950-60-7,Emivirine,investigational,,,D01055,,,MKC,,ZINC000001536588,CHEMBL35033,2337,EMIVIRINE,44143,65013,CCOCN1C(=O)NC(=O)C(C(C)C)=C1CC1=CC=CC=C1,"InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)",MLILORUFDVLTSP-UHFFFAOYSA-N
DB08190,,N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide,experimental,,,,,,ML2,,ZINC000002516056,CHEMBL289233,29611,,109558,115348,COC1=CC=C2NC(I)=C(CCNC(C)=O)C2=C1,"InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)",FJDDSMSDZHURBJ-UHFFFAOYSA-N
DB08191,,"4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid",experimental,,,,,,MMG,,ZINC000034658192,CHEMBL550795,50296003,,,11544170,OC(=O)C1=CC=C(C=C1)C1=CNC2=C1C=C(C=N2)C1=CC=CC=C1,"InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)",KSFDVNIKNYXUIP-UHFFFAOYSA-N
DB08192,,2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE,experimental,,,,,,MN8,,ZINC000033757789,,,,,46937131,[H][C@]1(CC2=C(CN1)C=CC=C2)C1=NC(C(O)=O)=C(S1)C(C)C,"InChI=1S/C16H18N2O2S/c1-9(2)14-13(16(19)20)18-15(21-14)12-7-10-5-3-4-6-11(10)8-17-12/h3-6,9,12,17H,7-8H2,1-2H3,(H,19,20)/t12-/m0/s1",HCUGCUQZFBURHR-LBPRGKRZSA-N
DB08193,,2-(3-NITROPHENYL)ACETIC ACID,experimental,,,,,,MNP,,ZINC000000156946,CHEMBL139020,,,,15876,OC(=O)CC1=CC(=CC=C1)[N+]([O-])=O,"InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)",WUKHOVCMWXMOOA-UHFFFAOYSA-N
DB08194,,"4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine",experimental,,,,,,MO8,,ZINC000000077255,,,,,2726820,CC1=NC(N)=NC2=C1CSCC2,"InChI=1S/C8H11N3S/c1-5-6-4-12-3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11)",ONZWAEXRMZGFAN-UHFFFAOYSA-N
DB08195,,(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE,experimental,,,,,,MO9,,ZINC000024804779,,,,,9547943,[H][C@@](CS(=O)(=O)CC1=C(OC(F)F)C=CC=C1)(OC(=O)N1CCOCC1)C(=O)NCC#N,"InChI=1S/C18H21F2N3O7S/c19-17(20)29-14-4-2-1-3-13(14)11-31(26,27)12-15(16(24)22-6-5-21)30-18(25)23-7-9-28-10-8-23/h1-4,15,17H,6-12H2,(H,22,24)/t15-/m0/s1",YKWHKILAGONYKL-HNNXBMFYSA-N
DB08196,,"2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID",experimental,,,,,,MOB,,ZINC000038311600,,,,,,COC1=CC(=CC(OC)=C1O)\N=N\C1=CC=CC=C1C(O)=O,"InChI=1S/C15H14N2O5/c1-21-12-7-9(8-13(22-2)14(12)18)16-17-11-6-4-3-5-10(11)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+",OUUSCQGLQHBVJX-WUKNDPDISA-N
DB08197,,"(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime",experimental,,,,,,MOJ,,ZINC000039795246,CHEMBL1234416,,,,46937132,[H][C@]1(C\C(=N/O)C2=C(C1)N=C(N)N=C2C)C1=CC=C(F)C=C1C1=CC=CN=C1,"InChI=1S/C20H18FN5O/c1-11-19-17(25-20(22)24-11)7-13(8-18(19)26-27)15-5-4-14(21)9-16(15)12-3-2-6-23-10-12/h2-6,9-10,13,27H,7-8H2,1H3,(H2,22,24,25)/b26-18+/t13-/m0/s1",KYIXUSLGFINPTC-WVFAEZDRSA-N
DB08198,,"[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE",experimental,,,,,,MOY,,ZINC000034778317,CHEMBL522806,50260279,,,15942673,[H][C@@]1(NC(=S)N(C)C(C)=C1C(=O)C1=CC=CC=C1)C1=CC(O)=CC=C1,"InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1",JGBBILLMZPWNFU-QGZVFWFLSA-N
DB08199,,N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE,experimental,,,,,,MP2,,ZINC000024777153,,,,,15942661,[H][C@@](CS)(NC(=O)OCC1=CC=CC=C1)C(=O)NCC(O)=O,"InChI=1S/C13H16N2O5S/c16-11(17)6-14-12(18)10(8-21)15-13(19)20-7-9-4-2-1-3-5-9/h1-5,10,21H,6-8H2,(H,14,18)(H,15,19)(H,16,17)/t10-/m0/s1",DHTSUHYTYUXMOL-JTQLQIEISA-N
DB08200,,(1R)-menthyl hexyl phosphonate group,experimental,,,,,,MPA,,ZINC000005973163,,,,,446980,CCCCCCP(O)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,"InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1",WAVIZOVSJOXCKT-OWCLPIDISA-N
DB08201,,(1S)-menthyl hexyl phosphonate group,experimental,,,,,,MPC,,ZINC000005973164,,,,,446981,CCCCCCP(O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,"InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1",WAVIZOVSJOXCKT-XHSDSOJGSA-N
DB08202,,4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE,experimental,,,,,,MPX,,ZINC000000467584,,,,,891831,CN1CCN(CC1)NC(=S)NC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C12H19N5O2S2/c1-16-6-8-17(9-7-16)15-12(20)14-10-2-4-11(5-3-10)21(13,18)19/h2-5H,6-9H2,1H3,(H2,13,18,19)(H2,14,15,20)",BPPLIZHQOIGRPZ-UHFFFAOYSA-N
DB08203,,"7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE",experimental,,,,,,MQU,,ZINC000002047733,,,,,447099,COCC(COC)N1C=CC2=C1C=CC1=NC(N)=NC(N)=C21,"InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19)",MQTGHZCEDQNMOZ-UHFFFAOYSA-N
DB08204,,3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE,experimental,,,,,,MR2,,ZINC000006567585,CHEMBL303950,50077849,,,448781,OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC3=C(C=CC1=C23)[N+]([O-])=O)C1=CC=C(O)C=C1,"InChI=1S/C24H15NO6/c26-16-8-4-14(5-9-16)24(15-6-10-17(27)11-7-15)20-12-13-21(25(29)30)18-2-1-3-19(22(18)20)23(28)31-24/h1-13,26-27H",FLWABCQDXUKNQY-UHFFFAOYSA-N
DB08205,,"4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL",experimental,,,,,,MR4,,ZINC000016052438,CHEMBL253359,,,,135566325,CC1=CC(=CC(C)=C1O)C1=NC2=CC=CC=C2O1,"InChI=1S/C15H13NO2/c1-9-7-11(8-10(2)14(9)17)15-16-12-5-3-4-6-13(12)18-15/h3-8,17H,1-2H3",NORYHCMDDBZXDX-UHFFFAOYSA-N
DB08206,,"4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL",experimental,,,,,,MR5,,ZINC000016052439,CHEMBL251932,,,,135566326,OC1=C(Br)C=C(C=C1Br)C1=NC2=C(O1)C=CC=C2,"InChI=1S/C13H7Br2NO2/c14-8-5-7(6-9(15)12(8)17)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H",DMOJYCAJRLAKQW-UHFFFAOYSA-N
DB08207,,"2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE",experimental,,,,,,MR6,,ZINC000016052440,CHEMBL255069,,,,23722944,CC1=CC(=CC(C)=C1)C1=NC2=C(O1)C=CC=C2,"InChI=1S/C15H13NO/c1-10-7-11(2)9-12(8-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3",BIHLSRJPJFOESJ-UHFFFAOYSA-N
DB08208,,"2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE",experimental,,,,,,MRA,,ZINC000003816828,,,,,10150081,OCCONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(C=C1F)C#C,"InChI=1S/C17H13F3N2O3/c1-2-10-3-6-14(13(19)9-10)21-16-11(4-5-12(18)15(16)20)17(24)22-25-8-7-23/h1,3-6,9,21,23H,7-8H2,(H,22,24)",AMNKRBRQQAMACZ-UHFFFAOYSA-N
DB08209,493-52-7,Methyl red,experimental,,,,,,MRE,,ZINC000003877658,CHEMBL375971,50206443,,49770,,CN(C)C1=CC=C(C=C1)\N=N\C1=CC=CC=C1C(O)=O,"InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+",CEQFOVLGLXCDCX-WUKNDPDISA-N
DB08210,,"2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE",experimental,,,,,,MRK,,ZINC000005893340,CHEMBL608393,34071,,,449003,CN1C=CN=C1SC1=CC(C(=O)NC2=NC=CS2)=C(N)C=C1F,"InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)",YUCYMQBDBXVNCE-UHFFFAOYSA-N
DB08211,,5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide,experimental,,,,,,MRX,,ZINC000016052527,CHEMBL253629,50477948,,,11984575,NC(=O)C1=C(C2=CC(Br)=CC=C2N1)S(=O)(=O)N1CCCC1,"InChI=1S/C13H14BrN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18)",FEPUPYVRZUWCQB-UHFFFAOYSA-N
DB08212,,1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA,experimental,,,,,,MSD,,ZINC000013685243,,,,,3000663,[H][C@]1(C[C@]1([H])C1=C(OC)C=CC(C(C)=O)=C1O)NC(=S)NC1=NC=C(C=C1)C#N,"InChI=1S/C19H18N4O3S/c1-10(24)12-4-5-15(26-2)17(18(12)25)13-7-14(13)22-19(27)23-16-6-3-11(8-20)9-21-16/h3-6,9,13-14,25H,7H2,1-2H3,(H2,21,22,23,27)/t13-,14+/m0/s1",FSRLCMRWYUJTNT-UONOGXRCSA-N
DB08213,,"1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE",experimental,,,,,,MSI,,ZINC000003870526,CHEMBL293034,10320,,,5288850,[H][C@@]1(COC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C(=O)C2=O,"InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1",PFAYCUAUBOGVDX-AWEZNQCLSA-N
DB08214,,4-(1H-IMIDAZOL-1-YL)PHENOL,experimental,,,,,,MSR,,ZINC000000066090,CHEMBL275339,105193,,,82315,OC1=CC=C(C=C1)N1C=CN=C1,"InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H",CYKCUAPYWQDIKR-UHFFFAOYSA-N
DB08215,886-50-0,Terbutryn,experimental,,,,,,MST,,ZINC000002008092,CHEMBL1234490,,,44156,13450,CCNC1=NC(SC)=NC(NC(C)(C)C)=N1,"InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",IROINLKCQGIITA-UHFFFAOYSA-N
DB08216,,2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID,experimental,,,,,,MTB,,ZINC000038187964,,,,,,CC(C)(C)C1=CC(=CC=C1O)\N=N\C1=CC=CC=C1C(O)=O,"InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+",RLAQYNIYEMUFPA-VHEBQXMUSA-N
DB08217,,"S-[(1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",experimental,,,,,,MTN,,ZINC000002569540,,,,,40428878,CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1O,"InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3",MXZPGYFBZHBAQM-UHFFFAOYSA-N
DB08218,,"HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM",experimental,,,,,,MTW,,ZINC000103550302,,,,,,O=N(=O)C1=CC=CC(=C1)\N=C1\N=CCC(=N1)C1=CC=CC(CN2C=NC=N2)=C1,"InChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-6,8-10,12-13H,7,11H2/b23-19-",PLQVWKCQWFFUFJ-NMWGTECJSA-N
DB08219,1059105-22-4,"4-Methyl-5-[(2Z)-2-{[4-(4-morpholinyl)phenyl]imino}-2,5-dihydro-4-pyrimidinyl]-1,3-thiazol-2-amine",experimental,,,,,,MTZ,,ZINC000103550310,,,,,,CC1=C(SC(N)=N1)C1=N\C(=N/C2=CC=C(C=C2)N2CCOCC2)N=CC1,"InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18-",RPSZSAKYXPWBRR-PYCFMQQDSA-N
DB08220,,"(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid",experimental,,,,,,MUF,,ZINC000003803450,,,,,9845059,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1,"InChI=1S/C27H32O4/c1-26-13-11-17(25(30)31)15-18(26)5-8-20-21-9-10-23(27(21,2)14-12-22(20)26)24(29)16-3-6-19(28)7-4-16/h3-7,15,20-23,28H,8-14H2,1-2H3,(H,30,31)/t20-,21-,22-,23+,26-,27-/m0/s1",RPNNXCYIESWDSC-JRZBRKEGSA-N
DB08221,,N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE,experimental,,,,,,MUH,,ZINC000008582034,CHEMBL245549,50207861,,,16040281,CC1=CC=C(NC(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1NC1=NC=CC=C1C1=CC=NC=N1,"InChI=1S/C24H18F3N5O/c1-15-7-8-18(31-23(33)16-4-2-5-17(12-16)24(25,26)27)13-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33)",NESXBRNDMQUVNG-UHFFFAOYSA-N
DB08222,,METHOXYUNDECYLPHOSPHINIC ACID,experimental,,,,,,MUP,,ZINC000002043208,,,,,446977,CCCCCCCCCCC[P@@](O)(=O)OC,"InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)",JBVUSHKPEBKWQP-UHFFFAOYSA-N
DB08223,,"N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE",experimental,,,,,,MUV,,ZINC000016052394,CHEMBL456929,81673,,,15947913,[H][C@@](O)(CN(CC1CC1)S(=O)(=O)C1=CC=CO1)[C@]([H])(CC1=CC=CC=C1)NC(=O)CCC(=O)NC,"InChI=1S/C23H31N3O6S/c1-24-21(28)11-12-22(29)25-19(14-17-6-3-2-4-7-17)20(27)16-26(15-18-9-10-18)33(30,31)23-8-5-13-32-23/h2-8,13,18-20,27H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1",IKOPFHKAECNGQI-VQTJNVASSA-N
DB08224,,"(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL",experimental,,,,,,MVB,,ZINC000006416565,,,,,4369567,[H][C@]1(O)CC(=O)O[C@@]([H])(CC[C@@]2([H])[C@@]([H])(C)C=CC3=CCC[C@]([H])(O)[C@]23[H])C1,"InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14-,15-,16-,18-/m0/s1",WWSNTLOVYSRDEL-TVKPWXLESA-N
DB08226,,Myxopyronin B,experimental,,,,,,MXP,,ZINC000028382402,CHEMBL184023,,,,135424464,CCCC\C(C)=C\C=C(/C)C(=O)C1=C(O)C=C(CCC\C=C\NC(=O)OC)OC1=O,"InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+",QBIHIGNYQFSBGW-NOTXRLOZSA-N
DB08227,,"1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE",experimental,,,,,,MXT,,ZINC000005762138,,,,,19989057,CC1(C)CC(CC(C)(C)N1O)N1C(=O)CCC1=O,"InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3",ZHMZILPINCAHPK-UHFFFAOYSA-N
DB08228,,"5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one",experimental,,,,,,MXX,,ZINC000001423886,CHEMBL490867,29223,,,1504717,COC1=C2N(C)C(=O)C=C(C)C2=C(OC)C=C1,"InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3",FTGZPMFPUDKJBX-UHFFFAOYSA-N
DB08229,,[N-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid,experimental,,,,,,MY1,,ZINC000053683031,,,,,46937133,[H]N([H])N(CC(O)=O)C(=O)CC([H])(O)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1",JGMMFVVACJREFE-KRWDZBQOSA-N
DB08230,520-31-0,Tricetin,experimental,,,,1994358,,MYF,,ZINC000013520048,CHEMBL247484,26656,,507499,5281701,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H",ARSRJFRKVXALTF-UHFFFAOYSA-N
DB08231,544-63-8,Myristic acid,experimental,,,,1356758,,MYR,,ZINC000001530417,CHEMBL111077,50147581,MYRISTIC ACID,28875,11005,CCCCCCCCCCCCCC(O)=O,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",TUNFSRHWOTWDNC-UHFFFAOYSA-N
DB08232,,"[5-(5-Amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-3-biphenylyl]acetic acid",experimental,,,,,,N1H,,ZINC000014953807,CHEMBL377956,13781,,,135431470,NC1=CC=C2NC(=CC2=N1)C1=CC(CC(O)=O)=CC(=C1O)C1=CC=CC(=C1)[N+]([O-])=O,"InChI=1S/C21H16N4O5/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(9-12)25(29)30/h1-7,9-10,23,28H,8H2,(H2,22,24)(H,26,27)",BVBGZXXLVHYBKI-UHFFFAOYSA-N
DB08233,,6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE,experimental,,,,,,N20,,ZINC000020149015,CHEMBL340813,5541,,,447649,OC1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,"InChI=1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23)",RFSDQDHHBKYQOD-UHFFFAOYSA-N
DB08234,,"5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine",experimental,,,,,,N22,,,CHEMBL485961,26519,,,25058133,CCC1=NC(N)=NC(N)=C1C#CCC1=CC(OC)=CC=C1OC,"InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21)",NNFDQABYXZBKRK-UHFFFAOYSA-N
DB08235,,N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide,experimental,,,,,,N23,,ZINC000000140471,CHEMBL1234574,,,,588963,CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1,"InChI=1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)",ACAKNPKRLPMONU-UHFFFAOYSA-N
DB08236,,"(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one",experimental,,,,,,N24,,ZINC000002949834,,,,,44129612,[H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1,"InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1",KEGQNJITMFBVAC-HNNXBMFYSA-N
DB08237,,2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate),experimental,,,,,,N2G,,ZINC000053683033,,,,,135908259,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=NC2=C1N=C(NCC1=CC=CC3=C1C=CC=C3)NC2=O,"InChI=1S/C21H22N5O7P/c27-15-8-17(33-16(15)10-32-34(29,30)31)26-11-23-18-19(26)24-21(25-20(18)28)22-9-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15-17,27H,8-10H2,(H2,29,30,31)(H2,22,24,25,28)/t15-,16+,17+/m0/s1",COMPKRGNHXOXMN-GVDBMIGSSA-N
DB08238,119-79-9,5-aminonaphthalene-2-sulfonic acid,experimental,,,,,,N2M,,ZINC000001680645,CHEMBL1234578,,,44188,15939606,NC1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O,"InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)",UWPJYQYRSWYIGZ-UHFFFAOYSA-N
DB08239,,"(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE",experimental,,,,,,N2T,,ZINC000013982377,CHEMBL205437,24054,,,11675645,[H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)C1=CC(F)=CC=C1F)C1=CC=CC=C1,"InChI=1S/C23H25F2N3O/c1-27(19-9-11-26-12-10-19)23(29)28-15-17(20-14-18(24)7-8-21(20)25)13-22(28)16-5-3-2-4-6-16/h2-8,13-14,19,22,26H,9-12,15H2,1H3/t22-/m0/s1",NKLVBHMAIMEVEH-QFIPXVFZSA-N
DB08240,,N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE,experimental,,,,,,N3P,,ZINC000002168663,CHEMBL1234585,,,,87517,OP(O)(=O)OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=C(Cl)C=C1,"InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)",RQAQWBFHPMSXKR-UHFFFAOYSA-N
DB08241,,4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE,experimental,,,,,,N41,,ZINC000005933198,CHEMBL121941,5551,,,447656,NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,"InChI=1S/C19H22N6O2/c20-16(26)13-6-8-14(9-7-13)23-19-24-17-15(21-11-22-17)18(25-19)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,26)(H2,21,22,23,24,25)",RUUOIINPNMNPIU-UHFFFAOYSA-N
DB08242,,"N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide",experimental,,,,,,N4D,,ZINC000003926710,CHEMBL410668,50331619,,,23400214,CNC(=O)C1=CC(NC2=C3C=NN(C3=NC=N2)C2=CC=CC=C2)=C(C)C=C1,"InChI=1S/C20H18N6O/c1-13-8-9-14(20(27)21-2)10-17(13)25-18-16-11-24-26(19(16)23-12-22-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,27)(H,22,23,25)",OYTBZXSFNNAVKU-UHFFFAOYSA-N
DB08244,,"(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE",experimental,,,,,,N4T,,ZINC000013982540,CHEMBL204459,24060,,,6102824,[H][C@](N)(C1CC1)C(=O)N1CC(=C[C@@]1([H])C1=CC=CC=C1)C1=CC(F)=CC=C1F,"InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1",VCOUEHUEFUDZIS-PMACEKPBSA-N
DB08245,,1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE,experimental,,,,,,N5I,,ZINC000053683036,,,,,46937135,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=CC2=CC(=CC=C12)[N+]([O-])=O,"InChI=1S/C13H15N2O8P/c16-11-6-13(23-12(11)7-22-24(19,20)21)14-4-3-8-5-9(15(17)18)1-2-10(8)14/h1-5,11-13,16H,6-7H2,(H2,19,20,21)/t11-,12+,13+/m0/s1",FQCJFJRLZCIFHB-YNEHKIRRSA-N
DB08246,,"(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE",experimental,,,,,,N5T,,ZINC000028572638,CHEMBL380955,24052,,,11840968,[H][C@]1(C=C(CN1C(=O)N(C)C)C1=CC(F)=CC=C1F)C1=CC=CC=C1,"InChI=1S/C19H18F2N2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3/t18-/m0/s1",WFFMEXQHWXEKBV-SFHVURJKSA-N
DB08247,,6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE,experimental,,,,,,N69,,ZINC000016051612,CHEMBL1234593,50495360,,,9547890,CC(C)C1=NC2=C(OCC3CCCCC3)N=C(N)N=C2N1,"InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20)",JABXNQUXGJTKRO-UHFFFAOYSA-N
DB08248,,3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE,experimental,,,,,,N76,,ZINC000020149014,CHEMBL123368,5550,,,447655,NS(=O)(=O)C1=CC=CC(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)=C1,"InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-4-7-13(9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,19,25,26)(H2,20,21,22,23,24)",BKDUVKJYBJDZQW-UHFFFAOYSA-N
DB08249,,"3,6,9,12,15-PENTAOXATRICOSAN-1-OL",experimental,,,,,,N8E,,ZINC000016051619,,,,,159866,CCCCCCCCOCCOCCOCCOCCOCCO,"InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3",MJELOWOAIAAUJT-UHFFFAOYSA-N
DB08250,,"(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE",experimental,,,,,,N9H,,ZINC000036184659,,,,,23586165,CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1,"InChI=1S/C21H24F2N4O/c1-2-25-20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(26-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,2,6,11-12,14,24H2,1H3,(H,25,28)/t21-/m0/s1",OQMVLDZJPRSNOG-NRFANRHFSA-N
DB08251,,4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID,experimental,,,,,,NA4,,ZINC000000026888,CHEMBL310554,10658,,,5288878,[H][C@@](CC(O)=O)(NC(=O)C1=CN=CC(=C1)C1=CC=C(C=C1)C(O)=O)C=O,"InChI=1S/C17H14N2O6/c20-9-14(6-15(21)22)19-16(23)13-5-12(7-18-8-13)10-1-3-11(4-2-10)17(24)25/h1-5,7-9,14H,6H2,(H,19,23)(H,21,22)(H,24,25)/t14-/m0/s1",JNRAPROKLOUIRA-AWEZNQCLSA-N
DB08252,,2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID,experimental,,,,,,NAB,,ZINC000004954387,,,,,,OC(=O)C1=CC=CC=C1\N=N\C1=C2C=CC=CC2=C(O)C=C1,"InChI=1S/C17H12N2O3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)/b19-18+",SXAUIPSOPPASFY-VHEBQXMUSA-N
DB08253,,NAM NAPTHYLAMINOALANINE,experimental,,,,,,,,,,,,,5288981,[H][C@](N)(CC1=CC=CC2=C1C=CC=C2)C(N)=O,"InChI=1S/C13H14N2O/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H2,15,16)/t12-/m0/s1",DGFMSNJYBBNHCX-LBPRGKRZSA-N
DB08254,120-18-3,2-Naphthalenesulfonic acid,experimental,,,,,,NAS,,ZINC000001554037,CHEMBL1234624,,,44229,8420,OS(=O)(=O)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)",KVBGVZZKJNLNJU-UHFFFAOYSA-N
DB08255,,"(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL",experimental,,,,,,NB1,,ZINC000016052203,CHEMBL1213604,50323696,,,11507040,[H][C@]12O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(CCC)S2,"InChI=1S/C10H17NO4S/c1-2-3-6-11-7-9(14)8(13)5(4-12)15-10(7)16-6/h5,7-10,12-14H,2-4H2,1H3/t5-,7-,8-,9-,10-/m1/s1",QWOPEBCGKASVQP-QXOHVQIXSA-N
DB08256,,N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE,experimental,,,,,,NC3,,ZINC000006691828,CHEMBL66380,50143914,,,4149241,OC(=O)CNC(=O)NC1CCCCC1,"InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)",NVORCMBCUHQRDL-UHFFFAOYSA-N
DB08257,,4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID,experimental,,,,,,NC4,,ZINC000008754389,CHEMBL219695,50192936,,,6420119,OC(=O)CCCNC(=O)NC1CCCCC1,"InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)",WSVFRGGLURJIMG-UHFFFAOYSA-N
DB08258,,6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID,experimental,,,,,,NC6,,ZINC000013493677,CHEMBL434374,50192966,,,6420120,OC(=O)CCCCCNC(=O)NC1CCCCC1,"InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)",KFTVEPYSUSWBRD-UHFFFAOYSA-N
DB08259,,7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID,experimental,,,,,,NC7,,ZINC000013493757,,,,,6420121,OC(=O)CCCCCCNC(=O)NC1CCCCC1,"InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)",GYTIWWDVOFXKPF-UHFFFAOYSA-N
DB08260,,"(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide",experimental,,,,,,NCW,,ZINC000053683045,,,,,24963032,[H][C@@]12CO[C@@]([H])(N1C(=S)NCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O,"InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15(22)17-10-9-21-14(17)13(20)12(19)11(10)18/h10-14,18-20H,2-9H2,1H3,(H,16,22)/t10-,11+,12-,13+,14+/m0/s1",LFSNQOFOMJLHIW-MEBFFEOJSA-N
DB08261,,"2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester",experimental,,,,,,NCZ,,ZINC000100036551,CHEMBL291386,,,,,[H][C@]1(O)C=C[C@@]([H])(O)[C@]1([H])OC(=O)C1=C(O)C=CC2=C(C)C=C(OC)C=C12,"InChI=1S/C18H18O6/c1-9-7-10(23-2)8-12-11(9)3-4-13(19)16(12)18(22)24-17-14(20)5-6-15(17)21/h3-8,14-15,17,19-21H,1-2H3/t14-,15+,17+",XILHLKXLRFUQFI-QLPKVWCKSA-N
DB08262,1141-38-4,"2,6-dicarboxynaphthalene",experimental,,,,,,NDD,,ZINC000000156288,CHEMBL1205452,,,44460,14357,OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O,"InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)",RXOHFPCZGPKIRD-UHFFFAOYSA-N
DB08263,856680-67-6,N-(carboxycarbonyl)-D-phenylalanine,experimental,,,,,,NDF,,ZINC000026637924,CHEMBL486146,26107,,,5288998,[H][C@](CC1=CC=CC=C1)(NC(=O)C(O)=O)C(O)=O,"InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1",ULQWGBCNOHBNDB-MRVPVSSYSA-N
DB08264,,"(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene",experimental,,,,,,NDH,,ZINC000000388541,,,,44343,440294,[H][C@]1(O)C=CC2=C(C=CC=C2)[C@@]1([H])O,"InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1",QPUHWUSUBHNZCG-VHSXEESVSA-N
DB08265,,"2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL",experimental,,,,,,NDT,,ZINC000169748506,CHEMBL168634,,,83945,481709,CC1=CC=C(C=C1)S(=O)(=O)N1N=CC2=C(C=CC=C2)B1O,"InChI=1S/C14H13BN2O3S/c1-11-6-8-13(9-7-11)21(19,20)17-15(18)14-5-3-2-4-12(14)10-16-17/h2-10,18H,1H3",UQIDNSKBUXCODH-UHFFFAOYSA-N
DB08266,,"Methyl [(1E,5R)-5-{3-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate",experimental,,,,,,NE6,,,,,,,131704307,[H]\C(CCC[C@@]([H])(C)C1=CC(=O)C([H])(C(=O)C(\C)=C(/[H])\C(\[H])=C(/C)CCC)C(=O)O1)=N/C(=O)OC,"InChI=1S/C23H31NO6/c1-6-9-15(2)11-12-17(4)21(26)20-18(25)14-19(30-22(20)27)16(3)10-7-8-13-24-23(28)29-5/h11-14,16,20H,6-10H2,1-5H3/b15-11+,17-12+,24-13+/t16-,20?/m1/s1",LTDLIPXLSBMTFP-FSAISGGASA-N
DB08267,,"6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",experimental,,,,,,NE8,,ZINC000033836604,,,,,135438475,NC1=NC2=C(C=C3NC=NC3=C2CCC2=CC=CC=C2)C(=O)N1,"InChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)",PBZAIUVFRISTSZ-UHFFFAOYSA-N
DB08268,,"6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE",experimental,,,,,,NEZ,,ZINC000016051686,,,,,135414394,CC1=CC=C(CCC2=C3N=CNC3=CC3=C2N=C(N)NC3=O)C=C1,"InChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24)",SPVJRTJUEVXOMS-UHFFFAOYSA-N
DB08270,,"N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE",experimental,,,,,,NFT,,ZINC000016051593,,,,,46937137,[H][C@@](CC(C)C)(N[C@@]([H])(C1=CC=C(C=C1)C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F)C(=O)NCCN,"InChI=1S/C22H29F3N4O3S/c1-14(2)13-19(21(30)28-12-11-26)29-20(22(23,24)25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)33(27,31)32/h3-10,14,19-20,29H,11-13,26H2,1-2H3,(H,28,30)(H2,27,31,32)/t19-,20-/m0/s1",QPXXBNKMAHUXBB-PMACEKPBSA-N
DB08271,,N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID,experimental,,,,,,NGH,,ZINC000003818629,CHEMBL311932,13080,,,448002,COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO,"InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)",JIRXORZYIXSWOB-UHFFFAOYSA-N
DB08272,,(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID,experimental,,,,,,NHL,,ZINC000013491561,CHEMBL435982,50118891,,,9817372,[H][C@@](N)(C[C@]([H])(CC1=CC2=CC=CC=C2C=C1)C(O)=O)C(O)=O,"InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1",YDWIUFASTTZKNI-UONOGXRCSA-N
DB08273,,4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION,experimental,,,,,,NIP,,,,,,,46937138,OC1=C(C=C(CC(=O)NCCCCCC([O-])=O)C=C1I)[N+]([O-])=O,"InChI=1S/C14H17IN2O6/c15-10-6-9(7-11(14(10)21)17(22)23)8-12(18)16-5-3-1-2-4-13(19)20/h6-7,21H,1-5,8H2,(H,16,18)(H,19,20)/p-1",LKGGMBQFWIIXJM-UHFFFAOYSA-M
DB08274,,"6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE",experimental,,,,,,NIU,,ZINC000013741430,,,,,54708746,[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(CCCCC2)OC1=O,"InChI=1S/C19H22O3/c1-2-14(13-9-5-3-6-10-13)17-18(20)15-11-7-4-8-12-16(15)22-19(17)21/h3,5-6,9-10,14,20H,2,4,7-8,11-12H2,1H3/t14-/m0/s1",YKJXQZGJGDTEOC-AWEZNQCLSA-N
DB08275,,N-DODECANOYL-L-TYROSINE,experimental,,,,,,NLT,,,,,,,6710104,[H][C@@](CC1=CC=C(O)C=C1)(NC(=O)CCCCCCCCCCC)C(O)=O,"InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-11-20(24)22-19(21(25)26)16-17-12-14-18(23)15-13-17/h12-15,19,23H,2-11,16H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1",SVQAZCRYIXURJT-IBGZPJMESA-N
DB08276,,trifluoro-[hydroxy-[hydroxy-[2-(N-methyl-2-nitro-anilino)ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium(1-),experimental,,,,,,NMQ,,,,,,,,CN(CCO[P@](O)(=O)O[P@@](O)(=O)O[Be-](F)(F)F)C1=CC=CC=C1[N+]([O-])=O,"InChI=1S/C9H14N2O9P2.Be.3FH/c1-10(8-4-2-3-5-9(8)11(12)13)6-7-19-22(17,18)20-21(14,15)16;;;;/h2-5H,6-7H2,1H3,(H,17,18)(H2,14,15,16);;3*1H/q;+3;;;/p-4",LIFJVXDWLUOXQS-UHFFFAOYSA-J
DB08277,,"2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE",experimental,,,,,,NN1,,ZINC000100036563,,,,,,[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=C(Cl)C=C(F)C=C1)S(C)(=O)=O,"InChI=1S/C21H27ClFNO4S/c1-20(2,28-17-5-4-15(23)8-16(17)22)19(25)24-18-13-6-12-7-14(18)11-21(9-12,10-13)29(3,26)27/h4-5,8,12-14,18H,6-7,9-11H2,1-3H3,(H,24,25)/t12-,13-,14+,18-,21-",ULLPKOZNMAWTIP-JGSHYQHOSA-N
DB08278,477931-14-9,"1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxy-2(1H)-quinolinone",experimental,,,,,,NN2,,ZINC000100036569,CHEMBL372357,50181559,,,135435181,OC1=C(C(=O)N(CCC2CC2)C2=C1C=C(F)C=C2)C1=NS(=O)(=O)C2=C(N1)C=CC=C2,"InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)",QEMCDXCXSVPAAB-UHFFFAOYSA-N
DB08279,,3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,NN3,,ZINC000100036573,CHEMBL561360,35554,,,,[H][C@]1(C)CC[C@@]([H])(CC1)C(=O)N(C(C)C)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)/t15-,17-",RZXQBIKGWSLVEK-JCNLHEQBSA-N
DB08280,,"(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE",experimental,,,,,,NN4,,ZINC000100036578,,,,,,[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=CC=C(OC)C=C1)C(N)=O,"InChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13-,14-,15+,18-,22-",MNVKIDPRYUGTTG-YINOZDTMSA-N
DB08281,,"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate",experimental,,,,,,NNB,,ZINC000018415445,CHEMBL191190,,,,5278689,BrC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1,"InChI=1S/C17H13BrN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)",BDVAWAILQCYMQE-UHFFFAOYSA-N
DB08282,,"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate",experimental,,,,,,NNC,,ZINC000013980686,CHEMBL191141,,,,5278688,ClC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1,"InChI=1S/C17H13ClN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)",BWRRXOIACQYNEK-UHFFFAOYSA-N
DB08283,,"(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL",experimental,,,,,,NND,,ZINC000014253608,CHEMBL408500,18358,,76399,501640,[H][C@]1(O)CN(CCCCCCCCC)[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1",FTSCEGKYKXESFF-LXTVHRRPSA-N
DB08284,,"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate",experimental,,,,,,NNI,,ZINC000013644801,CHEMBL191910,50168052,,,5278690,IC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1,"InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)",CYYIBMGIJWXZEP-UHFFFAOYSA-N
DB08285,,"(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol",experimental,,,,,,NNN,,,CHEMBL482193,27217,,,25190761,[H][C@@](CC)(CO)NC1=NC2=C(C=NN2C(NCC2=CC=CC=C2)=N1)C(C)C,"InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1",SQUNOCMDMIQIQK-OAHLLOKOSA-N
DB08286,2976-75-2,1-Naphthoxyacetic acid,experimental,,,,,,NOA,,ZINC000000038389,CHEMBL1234781,,,44588,76313,OC(=O)COC1=CC=CC2=CC=CC=C12,"InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)",GHRYSOFWKRRLMI-UHFFFAOYSA-N
DB08287,,"(1R,2R)-N-(2-Aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide",experimental,,,,,,NOQ,,ZINC000016052009,,,,,11840970,[H][C@@]1(CS(=O)(=O)C2=CC=C(OC)C=C2)CCCC[C@@]1([H])C(=O)NCCN,"InChI=1S/C17H26N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1",QTGNVZPFJQOWFL-XJKSGUPXSA-N
DB08288,,CYCLOHEXYL-NORSTATINE,experimental,,,,,,NOR,,ZINC000005977113,,,,,5289045,[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)C(=O)OC(C)C,"InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1",GSYSEQUYQXPNHH-NWDGAFQWSA-N
DB08289,,N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE,experimental,,,,,,NOX,,ZINC000006251339,,,,44598,3256857,OC(=O)CCCC(=O)NC1=CC=C(CC[N+]2([O-])CCCCC2)C=C1,"InChI=1S/C18H26N2O4/c21-17(5-4-6-18(22)23)19-16-9-7-15(8-10-16)11-14-20(24)12-2-1-3-13-20/h7-10H,1-6,11-14H2,(H,19,21)(H,22,23)",RKJXWOJUCCBWSC-UHFFFAOYSA-N
DB08291,,N-(3-AMINOPROPYL)-2-NITROBENZENAMINE,experimental,,,,,,NP2,,ZINC000004045568,CHEMBL1234797,,,,3581192,NCCCNC1=CC=CC=C1[N+]([O-])=O,"InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2",GVGDDEYVTBKACE-UHFFFAOYSA-N
DB08292,,"(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE",experimental,,,,,,NP4,,ZINC000036966122,,68260,,,11963551,OC1=CC(O)=C2C(CC(=O)CCC\C=C/CCOC2=O)=C1Cl,"InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-",AQKZYZQONWDDLS-IWQZZHSRSA-N
DB08293,,"(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE",experimental,,,,,,NP5,,ZINC000036966121,,68261,,,11963552,OC1=CC(O)=C2C(CC(=O)CCC\C=C\CCOC2=O)=C1Cl,"InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+",AQKZYZQONWDDLS-HNQUOIGGSA-N
DB08294,,2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID,experimental,,,,,,NPA,,ZINC000003861564,CHEMBL501822,,,546274,447364,OC(=O)CC1=CC(=C(O)C=C1)[N+]([O-])=O,"InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)",QBHBHOSRLDPIHG-UHFFFAOYSA-N
DB08295,,4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION,experimental,,,,,,NPC,,,,,,44515,3256859,OC1=C(C=C(CC(=O)NCCCCCC([O-])=O)C=C1)[N+]([O-])=O,"InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)/p-1",XAYGJFACOIKJCT-UHFFFAOYSA-M
DB08296,,5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID,experimental,,,,,,NPE,,,,,,44480,3256861,OC(=O)CCCC[P@]([O-])(=O)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C11H14NO7P/c13-11(14)3-1-2-8-20(17,18)19-10-6-4-9(5-7-10)12(15)16/h4-7H,1-3,8H2,(H,13,14)(H,17,18)/p-1",XVVZSEXTAACTPS-UHFFFAOYSA-M
DB08297,,ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE,experimental,,,,,,NPF,,ZINC000006031723,,,,44419,150889,[H][C@]1(C)O[C@@]([H])(OC2=CC=CC=C2[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,"InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1",SWRPIVXPHLYETN-BVWHHUJWSA-N
DB08299,,"4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid",experimental,,,,,,NPV,,,CHEMBL74078,50085135,,,9999276,OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1,"InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)",QTNUWEKKZHSUQO-UHFFFAOYSA-N
DB08300,,"1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",experimental,,,,,,NPZ,,ZINC000020149030,CHEMBL1234815,123756,,,24905144,CN1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)",UOKGZPYGRJDACN-UHFFFAOYSA-N
DB08301,,N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE,experimental,,,,,,NR2,,ZINC000026474822,CHEMBL78755,50349858,,,6852128,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)",HDCXQTPVTAIPNZ-UHFFFAOYSA-N
DB08302,,3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid,experimental,,,,,,NRO,,ZINC000006050692,,,,,6006216,CCC\C(=C\C1=CC=C(O1)C1=CC(=CC=C1)C(O)=O)[N+]([O-])=O,"InChI=1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10-",IRHZCQDCMUWUKV-RAXLEYEMSA-N
DB08303,,"(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide",experimental,,,,,,NS3,,ZINC000053683061,,,,,44129629,[H][C@@]1(NC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1,"InChI=1S/C18H28N4O4S2/c1-13-11-15-17(27(23,24)20-18(19-15)14-5-3-4-6-14)12-16(13)28(25,26)22-9-7-21(2)8-10-22/h11-12,14,18-20H,3-10H2,1-2H3/t18-/m0/s1",CUMKMTBOHBENJI-SFHVURJKSA-N
DB08304,,"(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide",experimental,,,,,,NS6,,ZINC000038397218,,,,,44129630,[H][C@@]1(CC2=C(C=C(C=C2)S(=O)(=O)N2CCN(C)CC2)S(=O)(=O)N1)C1CCCC1,"InChI=1S/C18H27N3O4S2/c1-20-8-10-21(11-9-20)27(24,25)16-7-6-15-12-17(14-4-2-3-5-14)19-26(22,23)18(15)13-16/h6-7,13-14,17,19H,2-5,8-12H2,1H3/t17-/m1/s1",QZBQVXXESPXFPZ-QGZVFWFLSA-N
DB08305,,"(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide",experimental,,,,,,NS7,,ZINC000039286895,,,,,44129631,[H][C@@]1(CC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1,"InChI=1S/C19H29N3O4S2/c1-14-11-16-12-17(15-5-3-4-6-15)20-27(23,24)19(16)13-18(14)28(25,26)22-9-7-21(2)8-10-22/h11,13,15,17,20H,3-10,12H2,1-2H3/t17-/m1/s1",KQAGZLQCEURCKJ-QGZVFWFLSA-N
DB08306,850635-41-5,3-[(3-Nitrophenyl)sulfamoyl]-2-thiophenecarboxylic acid,experimental,,,,,,NST,,ZINC000003881295,,,,,657105,[H]N(C1=CC(=CC=C1)[N+]([O-])=O)S(=O)(=O)C1=C(SC=C1)C(O)=O,"InChI=1S/C11H8N2O6S2/c14-11(15)10-9(4-5-20-10)21(18,19)12-7-2-1-3-8(6-7)13(16)17/h1-6,12H,(H,14,15)",CITCNTPVKZFUAJ-UHFFFAOYSA-N
DB08307,,"2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE",experimental,,,,,,NTD,,ZINC000013473744,CHEMBL23996,,,,5289053,OC(C1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F)=C1C(=O)CCCC1=O,"InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,21H,1-3H2",PMHVFNYNPNKNRO-UHFFFAOYSA-N
DB08308,,"SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER",experimental,,,,,,NTH,,ZINC000033821445,,,,,5289054,[H][C@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O,"InChI=1S/C22H30O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h12,15-19H,2-11H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+,22-/m0/s1",IRQUJNVGEAJGSD-KIEDKLRZSA-N
DB08309,,3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL,experimental,,,,,,NU5,,ZINC000016052683,,,,,6852201,OCCCNCCS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,"InChI=1S/C23H32N6O4S/c30-13-4-11-24-12-14-34(31,32)19-9-7-18(8-10-19)27-23-28-21-20(25-16-26-21)22(29-23)33-15-17-5-2-1-3-6-17/h7-10,16-17,24,30H,1-6,11-15H2,(H2,25,26,27,28,29)",AMFGILNPFBVREA-UHFFFAOYSA-N
DB08310,,"N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide",experimental,,,,,,NVC,,ZINC000040980708,CHEMBL506649,50255030,,,25134267,[H][C@@](CCCC)(CN(O)C=O)C(=O)N1CCC[C@@]1([H])C1=NC2=C(O1)C=CC=C2,"InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1",QDDZLTVSNABZIK-ZBFHGGJFSA-N
DB08312,,"6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE",experimental,,,,,,NW1,,ZINC000003814479,CHEMBL303958,5566,,,398148,NC1=NC(N)=C(N=O)C(OCC2CCCCC2)=N1,"InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)",DGWXOLHKVGDQLN-UHFFFAOYSA-N
DB08313,31430-18-9,Nocodazole,experimental,,,D05197,,,NZO,,ZINC000000056509,CHEMBL9514,97233,,34892,4122,COC(=O)NC1=NC2=CC(=CC=C2N1)C(=O)C1=CC=CS1,"InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)",KYRVNWMVYQXFEU-UHFFFAOYSA-N
DB08314,,"(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE",experimental,,,,,,OA1,,ZINC000053683069,CHEMBL1234904,32639,,,25271554,NC1=NC=C(O1)C(=O)C1=CC(Br)=CC=C1,"InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)",YDCMMVTWXORJGO-UHFFFAOYSA-N
DB08315,,"2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE",experimental,,,,,,OA2,,ZINC000053683073,CHEMBL1234905,32641,,,25271555,NC1=NC=C(O1)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20)",KIJXWOGFYAWTNC-UHFFFAOYSA-N
DB08316,,"4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one",experimental,,,,,,OA3,,ZINC000003999417,,32643,,,3137930,CC1(C)CC(=O)C2=C(N)N=CN=C2C1,"InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)",DYPFWRCGECJCBK-UHFFFAOYSA-N
DB08317,,"5-methyl-6-phenylquinazoline-2,4-diamine",experimental,,,,,,OA4,,,,32644,,,25271556,CC1=C(C=CC2=NC(N)=NC(N)=C12)C1=CC=CC=C1,"InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19)",HUCOXWPHDFINIW-UHFFFAOYSA-N
DB08318,,"6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine",experimental,,,,,,OA5,,ZINC000053683076,,32650,,,25271557,NC1=NC(OCCOC2=CC=CC=C2)=NC(N)=N1,"InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)",LRQXUZUFSOQMGU-UHFFFAOYSA-N
DB08319,,"2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID",experimental,,,,,,OBP,,,,,,44576,441161,OC1=CC=CC=C1C1=CC=CC=C1[S@@](O)=O,"InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)",HPKSNFTYZHYEKV-UHFFFAOYSA-N
DB08320,,"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE",experimental,,,,,,ODE,,ZINC000013675708,,,,,24752837,[H][C@]12O[C@]([H])(C(=C1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)[C@]([H])(C(=O)OCC)[C@]2([H])C(=O)OCC,"InChI=1S/C24H24O7/c1-3-29-23(27)19-20(24(28)30-4-2)22-18(14-7-11-16(26)12-8-14)17(21(19)31-22)13-5-9-15(25)10-6-13/h5-12,19-22,25-26H,3-4H2,1-2H3/t19-,20+,21-,22+",NHKDFDHHMHBFLG-COPRSSIGSA-N
DB08321,,"(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol",experimental,,,,,,OEV,,ZINC000014175217,CHEMBL1234952,50358322,,,9817381,[H][C@@]1(O)C(CO)=C[C@@]([H])(NCCCCCCCC)[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13-,14+,15+/m1/s1",UPZUHYMBTUUPML-KBXIAJHMSA-N
DB08322,,"2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID",experimental,,,,,,OFF,,ZINC000013339564,CHEMBL1234956,50430005,,,11669698,[H][C@@](CC(O)=O)(OC(=O)\C=C\C1=CC=C(O)C=C1)[C@@]([H])(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/m0/s1",VJLMRHSHSNLOGC-NOPZTHQXSA-N
DB08323,,3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE,experimental,,,,,,OHM,,ZINC000053683081,CHEMBL1234965,50468428,,44612,16122585,[H][C@@]1(CCNC1=O)NC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1",VEYZCVBECUYIJZ-AWEZNQCLSA-N
DB08324,,N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE,experimental,,,,,,OHN,,ZINC000008436851,CHEMBL8483,50351512,,44534,3246941,[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCCCC,"InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1",PHSRRHGYXQCRPU-AWEZNQCLSA-N
DB08325,212779-48-1,2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol,experimental,,,,,,OLP,,ZINC000002391782,CHEMBL311228,50113707,,,2856,[H]N(CCO)C1=NC(N([H])C2=CC(Cl)=CC=C2)=C2N=CN(C(C)C)C2=N1,"InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)",XZEFMZCNXDQXOZ-UHFFFAOYSA-N
DB08326,,"2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE",experimental,,,,,,OLU,,,,,,16792,135398698,OC1=CC2=C(C=C1)N=C(S2)C1=NC(=O)CS1,"InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2",JJVOROULKOMTKG-UHFFFAOYSA-N
DB08327,451-13-8,Homogentisic acid,experimental,,,,,,OMD,,ZINC000000388428,,,,44747,780,OC(=O)CC1=CC(O)=CC=C1O,"InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",IGMNYECMUMZDDF-UHFFFAOYSA-N
DB08328,,PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID,experimental,,,,,,OPI,,ZINC000053683082,,,,,25011726,[H][C@](O)(C(=O)NCCC(=O)NCCO)C(C)(C)COC(=O)C(C)(C)C,"InChI=1S/C16H30N2O6/c1-15(2,3)14(23)24-10-16(4,5)12(21)13(22)18-7-6-11(20)17-8-9-19/h12,19,21H,6-10H2,1-5H3,(H,17,20)(H,18,22)/t12-/m0/s1",BUEKNBNKVUKNIB-LBPRGKRZSA-N
DB08329,61-56-3,Sulthiame,approved,,N03AX03,,10240,,OSP,2540,ZINC000000002119,CHEMBL328560,26999,SULTHIAME,32171,5356,NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O,"InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)",HMHVCUVYZFYAJI-UHFFFAOYSA-N
DB08330,,METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE,experimental,,,,,,OST,,,,,,,5289085,CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1,"InChI=1S/C19H18O3/c1-21-14-18(19(20)22-2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3/b13-12+,18-14+",VEJCBCPEURAYAS-MEAXDALNSA-N
DB08331,,"N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine",experimental,,,,,,,,ZINC000026392682,CHEMBL74371,,,,11370952,N(C1=NC=CN1)C1=CC=C(NC2=CC=C(NC3=NC=CN3)C=C2)C=C1,"InChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25)",JHMXUERQMCJRHG-UHFFFAOYSA-N
DB08332,,9-(2-carboxyethyl)-10-methylanthracene endoperoxide,experimental,,,,,,OX1,,,,,,44592,,C[C@@]12OO[C@@](CCC(O)=O)(C3=C1C=CC=C3)C1=C2C=CC=C1,"InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+",IOWYALZFEJOVHO-HDICACEKSA-N
DB08333,,4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME,experimental,,,,,,OX3,,ZINC000038624499,CHEMBL253951,,,,135616914,OC1=CC=C(\C=N\OC(=O)C2CCCCC2)C=C1,"InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+",YWZBYSBZDQWXGQ-XNTDXEJSSA-N
DB08334,,3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME,experimental,,,,,,OX4,,ZINC000016052313,,,,,135566317,OC1=CC=C(\C=N\OC(=O)C2CCCCC2)C=C1F,"InChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+",NPVNUGQNVVMJJP-CXUHLZMHSA-N
DB08335,,"4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME",experimental,,,,,,OX5,,ZINC000034633620,CHEMBL256315,,,,135908260,CC(C)(C)CC(=O)O\N=C\C1=CC=C(O)C=C1,"InChI=1S/C13H17NO3/c1-13(2,3)8-12(16)17-14-9-10-4-6-11(15)7-5-10/h4-7,9,15H,8H2,1-3H3/b14-9+",IRHAIEVALGHVLW-NTEUORMPSA-N
DB08336,,"2-Methyl-2-propanyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate",experimental,,,,,,OX6,,ZINC000053683093,,,,,46937140,[H]N(C(=O)OC(C)(C)C)[C@]([H])(C(C)C)C1=NN=CO1,"InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1",PARUDDGQWSBIIO-MRVPVSSYSA-N
DB08337,,"2-Methyl-2-propanyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate",experimental,,,,,,OX7,,ZINC000053683095,,,,,46937141,[H]N(C(=O)OC(C)(C)C)[C@@]([H])(C(C)C)C1=NN=CO1,"InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1",PARUDDGQWSBIIO-QMMMGPOBSA-N
DB08338,,"19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one",experimental,,,,,,P04,,ZINC000029129113,CHEMBL404508,50374663,,,135566411,O=C1CCCCC2=C3N=C(NC4=CC(N1)=CC=C4)N=C(NC1CC1)N3N=C2,"InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25)",HIJNSOUPEZHEMC-UHFFFAOYSA-N
DB08339,185039-91-2,PD-166326,experimental,,,,,,P16,,ZINC000002047503,CHEMBL327127,3085,,,447700,CN1C(=O)C(=CC2=CN=C(NC3=CC=CC(CO)=C3)N=C12)C1=C(Cl)C=CC=C1Cl,"InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)",ZIQFYVPVJZEOFS-UHFFFAOYSA-N
DB08340,,"N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE",experimental,,,,,,P19,,ZINC000016052396,CHEMBL231095,50214472,,,24779674,N(C1=CC=CC=C1)C1=NC2=CC=NN2C(NC2=CC=CC=C2)=N1,"InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)",LLYYAUZAGCZEKV-UHFFFAOYSA-N
DB08341,,"4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide",experimental,,,,,,P1E,,ZINC000040847257,CHEMBL509485,50246327,,,25920890,[H][C@]1(CCC[C@@]1([H])N(C)C)NC1=NC(NC2=CC=C(C=C2)S(=O)(=O)NC)=NC=C1C(F)(F)F,"InChI=1S/C19H25F3N6O2S/c1-23-31(29,30)13-9-7-12(8-10-13)25-18-24-11-14(19(20,21)22)17(27-18)26-15-5-4-6-16(15)28(2)3/h7-11,15-16,23H,4-6H2,1-3H3,(H2,24,25,26,27)/t15-,16-/m1/s1",CAUFYHKGKDJMQG-HZPDHXFCSA-N
DB08342,114507-35-6,S-palmitoyl-L-cysteine,experimental,,,,,,P1L,,ZINC000053683097,,,,22065,46937142,CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O,"InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1",FRAMWPHPFIXRCP-KRWDZBQOSA-N
DB08344,,4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide,experimental,,,,,,P21,,ZINC000016052597,,,,,23644580,[H][C@@]1(CCCN(CCC2=CC=CC=C2)C1)N(CCCOC)C(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C24H31ClN2O2/c1-29-18-6-16-27(24(28)21-10-12-22(25)13-11-21)23-9-5-15-26(19-23)17-14-20-7-3-2-4-8-20/h2-4,7-8,10-13,23H,5-6,9,14-19H2,1H3/t23-/m0/s1",OOUGHDJEJNMXSV-QHCPKHFHSA-N
DB08345,,"4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",experimental,,,,,,P29,,ZINC000016052401,CHEMBL389767,50214475,,,24779678,N#CC1=C2N=C(NC3=CC=CC=C3)N=C(NCCC3=CN=CN3)N2N=C1,"InChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25)",IWUUKHQIKFHWIW-UHFFFAOYSA-N
DB08346,,"(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE",experimental,,,,,,P2N,,ZINC000038443836,CHEMBL1235084,68248,,,24916788,OC1=CC(O)=C2C(CC(=O)CCCC\C=C\CCOC2=O)=C1Cl,"InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+",YUZYDHRGGDTZLG-DUXPYHPUSA-N
DB08347,,4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile,experimental,,,,,,P32,,ZINC000053683105,,,,,46937143,CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CC(=N2)C#N,"InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1",CQEFAUFOQSCRMZ-LBPRGKRZSA-N
DB08348,,"N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE",experimental,,,,,,P34,,ZINC000000008960,CHEMBL372303,27497,,167900,4858,CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1,"InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)",UYJZZVDLGDDTCL-UHFFFAOYSA-N
DB08349,,"N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide",experimental,,,,,,P37,,ZINC000039273513,CHEMBL559401,50296645,,82714,42647297,CN1C2=C(C=NN2C2=C(F)C=C(F)C=C2)C(NC2=C(C)C=CC(=C2)C(=O)NC2CC2)=CC1=O,"InChI=1S/C24H21F2N5O2/c1-13-3-4-14(23(33)28-16-6-7-16)9-19(13)29-20-11-22(32)30(2)24-17(20)12-27-31(24)21-8-5-15(25)10-18(21)26/h3-5,8-12,16,29H,6-7H2,1-2H3,(H,28,33)",WMEYCLAVMZKZCS-UHFFFAOYSA-N
DB08350,,"5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE",experimental,,,,,,P3Y,,ZINC000016052463,CHEMBL1235103,81734,,,16750094,COC1=CC=CC=C1C1=CNC2=C1C=C(C=N2)C1=CC(=CN=C1)C(=O)N(C)C,"InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)",GYQRHHQPEMOLKH-UHFFFAOYSA-N
DB08351,,N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide,experimental,,,,,,P40,,ZINC000020148990,CHEMBL494072,50252739,,,24963046,CC1=CC=C(C=C1C1=CC2=C(C=C1)N=C(NCCN1CCOCC1)N=C2)C(=O)NC1CC1,"InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29)",MNEXDVSJIUQQRH-UHFFFAOYSA-N
DB08352,,"6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine",experimental,,,,,,P41,,ZINC000016052868,CHEMBL257341,50235899,,,24755476,CC(C)NC1=NC2=C(S1)C=C(C=C2)C1=C(N=CO1)C1=CC=CC=C1F,"InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)",FQYJTHIYAQQJAB-UHFFFAOYSA-N
DB08353,,"2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",experimental,,,,,,P44,,ZINC000016052397,CHEMBL438303,50214460,,,24779675,N#CC1=C2N=C(NCC3CCCCC3)N=C(NC3=CC=CC=C3)N2N=C1,"InChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25)",NCVMTHVSAJMOPI-UHFFFAOYSA-N
DB08354,,"2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",experimental,,,,,,P45,,ZINC000016052398,CHEMBL230347,50214465,,,24779676,ClC1=CC=C(CNC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)C=C1,"InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)",QCVULERVJOYHCP-UHFFFAOYSA-N
DB08355,,"1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid",experimental,,,,,,P49,,ZINC000039001795,CHEMBL1098060,50318080,,,44129603,CN1N=C(C(O)=O)C2=C1C1=NC(NC3=CC=CC=C3)=NC=C1CC2,"InChI=1S/C17H15N5O2/c1-22-15-12(14(21-22)16(23)24)8-7-10-9-18-17(20-13(10)15)19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,23,24)(H,18,19,20)",ZOBRPBVIEUWYJR-UHFFFAOYSA-N
DB08356,,"4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol",experimental,,,,,,P4A,,ZINC000004641406,CHEMBL192894,15365,,,764764,COC1=CC=C(C=C1)C1=C(C)NN=C1C1=C(O)C=C(O)C=C1,"InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)",GSBFARPNIZUMHA-UHFFFAOYSA-N
DB08357,112-36-7,Diethylene glycol diethyl ether,experimental,,,,1435108,,P4G,,ZINC000002041052,CHEMBL1235106,,,44664,8179,CCOCCOCCOCC,"InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3",RRQYJINTUHWNHW-UHFFFAOYSA-N
DB08358,,"2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE",experimental,,,,,,P4O,,ZINC000016052855,CHEMBL226403,30185,,,10389239,O=C1NCCC2=C1C=C(N2)C1=CC(=NC=C1)C1=CC2=C(C=CC=C2)N=C1,"InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)",OWFLADWRSCINST-UHFFFAOYSA-N
DB08359,,2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE,experimental,,,,,,P4T,,ZINC000000153609,CHEMBL1235108,50071795,,,735838,CC(=O)C1=C(C)N=C(NC2=CC=CC=C2)S1,"InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)",UIIUOFPGDKBCEZ-UHFFFAOYSA-N
DB08360,,"2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",experimental,,,,,,P55,,ZINC000016052399,CHEMBL230137,50214452,,,24779677,CCN1CCN(CC1)C1=NC2=C(C=NN2C(NC2=CC=CC=C2)=N1)C#N,"InChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23)",BIFHJPUTQBOBGJ-UHFFFAOYSA-N
DB08361,,"2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide",experimental,,,,,,P5C,,ZINC000003941369,CHEMBL1235110,50396073,,,11493841,[H][C@]1(N)CCCC[C@@]1([H])NC1=NC(NC2=CC=CC(C)=C2)=C(C=N1)C(N)=O,"InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1",NZNTWOVDIXCHHS-LSDHHAIUSA-N
DB08362,,"N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE",experimental,,,,,,P63,,ZINC000016052402,CHEMBL230354,50214473,,,23656870,CC(=O)NC1=CC=CC(NC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)=C1,"InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)",QVKXQLGRDOMAGC-UHFFFAOYSA-N
DB08363,,1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine,experimental,,,,,,P83,,ZINC000003888893,CHEMBL1235116,,,,4722579,CCN1C2=CC=C(CNC)C=C2C2=C1C=CC=C2,"InChI=1S/C16H18N2/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18/h4-10,17H,3,11H2,1-2H3",LBPNOEAFWYTTEB-UHFFFAOYSA-N
DB08364,,1-{[(1E)-(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXY-LAMBDA^5^-PHOSPHANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLIDENE]AMINO}UNDECAN-2-ONE,experimental,,,,,,P89,,ZINC000053683108,,,,,,CCCCCCCCCC(=O)C\N=C\C1=C(COP(O)(O)O)C=NC(C)=C1O,"InChI=1S/C19H33N2O6P/c1-3-4-5-6-7-8-9-10-17(22)12-20-13-18-16(14-27-28(24,25)26)11-21-15(2)19(18)23/h11,13,23-26,28H,3-10,12,14H2,1-2H3/b20-13+",VERCTSZYCODNLU-DEDYPNTBSA-N
DB08365,,"8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide",experimental,,,,,,P91,,ZINC000038256084,,,,,11691442,CN1C2=C(C(Br)=C1C(=O)NCCO)C1=C(C(=O)NC1=O)C(=C2)C1=C(Cl)C=CC=C1,"InChI=1S/C20H15BrClN3O4/c1-25-12-8-10(9-4-2-3-5-11(9)22)13-15(19(28)24-18(13)27)14(12)16(21)17(25)20(29)23-6-7-26/h2-5,8,26H,6-7H2,1H3,(H,23,29)(H,24,27,28)",XUAHLMVOYLUYSB-UHFFFAOYSA-N
DB08366,,"3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid",experimental,,,,,,P9A,,ZINC000035050252,CHEMBL1235122,,,,16086836,[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)CCC(=O)[C@@](C)(CCC(=O)NC2=C(O)C=CC(C(O)=O)=C2O)[C@]31[H],"InChI=1S/C24H29NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-4,12,15,20,26,29H,5-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1",XADCWKSMHQPTGH-OFBLZTNGSA-N
DB08367,,(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE,experimental,,,,,,PA6,,ZINC000005972939,,,,,11963565,[H][C@@](COC(=O)CCCC)(COP(O)(O)=O)OC=O,"InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1",JDTMNMAQWVSSOO-MRVPVSSYSA-N
DB08368,,"OCTANE-1,3,5,7-TETRACARBOXYLIC ACID",experimental,,,,,,PAY,,ZINC000016052584,,,,,24832027,[H][C@](C)(C[C@]([H])(C[C@@]([H])(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7+,8+/m0/s1",UEYGDIASMOPQFG-XLPZGREQSA-N
DB08369,,1-(biphenyl-4-ylmethyl)-1H-imidazole,experimental,,,,,,PB2,,ZINC000053683112,CHEMBL1235146,50335350,,,12229396,C(N1C=CN=C1)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2",DLYMRVCQTVOYEW-UHFFFAOYSA-N
DB08370,,S-(4-BROMOBENZYL)CYSTEINE,experimental,,,,,,PBB,,,,,,,5289112,[H][C@](N)(CSCC1=CC=C(Br)C=C1)C(O)=O,"InChI=1S/C10H12BrNO2S/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1",QZGWXEMBSFZEBK-VIFPVBQESA-N
DB08371,104504-45-2,p-Benzoyl-L-phenylalanine,experimental,,,,,,PBF,,ZINC000002561082,,,,,7020127,N[C@@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1",TVIDEEHSOPHZBR-AWEZNQCLSA-N
DB08372,,1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA,experimental,,,,,,PC0,,ZINC000018422318,,,,,9547984,CCOC1=C(F)C(CCNC(=S)NC2=CC=C(C)C=N2)=NC=C1,"InChI=1S/C16H19FN4OS/c1-3-22-13-7-9-18-12(15(13)17)6-8-19-16(23)21-14-5-4-11(2)10-20-14/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,19,20,21,23)",QOVMZMFNTIUFLU-UHFFFAOYSA-N
DB08373,,"4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL",experimental,,,,,,PCB,,,,,,49809,115069,CS(=O)(=O)C1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C=C(C(Cl)=C1)S(C)(=O)=O,"InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3",RDBKPLOYRMCFIY-UHFFFAOYSA-N
DB08374,52735-71-4,Phenylalanylmethylchloride,experimental,,,,,,PCS,,ZINC000002504633,,,,,4369560,[H][C@](N)(CC1=CC=CC=C1)C(=O)CCl,"InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1",CNNSBPMDYXZFTQ-VIFPVBQESA-N
DB08375,,"(2R)-2-[(1R)-1-[[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid",experimental,,,,,,CEF,,ZINC000015605562,,,,,131704308,[H][C@@]1(SCC(=C)C(=N1)C(O)=O)[C@H](NC(=O)C(=N/OC)\C1=CSC(N)=N1)C=O,"InChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1",NRYMPLKBKFIWQC-YVCCLBOHSA-N
DB08376,,"(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate",experimental,,,,,,PD7,,ZINC000013544791,CHEMBL482505,50271805,,,23629653,[H][C@@](COC(=O)CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCC,"InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1",JAXUAGQDLYDLQB-OAHLLOKOSA-N
DB08377,,N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine,experimental,,,,,,PNE,,ZINC000006491491,,,,45002,446756,C[C@@H](NC(=O)CCCP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,"InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m1/s1",KBXXIYHMPQZHCH-SECBINFHSA-N
DB08378,,"4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID",experimental,,,,,,PDM,,ZINC000033396944,,,,,46937145,[H][C@](O)(CCC(O)=O)NC1=CC=C(C=C1)N1C(=O)CCC1=O,"InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1",SUETUOGYOWOLNJ-NSHDSACASA-N
DB08379,,6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one,experimental,,,,,,PDZ,,ZINC000040404526,CHEMBL479032,,,,24875319,FC1=C(CC2=NNC(=O)C=C2)C=CC(Cl)=C1OC1=CC=CC=C1,"InChI=1S/C17H12ClFN2O2/c18-14-8-6-11(10-12-7-9-15(22)21-20-12)16(19)17(14)23-13-4-2-1-3-5-13/h1-9H,10H2,(H,21,22)",NOVPOXGMADEKPP-UHFFFAOYSA-N
DB08382,869490-23-3,Gosogliptin,investigational,,,,,,PF2,,ZINC000023247686,CHEMBL515387,50249479,GOSOGLIPTIN,177858,11516136,[H][C@]1(CN[C@@]([H])(C1)C(=O)N1CCC(F)(F)C1)N1CCN(CC1)C1=NC=CC=N1,"InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1",QWEWGXUTRTXFRF-KBPBESRZSA-N
DB08383,,"4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole",experimental,,,,,,PF4,,ZINC000000860663,CHEMBL1235237,31589,,,1122713,COC1=CC=C(C=C1)C1=C(N=C(N1)C1=CC=CS1)C1=CC=C(OC)C=C1,"InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)23-21(22-19)18-4-3-13-26-18/h3-13H,1-2H3,(H,22,23)",XBMULXNXJLWLLD-UHFFFAOYSA-N
DB08384,,2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline,experimental,,,,,,PF6,,ZINC000043071709,CHEMBL562317,31590,,,44141871,C(OC1=CC=C(C=C1)C1=NNC=C1CC1=CC=NC=C1)C1=NC2=CC=CC=C2C=C1,"InChI=1S/C25H20N4O/c1-2-4-24-19(3-1)5-8-22(28-24)17-30-23-9-6-20(7-10-23)25-21(16-27-29-25)15-18-11-13-26-14-12-18/h1-14,16H,15,17H2,(H,27,29)",RQDDHVVAAJVVKM-UHFFFAOYSA-N
DB08385,,4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid,experimental,,,,,,PF7,,ZINC000038995984,,,,,24892821,OC(=O)N1CCC(CC2=CN=C3C=CC=CC3=C2)CC1,"InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)",QUAGUFNCKDDJFZ-UHFFFAOYSA-N
DB08386,,2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline,experimental,,,,,,PF8,,ZINC000035931586,CHEMBL560377,31591,,,11610553,C(OC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1)C1=CC=C2C=CC=CC2=N1,"InChI=1S/C24H18N4O/c1-2-4-23-18(3-1)5-8-20(27-23)16-29-21-9-6-19(7-10-21)24-22(15-26-28-24)17-11-13-25-14-12-17/h1-15H,16H2,(H,26,28)",VRWJZGHUCOFGPZ-UHFFFAOYSA-N
DB08387,898562-94-2,Mardepodect,investigational,,,,,,PF9,,ZINC000035859742,CHEMBL562318,31592,PF-02545920,,11581936,CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1,"InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3",AZEXWHKOMMASPA-UHFFFAOYSA-N
DB08388,,"5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE",experimental,,,,,,PFD,,ZINC000016051705,CHEMBL222002,50224854,,45030,657061,CCOCCC1(OC2=CC=C(OC3=CC=C(F)C=C3)C=C2)C(=O)NC(=O)NC1=O,"InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)",XRSYNYGEEYTXJV-UHFFFAOYSA-N
DB08389,,"6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE",experimental,,,,,,PFH,,ZINC000014956477,CHEMBL410834,14760,,,15991588,[H][C@]1(CCN(C1)C1=NC=NC2=CC(OC)=C(OC)C=C12)OC1=CC2=CC=CC=C2C=C1,"InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1",UPTQSRGSSJRBKJ-LJQANCHMSA-N
DB08390,,"(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE",experimental,,,,,,PFI,,ZINC000100036690,,,,,54688400,CC(C)OC1=CC=C(CC[C@]2(CC(O)=CC(=O)O2)C2CCCC2)C=C1F,"InChI=1S/C21H27FO4/c1-14(2)25-19-8-7-15(11-18(19)22)9-10-21(16-5-3-4-6-16)13-17(23)12-20(24)26-21/h7-8,11-12,14,16,23H,3-6,9-10,13H2,1-2H3/t21-/m0/s1",AKNIHFDXRAOPAI-NRFANRHFSA-N
DB08391,927691-21-2,PQ-10,experimental,,,,,,PFJ,,ZINC000014956507,CHEMBL219445,14768,,,11955614,COC1=CC2=NC=NC(N3CC[C@H](C3)OC3=NC4=CC=CC=C4N=C3)=C2C=C1OC,"InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1",UBIIFKJMNRPNMT-CQSZACIVSA-N
DB08392,,"2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL",experimental,,,,,,PFP,,ZINC000002501415,CHEMBL190201,14799,,,2059510,COC1=CC=C(C=C1)C1=C(C2=C(NCCO)N=CN=C2O1)C1=CC=C(OC)C=C1,"InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)",ARBUGBBNEFAECO-UHFFFAOYSA-N
DB08393,,"2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL",experimental,,,,,,PFQ,,ZINC000001803337,CHEMBL189434,14800,,,1587957,OCCNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)",UQHINZSKNAAVOZ-UHFFFAOYSA-N
DB08394,,PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE,experimental,,,,,,PGG,,ZINC000002043201,,,,44930,449244,OC(=O)CNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C12H15N2O8P/c15-11(13-8-12(16)17)2-1-7-23(20,21)22-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)(H,20,21)",WLNKGRQBMNPVSJ-UHFFFAOYSA-N
DB08395,,2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE,experimental,,,,,,PGJ,,ZINC000016051715,CHEMBL371491,50165882,,,4369443,CCOCN1OC(=O)C(=C1C1=CC=NC(OC2=CC=CC=C2O)=N1)C1=CC=C(F)C=C1,"InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3",ZSOXFJURLPCSOO-UHFFFAOYSA-N
DB08396,,"4-{[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid",experimental,,,,,,PHX,,,,,,,,OC(=O)CCCNC=C1N=C(OC1=O)C1=CC=CC=C1,"InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,17,18)",PXGNVFUWTUIRCJ-UHFFFAOYSA-N
DB08397,,6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID,experimental,,,,,,PIC,,ZINC000002047327,CHEMBL99447,50103227,,,1854,OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O,"InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)",NKGNOWNPXBURRW-UHFFFAOYSA-N
DB08398,105650-23-5,"2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine",investigational,,,,,,PIQ,,ZINC000001850101,CHEMBL1213271,,,76290,1530,CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1,"InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)",UQVKZNNCIHJZLS-UHFFFAOYSA-N
DB08399,10083-24-6,Piceatannol,experimental,,,,,,PIT,,ZINC000000014036,CHEMBL69863,50045936,,28814,667639,OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1,"InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+",CDRPUGZCRXZLFL-OWOJBTEDSA-N
DB08400,,4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid,experimental,,,,,,PIX,,ZINC000038996622,,,,,25243828,OC(=O)N1CCC(CC2=CC(OC3=NC=C(C=C3)C(F)(F)F)=CC=C2)CC1,"InChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-5-17(23-12-15)27-16-3-1-2-14(11-16)10-13-6-8-24(9-7-13)18(25)26/h1-5,11-13H,6-10H2,(H,25,26)",KUEKMTNOUPAOBS-UHFFFAOYSA-N
DB08401,,(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID,experimental,,,,,,PL7,,ZINC000053683126,,,,,16741209,[H][C@@](CO\N=C(/CCC(O)=O)C(O)=O)(NC(=O)COC1=CC=CC=C1)C(O)=O,"InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1",LDNKNKRRFZRLIG-HWQJWEFDSA-N
DB08402,,"2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID",experimental,,,,,,PLB,,ZINC000012358153,CHEMBL1204498,,,,5289162,OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1,"InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)",VNDRRWBKNSHALL-UHFFFAOYSA-N
DB08403,,METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID,experimental,,,,,,PLH,,,CHEMBL11306,50031795,,,194777,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)NC,"InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1",MOPRTFSMCQNUCT-CABCVRRESA-N
DB08404,,"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE",experimental,,,,,,PM4,,ZINC000053683128,,,,,46937147,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(C)(C)CO[P@]([H])(O)=O,"InChI=1S/C17H33N2O7PS/c1-4-5-6-7-14(21)28-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-26-27(24)25/h15,22,27H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H,24,25)/t15-/m0/s1",RXYQLYCKZTXHTF-HNNXBMFYSA-N
DB08405,,"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE",experimental,,,,,,PM5,,ZINC000053683133,,,,,46937148,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCC)C(C)(C)CO[P@]([H])(O)=O,"InChI=1S/C18H35N2O7PS/c1-4-5-6-7-8-15(22)29-12-11-19-14(21)9-10-20-17(24)16(23)18(2,3)13-27-28(25)26/h16,23,28H,4-13H2,1-3H3,(H,19,21)(H,20,24)(H,25,26)/t16-/m0/s1",IPSBILXXAVXCDA-INIZCTEOSA-N
DB08406,,"[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE",experimental,,,,,,PMD,,ZINC000002043425,CHEMBL301769,18506,,,446744,NC1=NC2=C(N=C(CN3C4=CC=CC=C4C=CC4=CC=CC=C34)C=N2)C(N)=N1,"InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27)",NXCCIJQEAKMFGW-UHFFFAOYSA-N
DB08407,835876-32-9,Platensimycin,experimental,,,,,,PMN,,ZINC000029050726,CHEMBL411278,,,68236,6857724,[H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C(O)=O)[C@]31[H],"InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1",CSOMAHTTWTVBFL-OFBLZTNGSA-N
DB08408,,"(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate",experimental,,,,,,PN5,,ZINC000013522155,,,,,25011727,[H][C@](O)(C(=O)NCCC(=O)NCCS)C(C)(C)COC(=O)C(C)(C)C,"InChI=1S/C16H30N2O5S/c1-15(2,3)14(22)23-10-16(4,5)12(20)13(21)18-7-6-11(19)17-8-9-24/h12,20,24H,6-10H2,1-5H3,(H,17,19)(H,18,21)/t12-/m0/s1",KVQSHCZSRKQWCB-LBPRGKRZSA-N
DB08409,,4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE,experimental,,,,,,PNB,,,,,,63748,449242,OC(=O)CNC(=O)CCC[P@@](O)(=O)OCC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C13H17N2O8P/c16-12(14-8-13(17)18)2-1-7-24(21,22)23-9-10-3-5-11(6-4-10)15(19)20/h3-6H,1-2,7-9H2,(H,14,16)(H,17,18)(H,21,22)",LNMNPGKCSJFAGN-UHFFFAOYSA-N
DB08410,,PARA-NITROBENZYL GLUTARYL GLYCINIC ACID,experimental,,,,,,PNC,,ZINC000002043202,,,,44939,449243,OC(=O)CNC(=O)CCCC(=O)NCC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C14H17N3O6/c18-12(2-1-3-13(19)16-9-14(20)21)15-8-10-4-6-11(7-5-10)17(22)23/h4-7H,1-3,8-9H2,(H,15,18)(H,16,19)(H,20,21)",UCFVFUIGNWHAJJ-UHFFFAOYSA-N
DB08411,,N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine,experimental,,,,,,PDE,,ZINC000006486903,,,,59565,5496653,[H][C@@](C)(NC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,"InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1",KBXXIYHMPQZHCH-VIFPVBQESA-N
DB08412,,6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID,experimental,,,,,,PNF,,ZINC000006536225,,,,45068,449245,OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C16H23N2O8P/c19-15(17-11-3-1-2-6-16(20)21)5-4-12-27(24,25)26-14-9-7-13(8-10-14)18(22)23/h7-10H,1-6,11-12H2,(H,17,19)(H,20,21)(H,24,25)",WYHHVZLGTMCKOR-UHFFFAOYSA-N
DB08413,,METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER,experimental,,,,,,PNP,,,,,,,446757,C[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)",VJPXTXIEAOSJBR-UHFFFAOYSA-N
DB08414,185220-03-5,PNU-142721,experimental,,,,,,PNU,,,CHEMBL280541,50064007,,,446309,C[C@H](SC1=NC(Cl)=CC(N)=N1)C1=CC2=C(OC=C2)C=N1,"InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1",ATCRIOJPQXDFNY-ZETCQYMHSA-N
DB08416,,"(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE",experimental,,,,,,PO1,,ZINC000003975451,CHEMBL218382,50200936,,,9804302,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=C(C=C(OC)C(OS(N)(=O)=O)=C4)[C@@]3([H])CC[C@]12C)OS(N)(=O)=O,"InChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1",AQSNIXKAKUZPSI-SSTWWWIQSA-N
DB08418,,"(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate",experimental,,,,,,POF,,ZINC000003988972,CHEMBL1235380,50121192,,,9912519,[H][C@]12CC[C@]3(C)C(=O)N(CC4=CC=CN=C4)C(=O)C[C@@]3([H])[C@]1([H])CCC1=C2C=CC(OS(N)(=O)=O)=C1,"InChI=1S/C24H27N3O5S/c1-24-9-8-19-18-7-5-17(32-33(25,30)31)11-16(18)4-6-20(19)21(24)12-22(28)27(23(24)29)14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-21H,4,6,8-9,12,14H2,1H3,(H2,25,30,31)/t19-,20-,21+,24+/m1/s1",LSJKARAMQNGZDF-YOEKFXIASA-N
DB08419,,(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE,experimental,,,,,,POT,,,,,,,46937149,[H][C@](CC)(COC1=CC=CC=C1)O[P@](C)(Cl)=O,"InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1",YEIXDWIEYXZUBR-MGPLVRAMSA-N
DB08420,,1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID,experimental,,,,,,PPB,,ZINC000169748507,,,,,5289192,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CC1=CC(=CC=C1)C#N)B(O)O,"InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1",UFOIPTZMXQILSG-HKBOAZHASA-N
DB08421,,PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE,experimental,,,,,,,,ZINC000006357275,,,,,5289197,[H][C@]1(CCCCN1)C(=O)NC(C)(C)C,"InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1",BZRGONFHSWNSQA-QMMMGPOBSA-N
DB08422,,[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE,experimental,,,,,,PPX,,ZINC000003871334,CHEMBL65273,50064655,,,23586040,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCNC1=CC=NC=C1,"InChI=1S/C21H27N5O2/c22-18(15-16-5-2-1-3-6-16)21(28)26-14-4-7-19(26)20(27)25-13-12-24-17-8-10-23-11-9-17/h1-3,5-6,8-11,18-19H,4,7,12-15,22H2,(H,23,24)(H,25,27)/t18-,19+/m1/s1",GEIDRYBJURDUSW-MOPGFXCFSA-N
DB08423,,[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE,experimental,,,,,,PQA,,ZINC000053683154,,,,,5327066,NC1=C(C=NN1C1=CC=C(F)C=C1)C(=O)C1=CC(OC2CCNCC2)=CC=C1,"InChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2",QKZZJXRGCHXIAI-UHFFFAOYSA-N
DB08424,,"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE",experimental,,,,,,PQB,,,CHEMBL203567,15754,,45116,5327067,[H][C@](O)(CO)COC1=CC(=CC=C1)C(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1,"InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1",IJDQETGUEUJVTB-HNNXBMFYSA-N
DB08426,,"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE",experimental,,,,,,PR2,,ZINC000003815573,CHEMBL1235423,14057,,,445481,[H][C@@]1(CCN(CC2=CC3=C(N2)C=NC=C3)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2,"InChI=1S/C19H17N5O3S2/c25-19-14(23-29(26,27)18-9-15-17(28-18)2-1-5-21-15)4-7-24(19)11-13-8-12-3-6-20-10-16(12)22-13/h1-3,5-6,8-10,14,22-23H,4,7,11H2/t14-/m0/s1",PLXOQMHGHDZMSX-AWEZNQCLSA-N
DB08427,126-49-8,Prephenic acid,experimental,,,,,,PRE,,ZINC000100036740,,,,84387,,[H][C@]1(O)C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O,"InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+",FPWMCUPFBRFMLH-XGAOUMNUSA-N
DB08428,,3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL,experimental,,,,,,,,ZINC000008239928,,,,,13949633,[H][C@@](C)(O)[C@@]([H])(N)CC1=CC=CC=C1,"InChI=1S/C10H15NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3/t8-,10-/m0/s1",SMZUMFSKQVVOOV-WPRPVWTQSA-N
DB08429,,N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide,experimental,,,,,,PS4,,ZINC000039279922,CHEMBL564249,50296131,,,42608447,[H][C@](N)(CC(=O)N1CCC[C@@]1([H])CNC(=O)C1=CC=CC(=C1)S(C)(=O)=O)CC1=CC(Cl)=CC=C1,"InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1",QRGBOABBMKYMLG-UXHICEINSA-N
DB08430,,PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE,experimental,,,,,,PSG,,ZINC000013520501,CHEMBL1235458,,,,656902,[H][C@]1(CO)O[C@@]([H])(SC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1",IXFOBQXJWRLXMD-ZIQFBCGOSA-N
DB08431,,"[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID",experimental,,,,,,PSK,,ZINC000053683157,,,,,46937150,[H][C@](C)(C(=O)C[P@]([H])(O)=O)[C@@]([H])(O)CC,"InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1",UXHVQAJQXZWLAW-RITPCOANSA-N
DB08432,,THYMIDINE-5'-THIOPHOSPHATE,experimental,,,,,,PST,,,,,,,10019998,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=S)N1C=C(C)C(=O)NC1=O,"InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16,17)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,21)/t6-,7+,8+/m0/s1",OJRKJKYGUAALCJ-XLPZGREQSA-N
DB08433,,phenyl ethenesulfonate,experimental,,,,,,PSY,,ZINC000002167094,,,,,564920,C=CS(=O)(=O)OC1=CC=CC=C1,"InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2",CILDJVVXNMDAGY-UHFFFAOYSA-N
DB08434,,2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID,experimental,,,,,,AY0,,ZINC000033821484,,,,,5289221,[H][C@]1(C(O)=O)[C@]([H])(C(=O)NC)[C@]1([H])C1=CC=C(OP(O)(O)=O)C=C1,"InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1",GIIUHKRUTUSHAB-IVZWLZJFSA-N
DB08435,,"(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid",experimental,,,,,,PTG,,ZINC000038139032,CHEMBL1210221,,,,23654841,[H][C@]1(C\C=C\CCCC(O)=O)C=CC(=O)\C1=C/C=C/CCCCC,"InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13-/t17-/m0/s1",VHRUMKCAEVRUBK-XOVNXQNQSA-N
DB08436,,"8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-",experimental,,,,,,PU6,,ZINC000003832017,CHEMBL326564,15377,,,448968,CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=CN=C12,"InChI=1S/C17H19N5O2/c1-2-3-6-22-14(21-15-16(18)19-9-20-17(15)22)8-11-4-5-12-13(7-11)24-10-23-12/h4-5,7,9H,2-3,6,8,10H2,1H3,(H2,18,19,20)",JCDXXNIRWRRGBX-UHFFFAOYSA-N
DB08437,53-79-2,Puromycin,experimental,,,,,,PUY,,ZINC000053147179,CHEMBL469912,50277158,,17939,439530,COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1,"InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1",RXWNCPJZOCPEPQ-NVWDDTSBSA-N
DB08438,,"(2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID",experimental,,,,,,PVC,,ZINC000100036745,,,,,54736482,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)[C@@]([H])(O)C(\O)=C(\O)C(O)=O,"InChI=1S/C22H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-16-17(23)19(25)20(26)21(27)22(28)29/h17,19,23,25-27H,2-16H2,1H3,(H,28,29)/b21-20-/t17-,19+/m0/s1",XWTWKBKNEMLBKW-KCWNHAIFSA-N
DB08439,198470-84-7,Parecoxib,approved,,M01AH04,D02709,279950,PA166049193,PXB,2063,ZINC000005761797,CHEMBL1206690,50506744,PARECOXIB SODIUM,73038,119828,CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C1=C(C)ON=C1C1=CC=CC=C1,"InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)",TZRHLKRLEZJVIJ-UHFFFAOYSA-N
DB08440,,"N-1,10-phenanthrolin-5-ylacetamide",experimental,,,,,,PXX,,ZINC000053683165,,,,,18719622,CC(=O)NC1=C2C=CC=NC2=C2N=CC=CC2=C1,"InChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)",AAJXINSCZMZERD-UHFFFAOYSA-N
DB08441,,"6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE",experimental,,,,,,PY8,,ZINC000003942821,CHEMBL1235529,50400802,,,9952008,BrC1=C2NCCCNS(=O)(=O)C3=CC=CC(NC(N=C1)=N2)=C3,"InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)",AWSQADBSXFTFKL-UHFFFAOYSA-N
DB08442,,"4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol",experimental,,,,,,PY9,,,CHEMBL470365,50479800,,,25058141,[H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C,"InChI=1S/C18H19NO3/c1-12-5-2-3-6-14(12)16-7-4-10-19(16)18(22)15-9-8-13(20)11-17(15)21/h2-3,5-6,8-9,11,16,20-21H,4,7,10H2,1H3/t16-/m1/s1",TWODFUZHWYZBHZ-MRXNPFEDSA-N
DB08443,,"2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol",experimental,,,,,,PYU,,ZINC000096006136,CHEMBL513225,50479792,,,11160307,OC1=CC(O)=C(C(=O)N2C=CC=C2)C(O)=C1,"InChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H",RYGSNHBTZDYVSS-UHFFFAOYSA-N
DB08444,,"3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile",experimental,,,,,,PZ2,,ZINC000040864726,CHEMBL459170,27618,,,25102779,CC1=CC(=CC(OC2=C(Br)C=C(CC3=NNC4=NN=CC=C34)C=C2)=C1)C#N,"InChI=1S/C20H14BrN5O/c1-12-6-14(11-22)8-15(7-12)27-19-3-2-13(9-17(19)21)10-18-16-4-5-23-25-20(16)26-24-18/h2-9H,10H2,1H3,(H,24,25,26)",YYGZQXRLQMFHDH-UHFFFAOYSA-N
DB08445,,"(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE",experimental,,,,,,PZF,,ZINC000028823849,CHEMBL237786,50221073,,,24180585,[H][C@]1(N)CN(C[C@]1([H])C1=C(F)C=C(F)C(F)=C1)C1=CC(=NC=N1)C1=CC=C(OC)N=C1,"InChI=1S/C20H18F3N5O/c1-29-20-3-2-11(7-25-20)18-6-19(27-10-26-18)28-8-13(17(24)9-28)12-4-15(22)16(23)5-14(12)21/h2-7,10,13,17H,8-9,24H2,1H3/t13-,17+/m1/s1",IFKWHPAWYJARQJ-DYVFJYSZSA-N
DB08446,,"3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile",experimental,,,,,,PZL,,ZINC000033360191,CHEMBL456649,27614,,,25058137,FC1=C(CC2=NNC3=NN=CC=C23)C=CC(Br)=C1OC1=CC(=CC(Cl)=C1)C#N,"InChI=1S/C19H10BrClFN5O/c20-15-2-1-11(7-16-14-3-4-24-26-19(14)27-25-16)17(22)18(15)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)",OHQMEDBYNUAVNE-UHFFFAOYSA-N
DB08447,,3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL,experimental,,,,,,PZZ,,ZINC000016052442,,,,,23640750,CN(C)CC1=CNC2=C1C=CC=C2CCCO,"InChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3",KKQDXWHOFSMCSA-UHFFFAOYSA-N
DB08448,,"(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol",experimental,,,,,,Q22,,ZINC000039112944,,,,,46937152,[H][C@]12C=CCC=C1C=CC1=CC(O)=CC=C1N2CC1=NC2=C(N)N=C(N)N=C2N=C1,"InChI=1S/C21H19N7O/c22-19-18-20(27-21(23)26-19)24-10-14(25-18)11-28-16-4-2-1-3-12(16)5-6-13-9-15(29)7-8-17(13)28/h2-10,16,29H,1,11H2,(H4,22,23,24,26,27)/t16-/m0/s1",PCBWLKUEKANDCL-INIZCTEOSA-N
DB08449,,"2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid",experimental,,,,,,Q74,,ZINC000034322977,CHEMBL1235556,50343933,,,10150441,OC(=O)CN1C=C(CC2=NC3=C(S2)C(F)=CC(F)=C3F)C2=CC=CN=C12,"InChI=1S/C17H10F3N3O2S/c18-10-5-11(19)16-15(14(10)20)22-12(26-16)4-8-6-23(7-13(24)25)17-9(8)2-1-3-21-17/h1-3,5-6H,4,7H2,(H,24,25)",IEVFQDJUDLCOQY-UHFFFAOYSA-N
DB08450,,N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine,experimental,,,,,,QIG,,ZINC000039279791,CHEMBL537968,50293520,,,9998128,CC1=CC=CC(=N1)C1=NC(NC2=CC=C3NN=CC3=C2)=C2C=CC=CC2=N1,"InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)",HNHRWNUXTCATSG-UHFFFAOYSA-N
DB08451,,N-(QUINOLIN-8-YL)METHANESULFONAMIDE,experimental,,,,,,QMS,,ZINC000000287668,CHEMBL1235568,50277922,,,151506,CS(=O)(=O)NC1=CC=CC2=C1N=CC=C2,"InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3",XYEPUTZVZYUENX-UHFFFAOYSA-N
DB08453,316-66-5,2-Nonyl-4-quinolinol 1-oxide,experimental,,,,,,QNO,,ZINC000100036761,CHEMBL1235570,,,,,CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1,"InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)21/h9-10,12-14,20H,2-8,11H2,1H3",LMBFBUICIQJLPK-UHFFFAOYSA-N
DB08454,,N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE,experimental,,,,,,QPP,,ZINC000016052235,CHEMBL359482,228657,,78544,6419766,CC1=CC(NC2=C3C=CC=CC3=NC(=N2)C2=CC=CC=C2)=NN1,"InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)",JYCUVOXSZBECAY-UHFFFAOYSA-N
DB08455,65316-65-6,Ro 12-7310,experimental,,,,,,R12,,,,,,,6438583,[H]/C(=C(/[H])\C(\C)=C(/[H])C(O)=O)/C(/[H])=C(\C)/C(/[H])=C(\[H])C1=C(C)C=C(O)C(C)=C1C,"InChI=1S/C20H24O3/c1-13(7-6-8-14(2)11-20(22)23)9-10-18-15(3)12-19(21)17(5)16(18)4/h6-12,21H,1-5H3,(H,22,23)/b8-6+,10-9+,13-7+,14-11+",CAAFTBWHFUPDGX-OFCLTBKTSA-N
DB08456,,"S-[(1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",experimental,,,,,,R1F,,,,,,,131704309,CC1(C)N(O)C(C)(C)C(=C1CSS(C)(=O)=O)C1=CC=CC=C1,"InChI=1S/C16H23NO3S2/c1-15(2)13(11-21-22(5,19)20)14(16(3,4)17(15)18)12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3",ZXJJZPNUOZSZBU-UHFFFAOYSA-N
DB08457,,"4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE",experimental,,,,,,R22,,ZINC000016051815,CHEMBL567204,,,,5327076,CC1=C(CSCC2=CC=CO2)C(OC2=CC(C)=CC(C)=C2)=C(I)C(=O)N1,"InChI=1S/C20H20INO3S/c1-12-7-13(2)9-16(8-12)25-19-17(14(3)22-20(23)18(19)21)11-26-10-15-5-4-6-24-15/h4-9H,10-11H2,1-3H3,(H,22,23)",YZLKVEDFWLGNQP-UHFFFAOYSA-N
DB08458,,(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE,experimental,,,,,,R88,,ZINC000003581390,CHEMBL62855,50128062,,,445987,CN(C\C=C\COC1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1)C1CC1,"InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+",JAZMZJDLZUDIDG-NSCUHMNNSA-N
DB08459,,"3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile",experimental,,,,,,R8D,,ZINC000034891664,CHEMBL491019,50479471,,,16045340,ClC1=CC(OC2=C(Cl)C=CC(OCC3=NNC4=NC=CC=C34)=C2)=CC(=C1)C#N,"InChI=1S/C20H12Cl2N4O2/c21-13-6-12(10-23)7-15(8-13)28-19-9-14(3-4-17(19)22)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)",SVMHTBVIPYVDIL-UHFFFAOYSA-N
DB08460,920035-77-4,MK-4965,experimental,,,,,,R8E,,ZINC000034891728,CHEMBL489586,50479470,,,16045418,NC1=CC=C2C(COC3=CC=C(Cl)C(OC4=CC(=CC(Cl)=C4)C#N)=C3)=NNC2=N1,"InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)",KXDIHAQCVNNLIB-UHFFFAOYSA-N
DB08461,,"3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL",experimental,,,,,,RB1,,ZINC000029050722,CHEMBL259420,,,,16750071,CC(C)(C)N1N=C(CC2=CC(O)=CC=C2)C2=C1N=CN=C2N,"InChI=1S/C16H19N5O/c1-16(2,3)21-15-13(14(17)18-9-19-15)12(20-21)8-10-5-4-6-11(22)7-10/h4-7,9,22H,8H2,1-3H3,(H2,17,18,19)",QMAIQPBRCNEJAT-UHFFFAOYSA-N
DB08462,,N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE,experimental,,,,,,RBS,,ZINC000038521711,CHEMBL1221699,50324687,,,10401956,C=CC(=O)NC1=CC=C2N=CN=C(NC3=CC=CC=C3)C2=C1,"InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)",JGWHILNNHLDARR-UHFFFAOYSA-N
DB08463,,(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol,experimental,,,,,,RC8,,ZINC000016052807,CHEMBL518800,50154937,,,10224714,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=C(C=C2)C2=CC=CC=N2)=N1,"InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1",HOCBJBNQIQQQGT-LJQANCHMSA-N
DB08464,,"METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE",experimental,,,,,,RDA,,ZINC000024798681,,,,,11373270,COC(=O)C1=C(CCC(=O)NC2=C(O)C=C(OC)C(O)=C2)C(Cl)=C(O)C=C1O,"InChI=1S/C18H18ClNO8/c1-27-14-7-10(21)9(5-11(14)22)20-15(25)4-3-8-16(18(26)28-2)12(23)6-13(24)17(8)19/h5-7,21-24H,3-4H2,1-2H3,(H,20,25)",GUVWEHNRWHNDRF-UHFFFAOYSA-N
DB08465,,"2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE",experimental,,,,,,RDE,,ZINC000036470929,,,,,11840979,COC1=CC(N)=C(OC)C(CCOC(=O)C2=C(O)C=C(O)C(Cl)=C2)=C1OC,"InChI=1S/C18H20ClNO7/c1-24-15-7-12(20)16(25-2)9(17(15)26-3)4-5-27-18(23)10-6-11(19)14(22)8-13(10)21/h6-8,21-22H,4-5,20H2,1-3H3",DFYGLJKFZQGYPA-UHFFFAOYSA-N
DB08466,,"5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol",experimental,,,,,,RE2,,ZINC000000899123,CHEMBL111234,50085531,,4582,185914,OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1,"InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2",HITJFUSPLYBJPE-UHFFFAOYSA-N
DB08467,,"6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID",experimental,,,,,,RE9,,ZINC000015475858,,,,,5289278,O=C(O)\C=C(/C)\C=C\C[C@]1(C)CC2=C(CCCC2(C)C)C1=C,"InChI=1S/C20H28O2/c1-14(12-18(21)22)8-6-11-20(5)13-17-16(15(20)2)9-7-10-19(17,3)4/h6,8,12H,2,7,9-11,13H2,1,3-5H3,(H,21,22)/b8-6+,14-12+/t20-/m1/s1",HEVXQLBAMFMFKU-IAZPEVBMSA-N
DB08469,,"tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate",experimental,,,,,,RF1,,ZINC000053683175,,,,,18690028,CC(C)(C)OC(=O)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1,"InChI=1S/C16H21N3O3S/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)14-17-13(18-22-14)12-5-4-10-23-12/h4-5,10-11H,6-9H2,1-3H3",METBQPRXNZHZMB-UHFFFAOYSA-N
DB08470,,"3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole",experimental,,,,,,RF2,,,,,,,12195517,FC1=CC=C(C=C1)C1=NN=C(N1)C1=CC=CC=C1,"InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)",KMGPJKOKSYGMJD-UHFFFAOYSA-N
DB08471,,"1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine",experimental,,,,,,RF3,,,CHEMBL1235660,50343344,,,1453694,O=C(CC1=CC=CS1)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1,"InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2",SJEVDMFUHCVNPM-UHFFFAOYSA-N
DB08472,100568-03-4,(R)-Fluoxetine,experimental,,,,,,RFX,,ZINC000001530638,CHEMBL153036,50136166,,86991,1548970,CNCC[C@@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1",RTHCYVBBDHJXIQ-MRXNPFEDSA-N
DB08473,53-85-0,Dichlororibofuranosylbenzimidazole,experimental,,,,,,RFZ,,ZINC000003873418,CHEMBL375530,11324,,,5894,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=CC(Cl)=C(Cl)C=C12,"InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1",XHSQDZXAVJRBMX-DDHJBXDOSA-N
DB08474,,3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN,experimental,,,,,,RHS,,ZINC000006591680,,,,,5289290,[H][C@](CC(=O)NC(CC)CC)(C(N)=O)C(C)(C)C,"InChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)/t10-/m0/s1",UVHRROJQACYJNP-JTQLQIEISA-N
DB08475,,"[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate",experimental,,,,,,RIL,,ZINC000033821503,,,,,5289293,CC1(C)OC[C@@H](COP(O)(=O)CCCCC=C)O1,"InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1",BUTLRPVAJSANIT-NSHDSACASA-N
DB08476,,3-AMINO-AZACYCLOTRIDECAN-2-ONE,experimental,,,,,,RIN,,ZINC000005840837,,,,,446676,[H][C@]1(N)CCCCCCCCCCNC1=O,"InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1",CQZLEYBEPASILI-NSHDSACASA-N
DB08478,,N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide,experimental,,,,,,RJ1,,ZINC000000073041,CHEMBL219484,50195102,,,425841,[H]N([H])C(\N=C(N([H])[H])N([H])[H])=N/C1=C(Cl)C=CC(=C1)C(F)(F)F,"InChI=1S/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18)",IGFTZEOFHWPCDL-UHFFFAOYSA-N
DB08479,524055-74-1,"N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide",experimental,,,,,,RJ6,,ZINC000015924296,CHEMBL1235693,,,,2730282,COC1=CC(OC)=CC(NC(=N)NC(N)=N)=C1,"InChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)",VQKIGKHIRBCYNE-UHFFFAOYSA-N
DB08480,,4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN,experimental,,,,,,RM2,,ZINC000038425445,,,,,,[H][C@]1(CCC2=C1C=CC=C2O)\N=C\C=C,"InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,8,11,14H,1,6-7H2/b13-8+/t11-/m1/s1",OFWOPQIDDNCCLL-KAQJVSAMSA-N
DB08481,,4-Methyl-N-[5-(5-methyl-furan-2-ylmethylene)-4-oxo-thiazolidin-2-ylidene]-benzenesulfonamide,experimental,,,,,,RNA,,ZINC000004591645,CHEMBL376044,,,,135643208,[H]N(C1=NC(=O)\C(S1)=C\C1=CC=C(C)O1)S(=O)(=O)C1=CC=C(C)C=C1,"InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-",MXAPQGDBWFYKKX-ZROIWOOFSA-N
DB08482,,[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER,experimental,,,,,,RO4,,ZINC000003801503,CHEMBL92608,50146631,,,5487313,[H][C@@](C)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)CC(=O)NO)C(=O)OCC,"InChI=1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1",XKRONJXEXGFBRZ-ZNMIVQPWSA-N
DB08484,,4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE,experimental,,,,,,ROK,,ZINC000038990438,CHEMBL497689,50272611,,,24856357,NC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCS,"InChI=1S/C9H13N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)11-5-6-16/h1-4,16H,5-6,10H2,(H2,11,12,13)",LHVDNDIAMJOEKH-UHFFFAOYSA-N
DB08485,,"(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID",experimental,,,,,,RP4,,ZINC000016051897,,,,,16058682,[H][C@@]1(O)C[C@@](O)(C=C(C2=CC=CC(SC3=CC=CC=C3)=C2)[C@@]1([H])O)C(O)=O,"InChI=1S/C19H18O5S/c20-16-11-19(24,18(22)23)10-15(17(16)21)12-5-4-8-14(9-12)25-13-6-2-1-3-7-13/h1-10,16-17,20-21,24H,11H2,(H,22,23)/t16-,17-,19+/m1/s1",QMNMNSINKIFYBV-LMMKCTJWSA-N
DB08486,131179-95-8,Efaproxiral,investigational,,L01XD06,,,,RQ3,4465,ZINC000001481819,CHEMBL18901,,RSR-13,,122335,CC1=CC(NC(=O)CC2=CC=C(OC(C)(C)C(O)=O)C=C2)=CC(C)=C1,"InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)",BNFRJXLZYUTIII-UHFFFAOYSA-N
DB08487,,3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE,experimental,,,,,,RRP,,ZINC000002047642,CHEMBL351298,12592,,,447359,NC(=N)C1=CC(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)=CC=C1,"InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)",PRMSFVUWLBPPLY-UHFFFAOYSA-N
DB08488,,"4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE",experimental,,,,,,RRR,,ZINC000006183120,,,,,447360,ClC1=CC=C(S1)\C=C\S(=O)(=O)N1CCN(CC2=CC3=C(N2)C=CN=C3)C(=O)C1,"InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+",PLWVUIRWJVKSSD-XBXARRHUSA-N
DB08489,,"N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE",experimental,,,,,,RRS,,ZINC000003811057,CHEMBL281795,50086884,,,478379,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1,"InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1",GCBPAPVOMPJQHK-NQIIRXRSSA-N
DB08490,193022-04-7,CTS-1027,"['experimental', 'investigational']",,,,,,RS1,,ZINC000001488366,CHEMBL440498,11863,CTS-1027,,3342298,ONC(=O)C1(CS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCOCC1,"InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)",ROSNVSQTEGHUKU-UHFFFAOYSA-N
DB08491,,N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE,experimental,,,,,,RS2,,ZINC000003873598,CHEMBL1235735,50028942,,,4369,ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21)",ARIRIZBKMKMEBD-UHFFFAOYSA-N
DB08492,,(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID,experimental,,,,,,RS7,,ZINC000016052338,,,,,10308106,CCCCCCC#CC1=CC=CC=C1\C=C\C(O)=O,"InChI=1S/C17H20O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)13-14-17(18)19/h8-9,11-14H,2-6H2,1H3,(H,18,19)/b14-13+",KRDSGPLHVQJFLM-BUHFOSPRSA-N
DB08493,,"5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID",experimental,,,,,,RSS,,ZINC000003811056,CHEMBL282146,50284756,,,5289314,[H][C@@](CC(C)C)(CC(O)=O)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1,"InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1",AKWKBACKRMYPRV-NQIIRXRSSA-N
DB08494,,"S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate",experimental,,,,,,RT3,,ZINC000049014194,CHEMBL1078535,50481836,,,24878044,CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC1=C(Cl)C=C(C=C1)S(N)(=O)=O,"InChI=1S/C19H20ClN3O4S2/c1-12-4-7-17-13(9-12)3-2-8-23(17)19(25)28-11-18(24)22-16-6-5-14(10-15(16)20)29(21,26)27/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,24)(H2,21,26,27)",AWAKIULNKVOBKE-UHFFFAOYSA-N
DB08495,,4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE,experimental,,,,,,RTR,,ZINC000002047636,CHEMBL48813,12594,,,447362,NC(=N)C1=CC=C(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C=C1,"InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)",VXONTEUOQXFJJS-UHFFFAOYSA-N
DB08496,40281-89-8,(R)-warfarin,experimental,"['12742309', '11673021', '21692828']",,,,,RWF,,ZINC000084589076,CHEMBL251073,,,87737,54684598,CC(=O)C[C@H](C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1",PJVWKTKQMONHTI-OAHLLOKOSA-N
DB08497,,"(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate",experimental,,,,,,RXB,,ZINC000013683220,,,,,24883486,[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC=C1,"InChI=1S/C19H14N2O6/c1-10(22)27-16(11-6-3-2-4-7-11)19(26)20-13-9-5-8-12-14(13)15(23)18(25)21-17(12)24/h2-9,16H,1H3,(H,20,26)(H,21,24,25)/t16-/m0/s1",NKBDSMREMMRFSI-INIZCTEOSA-N
DB08498,,"(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate",experimental,,,,,,RXC,,ZINC000039127174,,,,,46937155,[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC(Cl)=C1,"InChI=1S/C19H13ClN2O6/c1-9(23)28-16(10-4-2-5-11(20)8-10)19(27)21-13-7-3-6-12-14(13)15(24)18(26)22-17(12)25/h2-8,16H,1H3,(H,21,27)(H,22,25,26)/t16-/m0/s1",OVSAMUIBGQSLDC-INIZCTEOSA-N
DB08499,,"N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide",experimental,,,,,,RXD,,ZINC000039127317,,,,,24883488,FCCOC1=CC=CC(NC(=O)CCC(=O)NC2=CC=C3C(=O)NC(=O)C(=O)C3=C2)=C1,"InChI=1S/C21H18FN3O6/c22-8-9-31-14-3-1-2-12(10-14)23-17(26)6-7-18(27)24-13-4-5-15-16(11-13)19(28)21(30)25-20(15)29/h1-5,10-11H,6-9H2,(H,23,26)(H,24,27)(H,25,29,30)",DQXBKUVWJSZHSI-UHFFFAOYSA-N
DB08500,,"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",experimental,,,,,,S06,,ZINC000038965477,,,,,46937156,[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1",ZCJBDRSKHARECB-PYTCMNEWSA-N
DB08501,,"DIETHYL PROPANE-1,3-DIYLBISCARBAMATE",experimental,,,,,,S10,,ZINC000001648938,,,,,295941,CCOC(=O)NCCCNC(=O)OCC,"InChI=1S/C9H18N2O4/c1-3-14-8(12)10-6-5-7-11-9(13)15-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)",BWWHOVJFNMPUKF-UHFFFAOYSA-N
DB08502,178979-85-6,Capravirine,investigational,16914510,,,,,S11,,ZINC000000538635,CHEMBL435128,27579,CAPRAVIRINE,,1783,CC(C)C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC2=CC=NC=C2)C(COC(N)=O)=N1,"InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)",YQXCVAGCMNFUMQ-UHFFFAOYSA-N
DB08503,,"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",experimental,,,,,,S13,,ZINC000038965475,,,,,46937157,[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC=C(C)C=C1,"InChI=1S/C15H21NO6/c1-8-2-4-9(5-3-8)10-6-15(22-16-10)14(20)13(19)12(18)11(7-17)21-15/h2-5,10-14,16-20H,6-7H2,1H3/t10-,11+,12+,13-,14+,15+/m0/s1",HRCKGDOSPBFICB-MZHQWRCYSA-N
DB08504,,"6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM",experimental,,,,,,S14,,ZINC000014947659,CHEMBL237337,50221972,,,10320144,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)C1=CC=C(C=C1)C1=CN2N=CN=C2C=C1,"InChI=1S/C22H25FN6O2/c1-27(2)21(30)19(20(24)22(31)28-10-9-17(23)12-28)15-5-3-14(4-6-15)16-7-8-18-25-13-26-29(18)11-16/h3-8,11,13,17,19-20H,9-10,12,24H2,1-2H3/t17-,19-,20-/m0/s1",ZNHVIJAGMFQGMS-IHPCNDPISA-N
DB08505,,methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate,experimental,,,,,,S17,,ZINC000016052595,CHEMBL406734,50375546,,,23640756,[H][C@@](CC1=CC=C(Br)C=C1)(NC(=O)CCCCCCC(=O)NO)C(=O)OC,"InChI=1S/C18H25BrN2O5/c1-26-18(24)15(12-13-8-10-14(19)11-9-13)20-16(22)6-4-2-3-5-7-17(23)21-25/h8-11,15,25H,2-7,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1",UPYGSQPRAHMDPD-HNNXBMFYSA-N
DB08506,,N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine,experimental,,,,,,S23,,ZINC000013807005,CHEMBL1235787,,,,10601417,[H][C@@](C)(N)[P@@](O)(=O)C[C@@]([H])(CC1=CC=CC=C1)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C21H27N2O5P/c1-15(22)29(27,28)14-18(12-16-8-4-2-5-9-16)20(24)23-19(21(25)26)13-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14,22H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,18-,19+/m1/s1",MMWNOZXGYRPSCJ-LZQZEXGQSA-N
DB08507,,N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID,experimental,,,,,,S27,,ZINC000001489206,CHEMBL176602,50291979,,,9543420,[H][C@](CC(C)C)(N(CC1=CC=CC=C1)[P@](C)(=O)C1=CC=CC=C1)C(=O)NO,"InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1",KGUVBHLPMGERAT-NIYFSFCBSA-N
DB08508,,N-BENZOYL-D-ALANINE,experimental,,,,,,S2D,,ZINC000082068115,CHEMBL55771,,,,91514,[H][C@](C)(NC(=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1",UAQVHNZEONHPQG-SSDOTTSWSA-N
DB08509,,1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE,experimental,,,,,,S57,,,CHEMBL1235805,,,,1360,COC1=CC(Cl)=C(OCCCCCCN2C=CN=C2)C=C1,"InChI=1S/C16H21ClN2O2/c1-20-14-6-7-16(15(17)12-14)21-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11H2,1H3",UKVVEWLDHJDSNJ-UHFFFAOYSA-N
DB08510,,5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE,experimental,,,,,,S5H,,ZINC000011422518,,,,62043,5289324,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O)C(C)=O,"InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21-,24-,25+/m0/s1",UVTGFMKBPVLATL-DSOJQRAMSA-N
DB08511,,"6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",experimental,,,,,,S60,,,CHEMBL1235810,,,,135566422,CC1=NC2=C(N1)C=C1C(=O)NC(N)=NC1=C2,"InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16)",PLJNUNPYZVVIRA-UHFFFAOYSA-N
DB08512,,"6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",experimental,,,,,,S79,,ZINC000016052484,,,,,135566329,NC1=NC2=CC3=C(C=C2C(=O)N1)N=C(NCC1=CC=CC2=CC=CC=C12)N3,"InChI=1S/C20H16N6O/c21-19-23-15-9-17-16(8-14(15)18(27)26-19)24-20(25-17)22-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H2,22,24,25)(H3,21,23,26,27)",MCEZMMDIEXECTI-UHFFFAOYSA-N
DB08513,,[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID,experimental,,,,,,S91,,ZINC000039018730,,,,,24871491,CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1,"InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25)",PAIQRYUOBBCBSE-UHFFFAOYSA-N
DB08514,,"6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",experimental,,,,,,S98,,ZINC000039714908,CHEMBL1235818,,,,135800218,NC1=NC2=CC3=C(NC(NCC4=CC=CS4)=N3)C=C2C(=O)N1,"InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21)",IQKMJWDYMFWZRF-UHFFFAOYSA-N
DB08515,,"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE",experimental,,,,,,SA1,,ZINC000036470930,,,,,11840981,[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O,"InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1",YVABESCRHMBHJD-FUQNVFFISA-N
DB08516,,(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE],experimental,,,,,,SAG,,ZINC000034883237,,,,,,[H][C@@](C)(\N=C\C1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O,"InChI=1S/C17H17FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-10,12H,11H2,1H3,(H2,19,21)/b20-10+/t12-/m0/s1",RJJDIVMWGWHPFE-QDBSGRMGSA-N
DB08517,2957-21-3,Sakuranetin,experimental,,,,2263158,,SAK,,ZINC000000338284,CHEMBL448297,50312648,,28927,73571,COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",DJOJDHGQRNZXQQ-AWEZNQCLSA-N
DB08519,,"N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",experimental,,,,,,SAV,,ZINC000004617990,CHEMBL479079,26479,,,9822610,COC1=CC(NC2=NC=CC(NC3=CC=C4C(C)=NNC4=C3)=N2)=CC(OC)=C1OC,"InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)",SQQAPOSROFWHIB-UHFFFAOYSA-N
DB08520,,"(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE",experimental,,,,,,SB1,,ZINC000005963681,CHEMBL1235837,50403328,,,445646,[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)CCCCCCCCCCCOC2=O,"InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1",VUCSBBBCFXBFFY-IBGZPJMESA-N
DB08521,652162-77-1,4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine,experimental,,,,,,SB2,,ZINC000018274812,,,,,40467016,C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1,"InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/t27-/m1/s1",CDMGBJANTYXAIV-HHHXNRCGSA-N
DB08522,,4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE,experimental,,,,,,SB6,,ZINC000002047872,CHEMBL96741,15237,,,5171,FC1=CC=C(C=C1)C1=C(N(CC2CC2)C=N1)C1=CC=NC=C1,"InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2",ROKOFZNQCIIJMI-UHFFFAOYSA-N
DB08523,,[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL,experimental,,,,,,SB7,,ZINC000033821513,,,,,5289329,OCN(O)CCCC1=CC=CC=C1,"InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2",GELOPWXSYZDPJT-UHFFFAOYSA-N
DB08524,,2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE,experimental,,,,,,SB8,,ZINC000014976917,,21684,,,5289330,ON(CCOC1=CC=CC(=C1)C(=O)C1=CC=CC=C1)C=O,"InChI=1S/C16H15NO4/c18-12-17(20)9-10-21-15-8-4-7-14(11-15)16(19)13-5-2-1-3-6-13/h1-8,11-12,20H,9-10H2",ZHFKBNAHHTUQBH-UHFFFAOYSA-N
DB08525,,HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE,experimental,,,,,,SB9,,ZINC000014976920,,21685,,,5289331,CC1=NC(CCCN(O)C=O)=CC=C1,"InChI=1S/C10H14N2O2/c1-9-4-2-5-10(11-9)6-3-7-12(14)8-13/h2,4-5,8,14H,3,6-7H2,1H3",FJYUGRZKJXCRFF-UHFFFAOYSA-N
DB08526,,CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE,experimental,,,,,,SBA,,ZINC000033821514,,,,,5289332,[H][C@@](O)(COC)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1,"InChI=1S/C22H36N2O5/c1-15(2)11-18(20(25)14-28-5)23-21(26)19(12-16(3)4)24-22(27)29-13-17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,23,26)(H,24,27)/t18-,19-,20+/m0/s1",LHCNZPLAATYYPI-SLFFLAALSA-N
DB08527,,"1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE",experimental,,,,,,SBC,,ZINC000014945777,CHEMBL360520,7167,,,,NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7H,(H2,16,22)(H,18,19)(H2,17,23,24)",HGAKLLFPOGATII-UHFFFAOYSA-N
DB08528,,"2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE",experimental,,,,,,SBN,,ZINC000000006471,CHEMBL299001,1802,,,1536,CC1=CC(=CC(C)=C1)S(=O)(=O)C1=C(C#N)C(N)=CC=C1,"InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3",SWGDXLAZBZDUBR-UHFFFAOYSA-N
DB08529,,"(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)",experimental,,,,,,SC0,,ZINC000040955640,CHEMBL494708,25277,,,25023881,CCCCC\C=C\CC(C\C=C\CCCCC)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C17H34O6P2/c1-3-5-7-9-11-13-15-17(24(18,19)20,25(21,22)23)16-14-12-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3,(H2,18,19,20)(H2,21,22,23)/b13-11+,14-12+",PFKBXXKNHWTTCS-PHEQNACWSA-N
DB08530,,"7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE",experimental,,,,,,SC3,,,,,,,4747357,CN1C2=C(N(CC3=CC=CC=C3)C(=N2)N2CC[NH2+]CC2)C(=O)N(C)C1=O,"InChI=1S/C18H22N6O2/c1-21-15-14(16(25)22(2)18(21)26)24(12-13-6-4-3-5-7-13)17(20-15)23-10-8-19-9-11-23/h3-7,19H,8-12H2,1-2H3/p+1",QFSMMXJBEBXTJP-UHFFFAOYSA-O
DB08531,,"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,SC8,,ZINC000028957172,CHEMBL403350,,,,21066087,ClC1=CC=CC(=C1Cl)C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1,"InChI=1S/C18H13Cl2N5/c19-14-3-1-2-13(18(14)20)15-10-17(25-16(24-15)6-9-23-25)22-11-12-4-7-21-8-5-12/h1-10,22H,11H2",CVYWYUAQFJMLEO-UHFFFAOYSA-N
DB08532,,"6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine",experimental,,,,,,SC9,,ZINC000033295983,,,,,46937158,FC1=CC=CC=C1C1=CN2C=CN=C2C(NCC2=CC=CN=C2)=N1,"InChI=1S/C18H14FN5/c19-15-6-2-1-5-14(15)16-12-24-9-8-21-18(24)17(23-16)22-11-13-4-3-7-20-10-13/h1-10,12H,11H2,(H,22,23)",WCNPGRRMPFCHEO-UHFFFAOYSA-N
DB08533,,"3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine",experimental,,,,,,SCE,,ZINC000003820150,,,,,9991833,CC1=CN=C2N1C=CN=C2NCC1=CC=NC=C1,"InChI=1S/C13H13N5/c1-10-8-17-13-12(15-6-7-18(10)13)16-9-11-2-4-14-5-3-11/h2-8H,9H2,1H3,(H,15,16)",LXRVAGIYXNQOKP-UHFFFAOYSA-N
DB08534,,"5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,SCF,,,,,,,21066096,FC1=CC=CC=C1C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1,"InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11,21H,12H2",ZAIYYXVHGBMLEC-UHFFFAOYSA-N
DB08535,,"3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,SCJ,,ZINC000028958699,CHEMBL249530,50223586,,,10249180,BrC1=C2N=C(C=C(NCC3=CC=CN=C3)N2N=C1)C1=CC=CC=C1,"InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14/h1-10,12,21H,11H2",SMIZFGZXFDGISG-UHFFFAOYSA-N
DB08536,,"3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine",experimental,,,,,,SCQ,,ZINC000024930139,,,,,10317619,BrC1=C2C=C(C=C(NCC3=CN=CN=C3)N2N=C1)C1=CC=CC=C1,"InChI=1S/C18H14BrN5/c19-16-11-23-24-17(16)6-15(14-4-2-1-3-5-14)7-18(24)22-10-13-8-20-12-21-9-13/h1-9,11-12,22H,10H2",IBUPHWYGVDAASU-UHFFFAOYSA-N
DB08537,,"3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine",experimental,,,,,,SCW,,ZINC000003820146,,,,,10249182,BrC1=CN=C2N1C=C(C=C2NCC1=CN=CN=C1)C1=CC=CC=C1,"InChI=1S/C18H14BrN5/c19-17-10-23-18-16(22-9-13-7-20-12-21-8-13)6-15(11-24(17)18)14-4-2-1-3-5-14/h1-8,10-12,22H,9H2",LZLKFNBMXXLTLX-UHFFFAOYSA-N
DB08538,,"N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,SCX,,ZINC000033295984,,,,,44629554,CCC1=C2N=C(C=C(NCC3=CN=C(N)N=C3)N2N=C1)C1=C(F)C=CC=C1F,"InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25)",HQPVGVSQPQVZLD-UHFFFAOYSA-N
DB08539,,"3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",experimental,,,,,,SCZ,,ZINC000028958727,CHEMBL249736,,,,10042950,C(NC1=CC(=NC2=C(C=NN12)C1CC1)C1=CC=CC=C1)C1=CN=CC=C1,"InChI=1S/C21H19N5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16/h1-7,10-12,14,16,23H,8-9,13H2",CCDIUVLNHCGSMH-UHFFFAOYSA-N
DB08540,,"2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER",experimental,,,,,,SD8,,ZINC000003874949,,,,,5189,CCOC(=O)C1=CSC(=N1)N1CCN(CC1)C1=NC2=CC=CC=C2SC1,"InChI=1S/C18H20N4O2S2/c1-2-24-17(23)14-11-26-18(20-14)22-9-7-21(8-10-22)16-12-25-15-6-4-3-5-13(15)19-16/h3-6,11H,2,7-10,12H2,1H3",AQJQFCRTSWIUCY-UHFFFAOYSA-N
DB08541,,"[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid",experimental,,,,,,SDN,,ZINC000024960091,,,,31034,135440050,[H][C@@]1(CC(O)=O)CC2=CC3=C(C(O)=CC=C3)C(=O)C2=C(C)O1,"InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1",HHXSOTFPYPQSBU-NSHDSACASA-N
DB08542,,"3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione",experimental,,,,,,SDT,,,,,,15896,440483,[H][C@@]12CCC(=O)[C@@]1(C)CCC(=O)[C@@]2([H])CCC1=C(O)C(O)=CC=C1C,"InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1",YUHVBHDSVLKFNI-NJSLBKSFSA-N
DB08543,,1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE,experimental,,,,,,SDZ,,ZINC000031356524,,,,,446129,[H][C@@](O)(COC1=CC=C(C=C1)C1CCCCC1)CN1CCN(CC1)C1=CC=CC=N1,"InChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2/t22-/m0/s1",BZJHCQBNFUNZPJ-QFIPXVFZSA-N
DB08544,100568-02-3,(S)-Fluoxetine,experimental,,,,,,SFX,,ZINC000001530637,CHEMBL1169388,81875,,86992,1548968,CNCC[C@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1",RTHCYVBBDHJXIQ-INIZCTEOSA-N
DB08545,,(1S)-1-Phenylethyl (4-acetamidobenzyl)phosphonate,experimental,,,,,,SH4,,,,,,,5289359,[H]N(C(C)=O)C1=CC=C(CP([O-])(=O)O[C@@H](C)C2=CC=CC=C2)C=C1,"InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1",YPTMOJMDCPUCJT-ZDUSSCGKSA-M
DB08546,,"4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE",experimental,,,,,,SHY,,ZINC000016051594,,,,,4369485,[H][C@]1(O)C[N@]2[C@@]([H])(C1)[C@]1([H])C(=O)N(CC3=CC=C4OCOC4=C3)C(=O)[C@]1([H])[C@]2([H])C1=CC=C(C=C1)C(N)=N,"InChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1",CETLUACQMGBMFH-ZALSBGIRSA-N
DB08547,,PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE,experimental,,,,,,SIH,,ZINC000013512622,,,,45496,5289373,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(C[C@]12C)OC(=O)CCC(O)=O)C(C)=O,"InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25+/m0/s1",JBBNFGYRYNBDIH-DBGGZKJISA-N
DB08548,,"[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate",experimental,,,,,,SIL,,ZINC000033821518,,,,,5289374,CC1(C)OC[C@H](COP(O)(=O)CCCCC=C)O1,"InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m1/s1",BUTLRPVAJSANIT-LLVKDONJSA-N
DB08549,,"(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER",experimental,,,,,,SK2,,ZINC000014952675,CHEMBL1185001,,,,5327153,[H][C@]1(CC2=C(CN1C(=O)OCC1=CC=CC=C1)C=C(NS(O)(=O)=O)C=C2)C(=O)NC,"InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1",MFDBNNQUDZFSES-KRWDZBQOSA-N
DB08550,61563-24-4,"7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline",experimental,,,,,,SKA,,ZINC000024714117,CHEMBL287837,13014,,160129,123920,ClC1=CC=C2CCNCC2=C1Cl,"InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2",WFPUBEDBBOGGIQ-UHFFFAOYSA-N
DB08551,497258-67-0,3-{(R)-(Dihydroxyboryl)[(2-thienylacetyl)amino]methyl}benzoic acid,experimental,,,,,,SM2,,,CHEMBL257468,152694,,,5289377,[H][C@@](NC(=O)CC1=CC=CS1)(B(O)O)C1=CC(=CC=C1)C(O)=O,"InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1",HQLQTGGLHBYZSA-ZDUSSCGKSA-N
DB08552,,(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid,experimental,,,,,,SM3,,ZINC000169748509,CHEMBL404155,,,,5289378,[H][C@@](NC(=O)CC1=CC=CS1)(B(O)O)C1=CC=CC=C1,"InChI=1S/C13H14BNO3S/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2,(H,15,16)/t13-/m0/s1",LGJCDEZMANATFA-ZDUSSCGKSA-N
DB08553,,"(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime",experimental,,,,,,SM5,,ZINC000039110119,CHEMBL526479,50006650,,,11653652,O\N=C1/CCC2=CC(=CC=C12)C1=CN(N=C1C1=CC=NC=C1)C1CCNCC1,"InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24,28H,2,4,7-8,11-12H2/b26-21+",KWEFZSZCLBHIEQ-YYADALCUSA-N
DB08554,,N-(3-carboxypropanoyl)-L-norvaline,experimental,,,,,,SN0,,,,,,,6852189,[H][C@@](CCC)(NC(=O)CCC(O)=O)C(O)=O,"InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1",HRAPDLBXHOBAKA-LURJTMIESA-N
DB08555,,"1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline",experimental,,,,,,SNB,,,CHEMBL1083185,50415612,,,25203945,COC1=CC2=C(C=C1Cl)C(=NCC2)C1=CC=CC(Br)=C1,"InChI=1S/C16H13BrClNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3",IKGXHBGCVQTQBH-UHFFFAOYSA-N
DB08556,,"5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID",experimental,,,,,,SNH,,ZINC000016051918,,,,,9543496,CC(=O)C1=CC=C(S1)C1=CC(NS(=O)(=O)C2=CC=C(C)C=C2C)=C(S1)C(O)=O,"InChI=1S/C19H17NO5S3/c1-10-4-7-17(11(2)8-10)28(24,25)20-13-9-16(27-18(13)19(22)23)15-6-5-14(26-15)12(3)21/h4-9,20H,1-3H3,(H,22,23)",CMHHNHDPPWDNAH-UHFFFAOYSA-N
DB08557,,"2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide",experimental,,,,,,SNX,,ZINC000024981153,CHEMBL410448,,,,24812721,COCCNC1=CC(=CC=C1C(N)=O)N1C2=C(C3=CC=CC=C13)C(=O)CCC2,"InChI=1S/C22H23N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,24H,4,7-8,11-12H2,1H3,(H2,23,27)",XQKFKSJUBJPOLY-UHFFFAOYSA-N
DB08558,,"2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL",experimental,,,,,,SOG,,ZINC000006845558,,,,194397,656909,[H][C@]1(CO)O[C@@]([H])(SCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1",CGVLVOOFCGWBCS-RGDJUOJXSA-N
DB08559,,"N-[(2S,4S,6R)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylacetamide",experimental,,,,,,SOX,,,,,,,5289386,[H][C@@]1(NC(=O)CC2=CC=CC=C2)C(=O)[N@]2[C@]1([H])[S@@]([H])(O)C(C)(C)[C@]2([H])C(O)=O,"InChI=1S/C16H20N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14,23-24H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",WMPGEOZLAYOFHH-MBNYWOFBSA-N
DB08560,,3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE,experimental,,,,,,SP0,,ZINC000001047087,CHEMBL378160,50185943,,,2742752,FC1=CC=C(C=C1)N1N=C(C=C1NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CS1,"InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H",GULUFDCOGAXLEP-UHFFFAOYSA-N
DB08561,,"BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE",experimental,,,,,,SP6,,ZINC000029133346,CHEMBL409536,50234334,,,9896504,O=C(OCC1=CC=CC=C1)C1=CN2C(S1)=CC(=O)N(CC1=CC=CC=C1)C2=O,"InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2",PLBINCOCFGQAJM-UHFFFAOYSA-N
DB08562,,4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID,experimental,,,,,,SPB,,,,,,45573,445650,OC(=O)CCCC(=O)NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1,"InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+",FTXJWRRYLLRFMG-MDZDMXLPSA-N
DB08564,,(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide,experimental,,,,,,SR2,,ZINC000001494103,CHEMBL94061,4583,,,5328969,CN(C)C\C=C\C(=O)NC1=CC=C2N=CN=C(NC3=CC(Br)=CC=C3)C2=C1,"InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+",ZCIXBBSRVLSRJQ-QPJJXVBHSA-N
DB08565,,L-1-naphthyl-2-acetamido-ethane boronic acid,experimental,,,,,,SRB,,ZINC000169748510,,,,,449487,[H]N([C@@H](CC1=CC=CC2=CC=CC=C12)[B-](O)(O)O)C(C)=O,"InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m0/s1",XDFLCBUAVBYWFW-AWEZNQCLSA-N
DB08566,,D-1-naphthyl-2-acetamido-ethane boronic acid,experimental,,,,,,SRD,,ZINC000169748511,,,,,46937161,[H]N(C(C)=O)[C@]([H])(CC1=C2C=CC=CC2=CC=C1)[B-](O)(O)O,"InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m1/s1",XDFLCBUAVBYWFW-CQSZACIVSA-N
DB08568,552325-73-2,A-674563,experimental,,,,,,SS3,,ZINC000016052569,CHEMBL379218,15138,,,11314340,CC1=NNC2=C1C=C(C=C2)C1=CC(OC[C@@H](N)CC2=CC=CC=C2)=CN=C1,"InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1",BPNUQXPIQBZCMR-IBGZPJMESA-N
DB08569,,"3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE",experimental,,,,,,SS4,,ZINC000016052570,CHEMBL229855,16547,,,16122642,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=C(NN=C2C)C=C1)CC1=CC=C(Br)C=C1,"InChI=1S/C22H21BrN4O/c1-14-21-10-16(4-7-22(21)27-26-14)17-9-20(12-25-11-17)28-13-19(24)8-15-2-5-18(23)6-3-15/h2-7,9-12,19H,8,13,24H2,1H3,(H,26,27)/t19-/m0/s1",VLPMRZSKJUTRBQ-IBGZPJMESA-N
DB08570,,4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID,experimental,,,,,,ST1,,ZINC000003833968,CHEMBL324455,50478636,,,3364665,CC(=O)NC1=C(O)C=C(C=C1[N+]([O-])=O)C(O)=O,"InChI=1S/C9H8N2O6/c1-4(12)10-8-6(11(16)17)2-5(9(14)15)3-7(8)13/h2-3,13H,1H3,(H,10,12)(H,14,15)",JIDRTCHFBHJIDG-UHFFFAOYSA-N
DB08571,,4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID,experimental,,,,,,ST2,,ZINC000003581100,CHEMBL109005,,,,446366,CC(=O)NC1=C(N)C=C(C=C1O)C(O)=O,"InChI=1S/C9H10N2O4/c1-4(12)11-8-6(10)2-5(9(14)15)3-7(8)13/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15)",CALDTVBHJMBRTM-UHFFFAOYSA-N
DB08572,,4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE,experimental,,,,,,ST8,,ZINC000003814451,CHEMBL101801,5594,,,5289411,NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C(N=O)C(N)=N2)C=C1,"InChI=1S/C18H22N6O3/c19-15-14(24-26)17(27-10-11-4-2-1-3-5-11)23-18(22-15)21-13-8-6-12(7-9-13)16(20)25/h6-9,11H,1-5,10H2,(H2,20,25)(H3,19,21,22,23)",YBKLJTXDSBEVRV-UHFFFAOYSA-N
DB08573,,3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID,experimental,,,,,,STC,,ZINC000000116295,CHEMBL372227,50167950,,,446853,OC(=O)C1=C(C=CS1)S(=O)(=O)NC1=CC=C(Cl)C=C1,"InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)",YRWKEEDITQJPCZ-UHFFFAOYSA-N
DB08574,,"(5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one",experimental,,,,,,STF,,ZINC000034883654,,,,,23586154,FC(F)(F)C1=CC=C(C[C@H]2SC(=S)NC2=O)C=C1,"InChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/s1",HBYVUUWMCCSRBI-MRVPVSSYSA-N
DB08575,,"2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM",experimental,,,,,,STS,,,,,,,5289417,[H][C@](CS)(CC1=CC=CC=C1)C1=NC2=C(N1)C=C[NH+]=C2,"InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1",DCUCDCAIOMIBEA-GFCCVEGCSA-O
DB08576,,"1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE",experimental,,,,,,STX,,ZINC000016051638,,,,,6852124,CNCC(=O)C1=NN=C(O1)C(C)(C)C,"InChI=1S/C9H15N3O2/c1-9(2,3)8-12-11-7(14-8)6(13)5-10-4/h10H,5H2,1-4H3",CLBJJWUUSJAAPJ-UHFFFAOYSA-N
DB08577,,3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE,experimental,,,,,,SU1,,ZINC000003815485,CHEMBL89363,4882,,,5289418,CC1=CNC(\C=C2/C(=O)NC3=CC=CC=C23)=C1CCC(O)=O,"InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-",JNDVEAXZWJIOKB-JYRVWZFOSA-N
DB08578,,4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid,experimental,,,,,,SX2,,ZINC000000187925,CHEMBL1236104,,,,4284847,OC(=O)CCC(=O)NC1=CC=C(Br)C=N1,"InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)",XFYYQDHEDOXWGA-UHFFFAOYSA-N
DB08579,,"4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline",experimental,,,,,,SX3,,,CHEMBL402626,,,,24764440,[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=CC(Br)=CC=C1N,"InChI=1S/C14H19BrN2O/c1-9-5-10(2)8-17(7-9)14(18)12-6-11(15)3-4-13(12)16/h3-4,6,9-10H,5,7-8,16H2,1-2H3/t9-,10+",IUPOWBZLJSPZFT-AOOOYVTPSA-N
DB08580,,4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline,experimental,,,,,,SX4,,ZINC000024978144,,,,,24764441,[H][C@]1(CC2=C(Cl)C=CC=C2)CCCN1C(=O)C1=CC(Br)=CC=C1N,"InChI=1S/C18H18BrClN2O/c19-13-7-8-17(21)15(11-13)18(23)22-9-3-5-14(22)10-12-4-1-2-6-16(12)20/h1-2,4,6-8,11,14H,3,5,9-10,21H2/t14-/m1/s1",JEGGWFHNKPRKTO-CQSZACIVSA-N
DB08581,,"4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid",experimental,,,,,,SX5,,ZINC000024978147,CHEMBL256528,,,,24764442,[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=CC(Br)=CC=C1NC(=O)CCC(O)=O,"InChI=1S/C18H23BrN2O4/c1-11-7-12(2)10-21(9-11)18(25)14-8-13(19)3-4-15(14)20-16(22)5-6-17(23)24/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,20,22)(H,23,24)/t11-,12+",JSVSGWHGYIDZFX-TXEJJXNPSA-N
DB08582,,"N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide",experimental,,,,,,SX6,,ZINC000024978180,CHEMBL402315,,,,24764443,[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=C(NC(=O)CCC(=O)N2CCOCC2)C=CC(Br)=C1,"InChI=1S/C22H30BrN3O4/c1-15-11-16(2)14-26(13-15)22(29)18-12-17(23)3-4-19(18)24-20(27)5-6-21(28)25-7-9-30-10-8-25/h3-4,12,15-16H,5-11,13-14H2,1-2H3,(H,24,27)/t15-,16+",DELARNBPJXTDBD-IYBDPMFKSA-N
DB08583,,"2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide",experimental,,,,,,SX7,,ZINC000044459878,,,,,135566433,CCN1N=CC=C1C1=CNC2=NC=C(C=C12)C1=CC(C(=O)N(C)C)=C(N)C=C1,"InChI=1S/C21H22N6O/c1-4-27-19(7-8-25-27)17-12-24-20-15(17)10-14(11-23-20)13-5-6-18(22)16(9-13)21(28)26(2)3/h5-12H,4,22H2,1-3H3,(H,23,24)",INAGORZAOFUKOZ-UHFFFAOYSA-N
DB08585,,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate",experimental,,,,,,SXH,,ZINC000053683237,,,,,25220903,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(C)(C)COP(O)(O)=O,"InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/m1/s1",KGMBPSVUBJAAEN-OAHLLOKOSA-N
DB08586,,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",experimental,,,,,,SXO,,ZINC000053683241,,,,,25220904,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCC)C(C)(C)COP(O)(O)=O,"InChI=1S/C19H37N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h17,24H,4-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/t17-/m1/s1",JIQRMRIKUIPMRV-QGZVFWFLSA-N
DB08587,7362-37-0,Sinapic acid,experimental,,,,,,SXX,,ZINC000000153654,CHEMBL109341,50341142,,15714,637775,COC1=CC(\C=C\C(O)=O)=CC(OC)=C1O,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",PCMORTLOPMLEFB-ONEGZZNKSA-N
DB08588,,2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE,experimental,,,,,,SY1,,ZINC000006716417,CHEMBL227954,16272,,,23647311,[H][C@@]1(N)CCCN(C1)C1=NC2=C(C=CC=C2)C(=O)N1CC1=C(C=CC=C1)C#N,"InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1",OYNURZXTLNNKAP-QGZVFWFLSA-N
DB08589,,SYRINGATE,experimental,,,,,,SYR,,ZINC000000394334,CHEMBL1236122,,,45820,70164,COC(=O)C1=CC(OC)=C(O)C(OC)=C1,"InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3",ZMXJAEGJWHJMGX-UHFFFAOYSA-N
DB08590,,1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE,experimental,,,,,,T12,,,CHEMBL1236126,50040726,,,11987888,CC(C)(C)C(=O)OC1=CC=C2N(CCCO)C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)=NC2=C1,"InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)",CEAYRKIZESVQSN-UHFFFAOYSA-N
DB08591,,"5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE",experimental,,,,,,T1D,,ZINC000006406655,CHEMBL193233,50166435,,,4369451,COC1=CC=C(C=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1,"InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)",IGXKSKWHHHYBFM-UHFFFAOYSA-N
DB08593,,"1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE",experimental,,,,,,T2D,,ZINC000006475522,CHEMBL190801,50166434,,,4369452,O=C1CN(C2=CC=CC=C2)S(=O)(=O)N1,"InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)",LDCZCUKQWRZSDT-UHFFFAOYSA-N
DB08594,,TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE,experimental,,,,,,T2M,,ZINC000033821524,,,,,5289428,CN(NC(=O)OC(C)(C)C)C#N,"InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)9-10(4)5-8/h1-4H3,(H,9,11)",SWELYBAPJHIOQT-UHFFFAOYSA-N
DB08595,,"4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",experimental,,,,,,T3O,,ZINC000002496982,,,,,15942662,[H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1,"InChI=1S/C17H22O2/c1-11-4-7-13-10-15(11)16(19-17(13,2)3)12-5-8-14(18)9-6-12/h4-6,8-9,13,15-16,18H,7,10H2,1-3H3/t13-,15-,16-/m0/s1",BBZPJHFECDCNGT-BPUTZDHNSA-N
DB08596,,5'-deoxy-5'-piperidin-1-ylthymidine,experimental,,,,,,T3S,,ZINC000040864131,CHEMBL460910,50292717,,,25147494,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CN1CCCCC1)N1C=C(C)C(=O)NC1=O,"InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1",GMOUOGHZJCSNOZ-YNEHKIRRSA-N
DB08597,866405-64-3,Dorsomorphin,experimental,,,,,,TAK,,ZINC000013829435,CHEMBL478629,50262685,,78510,11524144,C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1,"InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2",XHBVYDAKJHETMP-UHFFFAOYSA-N
DB08598,126347-69-1,R-82913,experimental,,,,,,TB9,,,CHEMBL293498,1868,,,3000237,C[C@H]1CN2C(=S)NC3=CC(Cl)=CC(CN1CC=C(C)C)=C23,"InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1",RCSLUNOLLUVOOG-NSHDSACASA-N
DB08599,,N-[(4-methoxyphenyl)sulfonyl]-D-alanine,experimental,,,,,,TBL,,ZINC000000091137,,,,,705712,[H][C@](C)(NS(=O)(=O)C1=CC=C(OC)C=C1)C(O)=O,"InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1",XTCIPBHRVYICGT-SSDOTTSWSA-N
DB08600,137332-54-8,Tivirapine,experimental,,,,,,TBO,,,CHEMBL58711,50369418,,,3000323,[H]N1C(=S)N2C[C@H](C)N(CC=C(C)C)CC3=C(Cl)C=CC1=C23,"InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1",ZNFFMCYSMBXZQU-NSHDSACASA-N
DB08601,688-73-3,Tributyltin,experimental,,,,,,TBY,,ZINC000169743102,,,,27086,5948,[H][Sn](CCCC)(CCCC)CCCC,"InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;",DBGVGMSCBYYSLD-UHFFFAOYSA-N
DB08602,,"3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one",experimental,,,,,,TC8,,ZINC000039259369,CHEMBL1236215,50532270,,,25229546,CSC1=NC2=CC=CC=C2C(=O)N1C1=C(F)C=CC=C1F,"InChI=1S/C15H10F2N2OS/c1-21-15-18-12-8-3-2-5-9(12)14(20)19(15)13-10(16)6-4-7-11(13)17/h2-8H,1H3",BFNBJSXMXXQLAW-UHFFFAOYSA-N
DB08603,,N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide,experimental,,,,,,TCK,,ZINC000001532775,CHEMBL466465,50354886,,9640,73094,[H][C@@](CCCCN)(NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)CCl,"InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1",RDFCSSHDJSZMTQ-ZDUSSCGKSA-N
DB08604,3380-34-5,Triclosan,"['approved', 'investigational']","['15073159', '10722890', '12384334', '10196195']","['D09AA06', 'D08AE04']",D06226,10795,,TCL,3631,ZINC000000002216,CHEMBL849,8726,TRICLOSAN,164200,5564,OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",XEFQLINVKFYRCS-UHFFFAOYSA-N
DB08605,,"6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL",experimental,,,,,,TDB,,,CHEMBL174539,,,,171833,CCCS(=O)(=O)N1N=CC2=C(C=C(C)S2)B1O,"InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3",TVXLILKNSPCVRB-UHFFFAOYSA-N
DB08606,,"(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL",experimental,,,,,,TDI,,ZINC000011686540,CHEMBL405346,22113,,,656970,[H][C@]1(O)CN(CC2=CNC3=C(N)N=CN=C23)C[C@]1([H])CSC,"InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1",NTHMDFGHOCNNOE-ZJUUUORDSA-N
DB08607,,"(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE",experimental,,,,,,TDZ,,ZINC000000968278,,,,,9824580,[H][C@]1(CC2=CC=C(OC[C@@]3(C)CCC4=C(C)C(O)=C(C)C(C)=C4O3)C=C2)SC(=O)NC1=O,"InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1",GXPHKUHSUJUWKP-NTKDMRAZSA-N
DB08608,,"4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE",experimental,,,,,,TF1,,ZINC000003941524,CHEMBL316388,50236533,,,6102761,[H][C@@]1(C)CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@]([H])(C)CN1C(=O)C1=CC=C(C=C1)C#N,"InChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1",IWFSHKKFDSWNLZ-BWACUDIHSA-N
DB08609,,"(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide",experimental,,,,,,TF2,,ZINC000001547315,,,,,6102762,[H]N(C(=O)C(C)(O)C(F)(F)F)C1=C(C)C=C(C=C1)S(=O)(=O)N(CC)C1=CC=CC=C1,"InChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1",SHEIQJGQDUYUBE-GOSISDBHSA-N
DB08610,,N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE,experimental,,,,,,TF3,,ZINC000016051834,CHEMBL1236255,50529882,,,6102763,CC(C)C1=CC=C(COC2=C(Cl)C=C(CC(=O)NCCN)C=C2)C=C1,"InChI=1S/C20H25ClN2O2/c1-14(2)17-6-3-15(4-7-17)13-25-19-8-5-16(11-18(19)21)12-20(24)23-10-9-22/h3-8,11,14H,9-10,12-13,22H2,1-2H3,(H,23,24)",DFXJYVQAAFOZDP-UHFFFAOYSA-N
DB08611,,"2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL",experimental,,,,,,TF5,,ZINC000053683246,,,,,46937163,OCCOC1=C(C=CC=C1)C1=C(F)C(F)=C(F)C=C1,"InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2",AGXPXFPIOHNDAN-UHFFFAOYSA-N
DB08612,,"1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE",experimental,,,,,,TFC,,ZINC000034803731,CHEMBL89506,50371970,,,146089,CCCCCCCCSCC(=O)C(F)(F)F,"InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3",WMQHRXUKAYSPPK-UHFFFAOYSA-N
DB08613,,"2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL",experimental,,,,,,TFG,,ZINC000016052634,,,,,24836810,OC(O)(C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1)C(F)(F)F,"InChI=1S/C19H16F3N3O3S/c20-19(21,22)18(27,28)15-7-6-14(29-15)17(26)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10,27-28H,8-9,11H2",OFBFUNBBOQCNFX-UHFFFAOYSA-N
DB08614,,"3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE",experimental,,,,,,TFK,,ZINC000003870910,,,,,5289460,[H][C@](NC(=O)CN1C(=O)C(NS(=O)(=O)NC)=CC=C1C1=CC=CC=C1)(C(C)C)C(=O)C(F)(F)F,"InChI=1S/C20H23F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17,24,26H,11H2,1-3H3,(H,25,28)/t17-/m0/s1",MYFMPKCOIMRDDD-KRWDZBQOSA-N
DB08615,,"2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM",experimental,,,,,,TFL,,ZINC000038539054,,,,,24832019,CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1,"InChI=1S/C16H16N2OS/c1-17(2)12-6-4-11(5-7-12)16-18(3)14-9-8-13(19)10-15(14)20-16/h4-10H,1-3H3/p+1",NOVJJPLRUMZSDK-UHFFFAOYSA-O
DB08617,,"4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE",experimental,,,,,,TFQ,,ZINC000024981830,,,,,24764430,[H][C@](N)(CC1=CC=C(CC(F)(F)F)C=C1)C(O)=O,"InChI=1S/C11H12F3NO2/c12-11(13,14)6-8-3-1-7(2-4-8)5-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1",VXIZYDKGLBPCAQ-VIFPVBQESA-N
DB08618,,3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER,experimental,,,,,,TGN,,ZINC000016051773,,,,273574,644013,[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@]([H])(C2)O[P@](O)(=O)C1=CC=CC=C1,"InChI=1S/C16H22NO5P/c1-17-11-8-9-13(17)15(16(18)21-2)14(10-11)22-23(19,20)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3,(H,19,20)/t11-,13+,14-,15+/m0/s1",WJTKWTJTOSZMKO-PMOUVXMZSA-N
DB08619,521-15-3,Testosterone succinate,experimental,,,,,,TH2,,ZINC000004025723,,,,,119202,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O,"InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1",CJQNBXFUHQZFOE-VYAQIDIUSA-N
DB08620,111988-49-9,Thiacloprid,experimental,,,,,,TH4,,ZINC000013828082,CHEMBL451432,50251868,,39176,,ClC1=CC=C(CN2CCS\C2=N/C#N)C=N1,"InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-",HOKKPVIRMVDYPB-UVTDQMKNSA-N
DB08621,15318-45-3,Thiamphenicol,"['experimental', 'investigational']",,"['J01BA02', 'J01BA52']",,10463,,TH8,2624,ZINC000000538440,CHEMBL1236282,58925,THIAMPHENICOL,32215,27200,[H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1",OTVAEFIXJLOWRX-NXEZZACHSA-N
DB08622,,"4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL",experimental,,,,,,THK,,,,,,,127702,OC1(CCN(CCCC2(SCCS2)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1,"InChI=1S/C23H27ClFNOS2/c24-20-6-2-18(3-7-20)22(27)11-14-26(15-12-22)13-1-10-23(28-16-17-29-23)19-4-8-21(25)9-5-19/h2-9,27H,1,10-17H2",KVDKNVPAAQKHKD-UHFFFAOYSA-N
DB08623,,"2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID",experimental,,,,,,THN,,ZINC000006293333,,,,,46937164,[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)C1=N[C@]([H])(C(O)=O)C(=C)CS1,"InChI=1S/C14H14N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,10-11H,1,5-6H2,(H,15,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",VBBNCGUNWSPHOY-QWRGUYRKSA-N
DB08624,,"1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine",experimental,,,,,,THZ,,ZINC000053683253,CHEMBL2089125,50420340,,,46937165,N[C@@H](CCCNC(N)=N)C(=O)C1=NC2=CC=CC=C2S1,"InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1",MAJHCCQPIDXPAN-QMMMGPOBSA-N
DB08626,76721-89-6,Thiorphan,experimental,,,,,,TIO,,ZINC000003872336,CHEMBL298827,50024102,,,4369380,[H][C@](CS)(CC1=CC=CC=C1)C(=O)NCC(O)=O,"InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1",LJJKNPQAGWVLDQ-SNVBAGLBSA-N
DB08627,,"(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE",experimental,,,,,,TL5,,ZINC000053160904,,,,,135399633,C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)=C1O,"InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,13H,1-4H3/b6-5+,8-7+/t12-/m1/s1",FVTQYHVYLPKMOX-SJFBBLFCSA-N
DB08628,,"(5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE",experimental,,,,,,TL6,,,,,,,135411036,CC1=C(O)[C@](C)(SC1=O)\C=C\C=C,"InChI=1S/C10H12O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4-6,11H,1H2,2-3H3/b6-5+/t10-/m1/s1",TXGVAQMIEXZDPM-BRAIEQGRSA-N
DB08629,,"N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE",experimental,,,,,,TLX,,ZINC000033821533,,,,,5289474,[H][C@](N)(CC(C)C)CN1CCC[N@@]2CCC[C@@]12[H],"InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1",SOQLOPQBSFMPNJ-QWHCGFSZSA-N
DB08631,,"N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",experimental,,,,,,TMJ,,ZINC000013766750,CHEMBL286497,50061310,,,12606920,ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1,"InChI=1S/C15H15ClN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2",UVSIFVBCHJEYJP-UHFFFAOYSA-N
DB08632,554-95-0,Trimesic acid,experimental,,,,,,TMM,,ZINC000000391981,CHEMBL77562,50080275,,46032,11138,OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O,"InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",QMKYBPDZANOJGF-UHFFFAOYSA-N
DB08633,129298-91-5,TNP-470,investigational,,,,,,TN4,,ZINC000003914617,CHEMBL424278,17446,O-CHLOROACETYLCARBAMOYLFUMAGILLOL,90748,369976,[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1([H])[C@]([H])(OC)[C@@]([H])(CC[C@]11CO1)OC(=O)NC(=O)CCl,"InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1",MSHZHSPISPJWHW-PVDLLORBSA-N
DB08634,,6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL,experimental,,,,,,TNK,,ZINC000003580965,CHEMBL436546,50050533,,45910,446515,CC(C)C1=C(CC2=CC=CC=C2)N(COCC2=CC=CC=C2)C(=O)NC1=O,"InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)",KSAAUHMSLCPIEX-UHFFFAOYSA-N
DB08635,,N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID,experimental,,,,,,TNS,,ZINC000058650441,,,,46151,11963512,CN(CCCCC(O)=O)C1=CC=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C1,"InChI=1S/C20H22N2O4/c1-21(15-3-2-4-20(23)24)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)22(25)26/h5-14H,2-4,15H2,1H3,(H,23,24)/b6-5+",QLLZAVDYYAQESE-AATRIKPKSA-N
DB08636,90293-62-2,2-Hydroxybenzalpyruvate,experimental,,,,,,TOH,,,,,,59354,5280911,OC(=O)C(=O)\C=C\C1=CC=CC=C1O,"InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)/b6-5+",HMXOGGUFCBUALL-AATRIKPKSA-N
DB08637,,4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID,experimental,,,,,,TOM,,ZINC000053683259,,,,,131704311,[H]\C(=C(/[H])C1=CC=CC=C1OC)C(=O)C(O)=O,"InChI=1S/C11H10O4/c1-15-10-5-3-2-4-8(10)6-7-9(12)11(13)14/h2-7H,1H3,(H,13,14)/b7-6-",QGTBUESLYPYXRT-SREVYHEPSA-N
DB08638,,1-hydroperoxy-L-tryptophan,experimental,,,,,,TOX,,ZINC000098209458,,,,,131704312,N[C@@H](CC1=CN(OO)C2=CC=CC=C12)C(O)=O,"InChI=1S/C11H12N2O4/c12-9(11(14)15)5-7-6-13(17-16)10-4-2-1-3-8(7)10/h1-4,6,9,16H,5,12H2,(H,14,15)/t9-/m0/s1",STOHYHPMXPRWTJ-VIFPVBQESA-N
DB08639,244767-67-7,Dapivirine,investigational,,G01AX17,,,,TPB,,ZINC000000007761,CHEMBL70663,50467334,R-147681,,214347,CC1=CC(C)=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(C)=C1,"InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)",ILAYIAGXTHKHNT-UHFFFAOYSA-N
DB08640,,"(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID",experimental,,,,,,TPX,,ZINC000003870379,,,,,6323526,[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,"InChI=1S/C14H19NO5S/c1-3-11(9-16)13(14(17)18)8-15-21(19,20)12-6-4-10(2)5-7-12/h4-7,9,11,13,15H,3,8H2,1-2H3,(H,17,18)/t11-,13-/m1/s1",IDDWUPNJUMHKFQ-DGCLKSJQSA-N
DB08641,,"(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID",experimental,,,,,,TPY,,ZINC000003870383,,,,,6323527,[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,"InChI=1S/C13H16N2O7S/c1-2-9(8-16)12(13(17)18)7-14-23(21,22)11-5-3-10(4-6-11)15(19)20/h3-6,8-9,12,14H,2,7H2,1H3,(H,17,18)/t9-,12-/m1/s1",JPQYVEFTAZEPOD-BXKDBHETSA-N
DB08642,,"(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine",experimental,,,,,,TQD,,ZINC000038377675,,,,,46937168,COC1=CC(=CC(OC)=C1OC)N(C)C[C@H]1CCC2=C(C1)C(N)=N[C@H](N)N2,"InChI=1S/C19H29N5O3/c1-24(12-8-15(25-2)17(27-4)16(9-12)26-3)10-11-5-6-14-13(7-11)18(20)23-19(21)22-14/h8-9,11,19,22H,5-7,10,21H2,1-4H3,(H2,20,23)/t11-,19+/m0/s1",JJWPLCQODKLEHY-JEOXALJRSA-N
DB08643,,2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER,experimental,,,,,,TR1,,ZINC000053683264,,,,,4369141,[H][C@@](CS)(NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NCC(=O)N[C@@]([H])(C(C)C)C(=O)OC,"InChI=1S/C24H31N3O4S/c1-16(2)22(24(30)31-3)27-21(28)14-26-23(29)20(15-32)25-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20,22,25,32H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t20-,22-/m0/s1",QFAWBPLETHINFK-UNMCSNQZSA-N
DB08644,,{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER,experimental,,,,,,TRL,,ZINC000038321466,,,,,6323528,[H][C@@](CC)(C=O)[C@@]1([H])N(CC[C@]1([H])NS(C)(=O)=O)C(=O)[C@@]([H])(NC(=O)OC(C)(C)C)C(C)C,"InChI=1S/C19H35N3O6S/c1-8-13(11-23)16-14(21-29(7,26)27)9-10-22(16)17(24)15(12(2)3)20-18(25)28-19(4,5)6/h11-16,21H,8-10H2,1-7H3,(H,20,25)/t13-,14+,15+,16-/m1/s1",NOWIRVOXJOWTSQ-FXUDXRNXSA-N
DB08645,,"6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE",experimental,,,,,,TRU,,ZINC000000897236,CHEMBL1231193,,,,6604229,[H][C@]1(NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O)C(Cl)Cl,"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1",LMJSLTNSBFUCMU-MRVPVSSYSA-N
DB08646,,TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL,experimental,,,,,,TRW,,ZINC000100036939,,,,,46937169,[H][C@](N)(CC1=CNC2=C1C=CC(NNC1=CC=CC=C1)=C2O)C=O,"InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1",PSUOZWHAKZSNOB-LBPRGKRZSA-N
DB08647,,Trazeolide,experimental,,,,,,TRZ,,ZINC000006522174,,,,46099,444705,[H][C@]1(C)[C@]([H])(C(C)C)C2=C(C=C(C)C(=C2)C(=O)CCC(O)=O)C1(C)C,"InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1",YUTXECPABXNXPU-DJJJIMSYSA-N
DB08648,,"8-Hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid",experimental,,,,,,TSA,,ZINC000005851130,CHEMBL197577,50173884,,,445314,[H][C@]12C[C@](C[C@H](O1)C(O)=O)(C=C[C@H]2O)C(O)=O,"InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1",KRZHNRULRHECRF-JQCUSGDOSA-N
DB08649,,(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL,experimental,,,,,,TSC,,ZINC000053683275,,,,46144,20846113,[H][C@](N)(O)CC1=CNC2=CC=CC=C12,"InChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1",WNWJSYYPDDQIQV-JTQLQIEISA-N
DB08651,,3'-THIO-THYMIDINE-5'-PHOSPHATE,experimental,,,,,,TSP,,ZINC000033516765,,,,,46937170,[H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O,"InChI=1S/C10H15N2O7PS/c1-5-3-12(10(14)11-9(5)13)8-2-7(21)6(19-8)4-18-20(15,16)17/h3,6-8,21H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)/t6-,7+,8-/m1/s1",BORVFKJZAOEGOO-GJMOJQLCSA-N
DB08652,879-37-8,Indoleacetamide,experimental,,,,,,TSR,,ZINC000000409269,,,,16031,397,NC(=O)CC1=CNC2=CC=CC=C12,"InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)",ZOAMBXDOGPRZLP-UHFFFAOYSA-N
DB08653,61-54-1,Tryptamine,experimental,,,,,,TSS,,ZINC000000120144,CHEMBL6640,50024210,,16765,1150,NCCC1=CNC2=CC=CC=C12,"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2",APJYDQYYACXCRM-UHFFFAOYSA-N
DB08654,,"TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL",experimental,,,,,,TTL,,ZINC000008699423,CHEMBL46439,50023139,,,6420130,[H][C@]1(N)CCC2=CC=CC=C2[C@]1([H])O,"InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10-/m0/s1",IIMSEFZOOYSTDO-UWVGGRQHSA-N
DB08655,,"9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE",experimental,,,,,,TTR,,ZINC000000393073,CHEMBL1236441,50158692,,,853608,CC(=O)N1C2=CC=CC=C2C2=C1C(=O)CCC2,"InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3",MIGJEXKBUJPKJF-UHFFFAOYSA-N
DB08656,,5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide,experimental,,,,,,TTT,,ZINC000043012570,CHEMBL549695,31524,,167176,24941262,[H][C@](C)(NC(=O)C1=C(C)C=CC(N)=C1)C1=CC=CC2=C1C=CC=C2,"InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1",UVERBUNNCOKGNZ-CQSZACIVSA-N
DB08657,,2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID,experimental,,,,,,TUI,,ZINC000024952251,CHEMBL1206212,,,,17758816,OC(=O)COC1=CC=C(C=C1)C1=CNC(CNC(=O)NC2=NC=C(SC3=NC=CC=C3)S2)=N1,"InChI=1S/C21H18N6O4S2/c28-18(29)12-31-14-6-4-13(5-7-14)15-9-23-16(26-15)10-24-20(30)27-21-25-11-19(33-21)32-17-3-1-2-8-22-17/h1-9,11H,10,12H2,(H,23,26)(H,28,29)(H2,24,25,27,30)",SSXCWVOQWRUMGN-UHFFFAOYSA-N
DB08658,,Ethyl hydrogen diethylamidophosphate,experimental,,,,,,TUN,,,,,,,15083623,CCO[P@](O)(=O)N(CC)CC,"InChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9)",DUNFIZRDIMDMIH-UHFFFAOYSA-N
DB08659,,2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide,experimental,,,,,,TUO,,,CHEMBL262628,25904,,,14611919,NNC(=O)C1=C(C2=C(N1)C=CC(=C2)S(N)(=O)=O)C1=CC=CC=C1,"InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)",PPDLAUCFAOODER-UHFFFAOYSA-N
DB08660,81-61-8,Quinalizarin,experimental,,,,,,TXQ,,ZINC000003874832,CHEMBL29898,50041419,,37495,5004,OC1=CC=C(O)C2=C1C(=O)C1=C(C(O)=C(O)C=C1)C2=O,"InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H",VBHKTXLEJZIDJF-UHFFFAOYSA-N
DB08661,,"1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",experimental,,,,,,TXS,,ZINC000053683282,,,,,25147495,[H][C@@]1(O)C[C@]([H])(O[C@@]1([H])CN1CCCC1)N1C=C(C)C(=O)NC1=O,"InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1",XUSBTLVYPZUOAW-WOPDTQHZSA-N
DB08662,,3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE,experimental,,,,,,U01,,ZINC000016051572,,,,,54693872,[H][C@](C(C)C)(C1=CC=C(Br)C=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,"InChI=1S/C19H17BrO3/c1-11(2)16(12-7-9-13(20)10-8-12)17-18(21)14-5-3-4-6-15(14)23-19(17)22/h3-11,16,21H,1-2H3/t16-/m0/s1",KGDWLSFLMSFPSU-INIZCTEOSA-N
DB08663,,4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE,experimental,,,,,,U03,,ZINC000100036950,,,,,54736485,[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=C(OC)C=C2,"InChI=1S/C19H18O4/c1-3-14(12-7-5-4-6-8-12)17-18(20)15-10-9-13(22-2)11-16(15)23-19(17)21/h4-11,14,20H,3H2,1-2H3/t14-/m0/s1",CCPGCKQLIHGSCJ-AWEZNQCLSA-N
DB08664,,({3-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester,experimental,,,,,,U04,,ZINC000100036952,,1924,,,54689025,CC[C@@H](C1=CC(NC(=O)CNC(=O)OC(C)(C)C)=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O,"InChI=1S/C25H28N2O6/c1-5-17(21-22(29)18-11-6-7-12-19(18)32-23(21)30)15-9-8-10-16(13-15)27-20(28)14-26-24(31)33-25(2,3)4/h6-13,17,29H,5,14H2,1-4H3,(H,26,31)(H,27,28)/t17-/m0/s1",QUQQVMVIWCUYFV-KRWDZBQOSA-N
DB08665,,"6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE",experimental,,,,,,U05,,,CHEMBL71927,1642,,,447012,CCN1C2=CC(=CC=C2N(C)C(=O)C2=C1N=CC=C2)[N+]([O-])=O,"InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3",YCFJZPGDTZVVSM-UHFFFAOYSA-N
DB08666,,5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine,experimental,,,,,,U12,,ZINC000138025575,,17853,,,11840988,FC(F)(F)C1=CC(NN=C2C(=N)N=NC2=N)=CC=C1,"InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14-16H",UWZUKULUSUBUOU-UHFFFAOYSA-N
DB08667,,4-(4-fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine,experimental,,,,,,U13,,ZINC000138025689,,17857,,,11840989,FC1=CC=C(NN=C2C(=N)N=NC2=N)C=C1,"InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H",XCDRRKZJZOYQRS-UHFFFAOYSA-N
DB08668,,3-(5-Amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid,experimental,,,,,,U14,,ZINC000138025793,,17860,,,11840990,OC(=O)C1=CC(NN=C2C(=N)N=NC2=N)=CC=C1,"InChI=1S/C10H8N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,11-13H,(H,17,18)",MBYHOWWAJOLPNG-UHFFFAOYSA-N
DB08669,,"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE",experimental,,,,,,U15,,ZINC000016052079,,,,,6914647,[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C)C=C1)C(=O)N[C@]([H])(CC(C)C)C(=O)OC,"InChI=1S/C20H31N3O5/c1-11(2)10-15(20(27)28-5)23-18(25)13(4)22-19(26)17(24)16(21)14-8-6-12(3)7-9-14/h6-9,11,13,15-17,24H,10,21H2,1-5H3,(H,22,26)(H,23,25)/t13-,15+,16+,17-/m0/s1",BMHZOSJVDHAFEE-SVGFKBNWSA-N
DB08670,,"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE",experimental,,,,,,U16,,ZINC000016052056,,,,,6914648,[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C=C1)C(C)C)C(=O)N[C@]([H])(CC(C)C)C(=O)OC,"InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1",WIWZNHHLFMPGGO-PIKADFDJSA-N
DB08671,,5-Imino-4-(2-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine,experimental,,,,,,U19,,ZINC000138025921,,17854,,,11840992,FC(F)(F)C1=CC=CC=C1NN=C1C(=N)N=NC1=N,"InChI=1S/C10H7F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,14-16H",AXVCAYVDTZRQAC-UHFFFAOYSA-N
DB08672,,4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE,experimental,,,,,,U1N,,ZINC000014958614,CHEMBL218289,15464,,,15991577,[H][C@@](C)(CCC1=CC=C(C=C1)C(N)=O)NCC(=O)C1=CC=C(F)C=C1,"InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1",OIWWNWQZJJKBTR-CYBMUJFWSA-N
DB08673,,"4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE",experimental,,,,,,U32,,ZINC000016051832,,,,,5327097,CC(C)C1=CN=C(NC2=CC=C(C=C2)S(N)(=O)=O)S1,"InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)",LPQUJAANWFHCJV-UHFFFAOYSA-N
DB08674,,"(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE",experimental,,,,,,U49,,ZINC000003870365,CHEMBL496879,14010,,,23646577,[H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1,"InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m1/s1",USPFJPDEADLGIG-HSZRJFAPSA-N
DB08675,,"(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid",experimental,,,,,,U51,,ZINC000049872120,,,,,94286438,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(N=N2)[C@]1([H])C(\[H])=C(/[H])CCCCCC,"InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1",SRIZDZJPKIYUPZ-IDUFWMFESA-N
DB08676,,"(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE",experimental,,,,,,U66,,,,,,,131704313,[H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3,"InChI=1S/C27H27N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-4,6-7,13,15,17,20,24,26,30H,5,8-12,16H2/t20-,24+,26?/m1/s1",GBEQWWUQNVMGMR-LLHWJCAFSA-N
DB08677,,N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide,experimental,,,,,,U73,,,,,,,5327096,[H]N(C(=O)CC1=CN=CC=C1)C1=NC=C(S1)C(C)C,"InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17)",WQZOOPQQADNJEG-UHFFFAOYSA-N
DB08678,,(4-ETHYLPHENYL)SULFAMIC ACID,experimental,,,,,,UA5,,ZINC000016052169,,,,,9547998,CCC1=CC=C(NS(O)(=O)=O)C=C1,"InChI=1S/C8H11NO3S/c1-2-7-3-5-8(6-4-7)9-13(10,11)12/h3-6,9H,2H2,1H3,(H,10,11,12)",HXARYYGNSVTEFC-UHFFFAOYSA-N
DB08680,172998-57-1,N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbimidothioic acid,experimental,,,,,,UC2,,ZINC000006483660,CHEMBL99965,,,,9554696,CC1=C(C=CO1)C(=S)NC1=CC(\C=N\OC(C)(C)C)=C(Cl)C=C1,"InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+",PLGIIOKXCKDKEU-VXLYETTFSA-N
DB08681,,1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE,experimental,,,,,,UC3,,ZINC000003870524,CHEMBL440510,,,,3000477,CC(C)OC(=S)NC1=CC(C(=O)OC(C)C)=C(Cl)C=C1,"InChI=1S/C14H18ClNO3S/c1-8(2)18-13(17)11-7-10(5-6-12(11)15)16-14(20)19-9(3)4/h5-9H,1-4H3,(H,16,20)",AXTNFJKQZPETJA-UHFFFAOYSA-N
DB08682,,"1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE",experimental,,,,,,UC4,,ZINC000001492540,CHEMBL190729,,,,1385,CC(C)OC(=O)C1=C(Cl)C=CC(NC(=O)C2=C(C)OCCS2)=C1,"InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)",FMQGUMRNTBJHEA-UHFFFAOYSA-N
DB08683,,"REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE",experimental,,,,,,UCM,,ZINC000018183490,CHEMBL289422,,,,447446,[H][C@]12CC[C@]([H])(O1)N1C3=C(C=CC=C3)C3=C4C(=O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13,"InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)/t15-,16+",OTPNDVKVEAIXTI-IYBDPMFKSA-N
DB08684,,O-Decyl Hydrogen Thiocarbonate,experimental,,,,,,UDT,,ZINC000053683305,,,,,14812933,CCCCCCCCCCOC(S)=O,"InChI=1S/C11H22O2S/c1-2-3-4-5-6-7-8-9-10-13-11(12)14/h2-10H2,1H3,(H,12,14)",RFWUWWWJCLPVPT-UHFFFAOYSA-N
DB08685,,"1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine",experimental,,,,,,UFO,,ZINC000004200686,,,,,7127816,CN1CCN(C)C2=CC(CN)=CC=C12,"InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3",TWGYATHIWDUKGY-UHFFFAOYSA-N
DB08686,,"5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE",experimental,,,,,,UIN,,ZINC000013741431,,,,,54685311,[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(CCCCCC2)OC1=O,"InChI=1S/C20H24O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15,21H,2-4,8-9,12-13H2,1H3/t15-/m0/s1",UXCLJNSXDNCIIT-HNNXBMFYSA-N
DB08687,223387-75-5,FG-2216,investigational,21115615,,,,,UN9,,ZINC000000007670,CHEMBL426560,50193145,,,6914666,OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1,"InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)",OUQVKRKGTAUJQA-UHFFFAOYSA-N
DB08688,112-12-9,2-Undecanone,experimental,,,,,,UOC,,ZINC000001529305,CHEMBL1236582,,,17700,8163,CCCCCCCCCC(C)=O,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",KYWIYKKSMDLRDC-UHFFFAOYSA-N
DB08689,727-81-1,Ubiquinone Q1,experimental,,,,,,UQ1,,ZINC000001559692,CHEMBL1236594,,,46234,4462,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",SOECUQMRSRVZQQ-UHFFFAOYSA-N
DB08690,606-06-4,Ubiquinone Q2,experimental,,,,1423925,,UQ2,,ZINC000001532641,CHEMBL1236595,,,46372,5280346,COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O,"InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+",SQQWBSBBCSFQGC-JLHYYAGUSA-N
DB08691,,"ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate",experimental,,,,,,V25,,ZINC000033295985,CHEMBL1236620,,,,44237094,CCOC(=O)C1=C(\C(=C/N)C#N)C2=C(N1C)C(Cl)=C(Cl)C=C2,"InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-",CXJCGSPAPOTTSF-VURMDHGXSA-N
DB08692,,D-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid,experimental,,,,,,V35,,ZINC000169748514,,,,,46937174,[H]N(C(C)=O)[C@]([H])(CC1=CC=C(Cl)C=C1)[B-](O)(O)O,"InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1",FPCXTDQHLFRWCJ-SNVBAGLBSA-N
DB08693,,L-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid,experimental,,,,,,V36,,ZINC000169748515,,,,,449042,[H]N([C@@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)O)C(C)=O,"InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1",FPCXTDQHLFRWCJ-JTQLQIEISA-N
DB08694,,Variolin B,experimental,,,,,,VAR,,ZINC000020149024,CHEMBL380500,50398327,,,9817550,NC1=NC=CC(=N1)C1=C2C=CN=C(N)N2C2=NC=CC(O)=C12,"InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)",RTHKPHCVZVYDFN-UHFFFAOYSA-N
DB08695,,3-(4-nitrophenyl)-1H-pyrazole,experimental,,,,,,VC3,,ZINC000003884177,CHEMBL264950,,,,2737071,[O-][N+](=O)C1=CC=C(C=C1)C1=NNC=C1,"InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-6-10-11-9/h1-6H,(H,10,11)",IPIYADCDDIUVPS-UHFFFAOYSA-N
DB08697,,"4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide",experimental,,,,,,VG2,,ZINC000016052612,CHEMBL253608,50231526,,,23653532,CC1=CC(=CC(C)=C1OCCN)C(=O)NC1=CC(Cl)=CC(=C1)N1CCCCC1,"InChI=1S/C22H28ClN3O2/c1-15-10-17(11-16(2)21(15)28-9-6-24)22(27)25-19-12-18(23)13-20(14-19)26-7-4-3-5-8-26/h10-14H,3-9,24H2,1-2H3,(H,25,27)",JDYIYIRPQKMWMM-UHFFFAOYSA-N
DB08698,,"1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL",experimental,,,,,,VGA,,ZINC000053194178,,,,,25113120,[H][C@@]1(N=C(C2=CC=CC=C2)C2=CC=CC=C2N=C1N1CC(O)C1)C1=CC=CS1,"InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2/t21-/m1/s1",BKSGACYTXOQQNI-OAQYLSRUSA-N
DB08699,,"1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",experimental,,,,,,VGG,,ZINC000022048123,CHEMBL1236661,,,,24865390,CC1=CC(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=CC=C1,"InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)",FYCOTGCSHZKHPR-UHFFFAOYSA-N
DB08701,,"2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE",experimental,,,,,,VGI,,ZINC000003087488,CHEMBL559638,35553,,,4177750,OCCNC1=CC=C2C(=O)N(C(=O)C3=CC=CC1=C23)C1=CC(Br)=CC=C1,"InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2",JZCUVYNOSDWORZ-UHFFFAOYSA-N
DB08702,,"2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID",experimental,,,,,,VII,,ZINC000000345566,,,,,220535,OC(=O)C1=C(OC(=C1C(O)=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22)",QPKYPOMZPFDBEZ-UHFFFAOYSA-N
DB08703,,"12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one",experimental,,,,,,VIN,,ZINC000039143289,,,,,25203955,CC(C)OC1=CC=C2C(CCC3=C2C2=C(C=NC2=O)C2=C3N(CCO)C3=CC=CC=C23)=C1,"InChI=1S/C27H24N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13-15,30H,7,9,11-12H2,1-2H3",FGKKIHITEICGMN-UHFFFAOYSA-N
DB08704,,"[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate",experimental,,,,,,VPU,,ZINC000035859848,CHEMBL256732,,,,11582002,[H][C@]1(CO)O\C(=N/OC(=O)NC2=CC=CC=C2)[C@]([H])(NC(=O)CCCC)[C@@]([H])(O)[C@]1([H])O,"InChI=1S/C18H25N3O7/c1-2-3-9-13(23)20-14-16(25)15(24)12(10-22)27-17(14)21-28-18(26)19-11-7-5-4-6-8-11/h4-8,12,14-16,22,24-25H,2-3,9-10H2,1H3,(H,19,26)(H,20,23)/b21-17-/t12-,14-,15-,16-/m1/s1",NUNQIQQEEPOGDJ-JDOAOKHLSA-N
DB08705,,"6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE",experimental,,,,,,VRV,,ZINC000001017885,CHEMBL391586,26673,,86453,1235170,OC1=C(C=C(Br)C=C1)C1=CC(C2=CC=CC=C2)=C(C#N)C(=O)N1,"InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)",SVSYJTYGPLVUOZ-UHFFFAOYSA-N
DB08706,,"(2S)-({(5Z)-5-[(5-Ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid",experimental,,,,,,VRX,,ZINC000034947225,CHEMBL221245,,,,135401990,CCC1=CC=C(O1)\C=C1/SC(N[C@H](C(O)=O)C2=CC=C(F)C=C2)=NC1=O,"InChI=1S/C18H15FN2O4S/c1-2-12-7-8-13(25-12)9-14-16(22)21-18(26-14)20-15(17(23)24)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,23,24)(H,20,21,22)/b14-9-/t15-/m0/s1",RNEACARJKXYVND-MZLJFPOFSA-N
DB08707,,"4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine",experimental,,,,,,VX1,,ZINC000002567089,CHEMBL409038,26669,,,2765355,NC1=NC=CC(=N1)C1=CC2=C(ON=C2C=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C17H11ClN4O/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-15(13)22-23-16)14-7-8-20-17(19)21-14/h1-9H,(H2,19,20,21)",AQVFETGXIRKVAQ-UHFFFAOYSA-N
DB08708,,"N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine",experimental,,,,,,VX2,,ZINC000016052733,CHEMBL494360,26668,,,10361208,FC(F)(F)C1=CC=CC(=C1)C1=NN=C2C=CC(NC3CCCCC3)=NN12,"InChI=1S/C18H18F3N5/c19-18(20,21)13-6-4-5-12(11-13)17-24-23-16-10-9-15(25-26(16)17)22-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2,(H,22,25)",XYYDXQCAYXOGQT-UHFFFAOYSA-N
DB08709,,"2,3-diphenyl-1H-indole-7-carboxylic acid",experimental,,,,,,VX3,,ZINC000001506669,CHEMBL406652,26670,,,5003498,OC(=O)C1=CC=CC2=C1NC(=C2C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)",OLUDUXWVPIEHDA-UHFFFAOYSA-N
DB08710,,"(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-2-[[(S)-(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]amino]-1,3-thiazol-4-one",experimental,,,,,,VXR,,ZINC000028816704,CHEMBL234569,,,,135617452,CCC1=CC=C(O1)\C=C1/SC(N[C@H](C2=NN=NN2)C2=CC=C(F)C=C2)=NC1=O,"InChI=1S/C18H15FN6O2S/c1-2-12-7-8-13(27-12)9-14-17(26)21-18(28-14)20-15(16-22-24-25-23-16)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,20,21,26)(H,22,23,24,25)/b14-9-/t15-/m0/s1",BKZOQCGDCHOGOQ-MZLJFPOFSA-N
DB08711,3943-74-6,Methyl vanillate,experimental,,,,,,VXX,,ZINC000000388238,CHEMBL486214,,,46477,19844,COC(=O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3",BVWTXUYLKBHMOX-UHFFFAOYSA-N
DB08712,,11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID,experimental,,,,,,VZZ,,ZINC000053683316,,,,,24778468,OC(=O)CCCCCCCCCCOC(S)=O,"InChI=1S/C12H22O4S/c13-11(14)9-7-5-3-1-2-4-6-8-10-16-12(15)17/h1-10H2,(H,13,14)(H,15,17)",XSZQJZYGKSSUAF-UHFFFAOYSA-N
DB08713,,"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL",experimental,,,,,,W01,,ZINC000003590249,CHEMBL82304,,,,1498,CN1N=NC(=N1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1,"InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3",RVZKQTQAFHEOKT-UHFFFAOYSA-N
DB08714,,"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL",experimental,,,,,,W02,,ZINC000006521985,,,,,448137,CC1=NOC(CCCOC2=C(C)C=C(C=C2C)N2N=NC(C)=N2)=C1,"InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3",DRCNRTRGWUYJBH-UHFFFAOYSA-N
DB08715,,"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL",experimental,,,,,,W03,,ZINC000006521984,,,,,448138,CC1=NC(=CO1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1,"InChI=1S/C19H22N2O3/c1-12-8-16(18-11-23-15(4)20-18)9-13(2)19(12)22-7-5-6-17-10-14(3)21-24-17/h8-11H,5-7H2,1-4H3",SLPKYEWAKMNCPT-UHFFFAOYSA-N
DB08717,,"[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid",experimental,,,,,,W22,,ZINC000038272443,,,,,11117974,[H][C@@]1(CC(O)=O)NC2=CC=CC=C2CN(C)C1=O,"InChI=1S/C12H14N2O3/c1-14-7-8-4-2-3-5-9(8)13-10(12(14)17)6-11(15)16/h2-5,10,13H,6-7H2,1H3,(H,15,16)/t10-/m0/s1",CLWDLBDPVUWYEW-JTQLQIEISA-N
DB08718,,"4-(3-ethylthiophen-2-yl)benzene-1,2-diol",experimental,,,,,,W29,,ZINC000039109390,CHEMBL445245,,,,24875311,CCC1=C(SC=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C12H12O2S/c1-2-8-5-6-15-12(8)9-3-4-10(13)11(14)7-9/h3-7,13-14H,2H2,1H3",VXLXQOMDQVQQLA-UHFFFAOYSA-N
DB08719,,"5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE",experimental,,,,,,W33,,,CHEMBL6444,,,47727,1788,CC1=NOC(CCCCCOC2=CC=C(C=C2Cl)C2=NCCO2)=C1,"InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3",FCSKOFQQCWLGMV-UHFFFAOYSA-N
DB08720,,"5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole",experimental,,,,,,W35,,,CHEMBL266800,,,10028,1786,CC1=NOC(CCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1,"InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3",IWZDYGHUSXWPPM-UHFFFAOYSA-N
DB08721,,"5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole",experimental,,,,,,W42,,ZINC000004097170,CHEMBL6448,,,190277,441047,OCCOCOCC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1,"InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2",JLSNWEWWUSOSMP-UHFFFAOYSA-N
DB08722,,5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole,experimental,,,,,,W43,,ZINC000001530453,CHEMBL167874,,,,5289564,[H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C(Cl)=C1,"InChI=1S/C21H27ClN2O3/c1-15-12-18(27-24-15)8-6-4-3-5-7-11-25-20-10-9-17(13-19(20)22)21-23-16(2)14-26-21/h9-10,12-13,16H,3-8,11,14H2,1-2H3/t16-/m0/s1",WOJFAPUTPSWFLJ-INIZCTEOSA-N
DB08723,107355-45-3,WIN-54954,experimental,,,,,,W54,,,CHEMBL6594,,,10029,441048,CC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1,"InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3",JJDHAOLOHQTGMG-UHFFFAOYSA-N
DB08724,,5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole,experimental,,,,,,W56,,ZINC000001530456,CHEMBL165024,,,,5289566,[H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCC2=CC(C)=NO2)C=C1,"InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1",UXIYKMARWUSIKU-HNNXBMFYSA-N
DB08725,112270-39-0,"(S)-5-(7-(4-(4-Ethyl-4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole",experimental,,,,,,W59,,,CHEMBL24787,,,,3082640,CC[C@H]1COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1,"InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1",PZDSRPCFNWOUFP-IBGZPJMESA-N
DB08726,,"5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole",experimental,,,,,,W71,,ZINC000001530460,CHEMBL283639,,,3846,55717,CC1=NOC(CCCCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1,"InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3",FKLJPTJMIBLJAV-UHFFFAOYSA-N
DB08727,98524-87-9,"3-Methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole",experimental,,,,,,W8R,,,CHEMBL55483,,,,5272139,C[C@@H]1COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1,"InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1",NEAZMARKCJKUMF-QGZVFWFLSA-N
DB08728,,"5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole",experimental,,,,,,W91,,,CHEMBL143305,,,,129539,CC1=NOC(CCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1,"InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3",TUGBWRGTMLOFAX-UHFFFAOYSA-N
DB08729,,"5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide",experimental,,,,,,WAN,,,CHEMBL1236703,50532271,,,135566412,CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)SC(=C1)S(N)(=O)=O,"InChI=1S/C15H19N5O4S2/c1-4-6-9-11-12(20(3)19-9)14(21)18-13(17-11)8-7-10(26(16,22)23)25-15(8)24-5-2/h7H,4-6H2,1-3H3,(H2,16,22,23)(H,17,18,21)",FENWRHVHBZQJGW-UHFFFAOYSA-N
DB08730,,3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE,experimental,,,,,,WBT,,ZINC000013607796,CHEMBL193264,13353,,46552,5326869,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2C=CN(CCC3=CC=NC=C3)C2=C1)N1CCOCC1,"InChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)",CPFBZMFUCGHBAP-UHFFFAOYSA-N
DB08731,,"2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid",experimental,,,,,,WH6,,ZINC000016052515,,,,,24764434,[H][C@](CC(O)=O)(CC1=CC=CC2=CC=CC=C12)N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O,"InChI=1S/C23H17NO6/c25-20(26)12-16(10-14-6-3-5-13-4-1-2-7-17(13)14)24-21(27)18-9-8-15(23(29)30)11-19(18)22(24)28/h1-9,11,16H,10,12H2,(H,25,26)(H,29,30)/t16-/m1/s1",GPOKTQCDBPECSS-MRXNPFEDSA-N
DB08732,,NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE,experimental,,,,,,WR1,,ZINC000016052314,,512705,,,16220131,[H][C@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CCO,"InChI=1S/C22H26N2O5/c1-16(20(26)12-13-25)23-21(27)19(14-17-8-4-2-5-9-17)24-22(28)29-15-18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3,(H,23,27)(H,24,28)/t16-,19+/m1/s1",UUOOAGBWJUGBMV-APWZRJJASA-N
DB08733,,"(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE",experimental,,,,,,WR2,,ZINC000053683325,,,,,42609673,[H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C,"InChI=1S/C20H33N5O5S/c1-11(2)9-12(15(26)24-14(17(28)21-6)20(3,4)5)13(16(27)25-30)10-23-18(29)19-22-7-8-31-19/h7-8,11-14,30H,9-10H2,1-6H3,(H,21,28)(H,23,29)(H,24,26)(H,25,27)/t12-,13+,14-/m1/s1",GAHIXYNNFMCKFQ-HZSPNIEDSA-N
DB08734,,"6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE",experimental,,,,,,WRA,,ZINC000003581056,CHEMBL129788,18793,,,121750,CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC(Cl)=C(Cl)C=C1Cl,"InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)",MJZJYWCQPMNPRM-UHFFFAOYSA-N
DB08735,37571-78-1,"R,S-Warfarin alcohol",experimental,,,,,,,,ZINC000100037009,,50408931,,,54736486,[H][C@@](C)(O)C[C@]([H])(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O,"InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m0/s1",ZUJMMGHIYSAEOU-SWLSCSKDSA-N
DB08736,40281-79-6,"S,R-Warfarin alcohol",experimental,,,,,,,,ZINC000003875291,,50408930,,,54723704,[H][C@](C)(O)C[C@@]([H])(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O,"InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m1/s1",ZUJMMGHIYSAEOU-DOMZBBRYSA-N
DB08737,,"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL",experimental,,,,,,WST,,ZINC000014972418,,19977,,,16750074,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=CC=CC(O)=C21)C1=CC=C(O)C=C1,"InChI=1S/C18H18O3/c19-12-9-7-11(8-10-12)18-14-4-1-3-13(14)17-15(20)5-2-6-16(17)21-18/h2,5-10,13-14,18-20H,1,3-4H2/t13-,14+,18+/m1/s1",FSYFYSFYUHBIHE-GLJUWKHASA-N
DB08738,,1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one,experimental,,,,,,X98,,ZINC000040863006,CHEMBL459149,50274985,,,25155578,[H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1,"InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1",KWCKZIJGKMCYCI-QFIPXVFZSA-N
DB08739,,"2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione",experimental,,,,,,X99,,ZINC000039197308,CHEMBL458975,50274983,,,25102845,[H][C@]1(CC(F)(F)CN1C(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O)C(=O)N1CCCC1,"InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1",ZSXNPAWXICXNGZ-HNNXBMFYSA-N
DB08740,,"CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE",experimental,,,,,,XAO,,ZINC000013532084,CHEMBL35107,,,,5288373,[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)[C@@]([H])(O)CC(C)C,"InChI=1S/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1",KGYZGGUJJIVOQX-MELADBBJSA-N
DB08741,,"5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine",experimental,,,,,,XCF,,ZINC000003612862,CHEMBL1236788,50336513,,131752,10247560,[H][C@@]1(OC2=C(OC)C(OC)=CC(CC3=C(N)N=C(N)N=C3)=C2C=C1)C1CC1,"InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1",HWJPWWYTGBZDEG-AWEZNQCLSA-N
DB08742,,"1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)",experimental,,,,,,XE4,,ZINC000058660808,,,,,11269429,C=C1\C(=C/C=C2\CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])C#CC#CC(C)(O)C)C[C@](O)([H])C[C@@]1(O)[H],"InChI=1S/C26H34O3/c1-18-20(16-22(27)17-24(18)28)11-10-19-8-7-15-26(4)21(12-13-23(19)26)9-5-6-14-25(2,3)29/h10-11,21-24,27-29H,1,7-8,12-13,15-17H2,2-4H3/b19-10+,20-11-/t21-,22+,23-,24-,26+/m0/s1",CEEUUHVULXTFGS-BQXVGYHGSA-N
DB08743,,"2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE",experimental,,,,,,XIH,,ZINC000003839213,,,,,6914643,[H][C@@]1(N)CCCN(C1)C1=NC2=C(N1CC1=CC=CC=C1C#N)C(=O)N(C)C(=O)N2C,"InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3/t15-/m1/s1",XJNKUWDMCBZMTG-OAHLLOKOSA-N
DB08744,477-89-4,Casimiroin,experimental,,,,,,XM5,,ZINC000000900156,CHEMBL492762,29210,,3452,124075,COC1=CC(=O)N(C)C2=C3OCOC3=CC=C12,"InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3",DPXXJCMMMXZVSW-UHFFFAOYSA-N
DB08745,,4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE,experimental,,,,,,XMJ,,ZINC000003581119,,,,,446345,ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)C(=O)C2)C=C1,"InChI=1S/C23H27ClN4O3S/c24-21-3-1-19(2-4-21)9-16-32(30,31)28-15-14-27(23(29)18-28)17-20-7-12-26(13-8-20)22-5-10-25-11-6-22/h1-6,9-11,16,20H,7-8,12-15,17-18H2/b16-9+",QLHUDNKWOSQSMK-CXUHLZMHSA-N
DB08746,,1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE,experimental,,,,,,XMK,,ZINC000058660877,,,,,446346,ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)CC2)C=C1,"InChI=1S/C23H29ClN4O2S/c24-22-3-1-20(2-4-22)9-18-31(29,30)28-16-14-26(15-17-28)19-21-7-12-27(13-8-21)23-5-10-25-11-6-23/h1-6,9-11,18,21H,7-8,12-17,19H2/b18-9+",ZOSSOFIFNGGDKG-GIJQJNRQSA-N
DB08747,,"(11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one",experimental,,,,,,XND,,ZINC000040395712,CHEMBL466269,,,,44574544,[H][C@]1(N(C(C)=O)C2=CC=CC(O)=C2NC2=C1C(=O)CC(C)(C)C2)C1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C23H22Cl2N2O3/c1-12(28)27-17-5-4-6-18(29)21(17)26-16-10-23(2,3)11-19(30)20(16)22(27)14-8-7-13(24)9-15(14)25/h4-9,22,26,29H,10-11H2,1-3H3/t22-/m0/s1",JJTPPGUNMJMPLY-QFIPXVFZSA-N
DB08748,619-84-1,4-(Dimethylamino)benzoic acid,experimental,,,,,,XP1,,ZINC000000388582,CHEMBL112322,512661,,,12092,CN(C)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)",YDIYEOMDOWUDTJ-UHFFFAOYSA-N
DB08749,,3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE,experimental,,,,,,XX4,,ZINC000010339589,CHEMBL244342,17783,,,16741238,CN(C1CCCCC1)C(=O)CCN1CC2=CC(=CC=C2N=C1N)C(=O)C1=CC=CC=C1,"InChI=1S/C25H30N4O2/c1-28(21-10-6-3-7-11-21)23(30)14-15-29-17-20-16-19(12-13-22(20)27-25(29)26)24(31)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,21H,3,6-7,10-11,14-15,17H2,1H3,(H2,26,27)",KTRFBFMYAJOXLG-UHFFFAOYSA-N
DB08750,,"1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE",experimental,,,,,,XXZ,,ZINC000039187977,CHEMBL1221657,36397,,,24894149,NCC1=CC=C(C=C1)C(=O)N1CCC2(CC1)NC1=CC=CC(F)=C1C(N)=N2,"InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25)",SFPCNWQWKOUNRT-UHFFFAOYSA-N
DB08751,,"N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE",experimental,,,,,,XY2,,ZINC000016051901,,,,,6857727,CN(CCN(C)C1=CC=C(C2=NON=C12)[N+]([O-])=O)C(C)=O,"InChI=1S/C12H15N5O4/c1-8(18)15(2)6-7-16(3)9-4-5-10(17(19)20)12-11(9)13-21-14-12/h4-5H,6-7H2,1-3H3",YSVJZZZGPPWEIC-UHFFFAOYSA-N
DB08752,,N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide,experimental,,,,,,Y11,,ZINC000013918552,CHEMBL1236882,50401770,,,9887557,[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)NC1(CCN(C)CC1)C#N,"InChI=1S/C21H35N5O3/c1-25-9-7-21(16-22,8-10-25)24-19(27)18(15-17-5-3-2-4-6-17)23-20(28)26-11-13-29-14-12-26/h17-18H,2-15H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1",IRSOCWQJNYLTDD-SFHVURJKSA-N
DB08753,,"4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE",experimental,,,,,,Y12,,ZINC000016051983,,,,,11957394,CC(=O)OC1=CC=C(\C=C\C(=O)NCCC2=CC=CC=C2)C=C1OC(C)=O,"InChI=1S/C21H21NO5/c1-15(23)26-19-10-8-18(14-20(19)27-16(2)24)9-11-21(25)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)/b11-9+",GARHCDOTUULBOQ-PKNBQFBNSA-N
DB08754,103188-48-3,N-Caffeoyltyramine,experimental,,,,,,Y13,,ZINC000013515185,CHEMBL206646,,,193479,9994897,OC1=CC=C(CCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1,"InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+",VSHUQLRHTJOKTA-XBXARRHUSA-N
DB08755,,N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide,experimental,,,,,,Y15,,ZINC000038970701,,,,,46937176,[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)N[C@@](C)(COCC1=CC=CC=C1)C#N,"InChI=1S/C25H36N4O4/c1-25(18-26,19-33-17-21-10-6-3-7-11-21)28-23(30)22(16-20-8-4-2-5-9-20)27-24(31)29-12-14-32-15-13-29/h3,6-7,10-11,20,22H,2,4-5,8-9,12-17,19H2,1H3,(H,27,31)(H,28,30)/t22-,25+/m0/s1",MQWUTQCRGGBPBT-WIOPSUGQSA-N
DB08756,146986-50-7,Y-27632,experimental,,,,,,Y27,,,CHEMBL559147,14029,,75393,,[H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N,"InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1",IYOZTVGMEWJPKR-IJLUTSLNSA-N
DB08757,,5-(2-chlorophenyl)furan-2-carbohydrazide,experimental,,,,,,YE6,,ZINC000004387691,CHEMBL200849,50175425,,,4697633,NNC(=O)C1=CC=C(O1)C1=CC=CC=C1Cl,"InChI=1S/C11H9ClN2O2/c12-8-4-2-1-3-7(8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)",XQMRHWSGTVEDFG-UHFFFAOYSA-N
DB08758,,"IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE",experimental,,,,,,YE7,,ZINC000000434357,CHEMBL238659,50225275,,,869249,NNC(=O)C1=CN2C=CC3=C(C=CC=C3)C2=N1,"InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)",WSNWYZBDIKCPIG-UHFFFAOYSA-N
DB08759,,"[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID",experimental,,,,,,YML,,ZINC000053683337,,,,,46937177,[H][C@](C)(CO)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C[P@@]([H])(O)=O,"InChI=1S/C11H23O5P/c1-7(5-12)4-8(2)11(14)9(3)10(13)6-17(15)16/h7-9,11-12,14,17H,4-6H2,1-3H3,(H,15,16)/t7-,8+,9+,11+/m1/s1",OMENZZONRIXNPG-HJGDQZAQSA-N
DB08760,,(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid,experimental,,,,,,YRG,,ZINC000013671687,CHEMBL364748,50171897,,,11460087,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(Cl)C=C1)C(O)=O,"InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1",CPBLTMSKPQDJPW-AWEZNQCLSA-N
DB08761,,"(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione",experimental,,,,,,YTT,,,CHEMBL189558,50505734,,65063,11267350,[H][C@@]1(CC2=CC=C(O)C=C2)NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC1=O,"InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1",NGPCLOGFGKJCBP-HOTGVXAUSA-N
DB08762,,O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID,experimental,,,,,,ZAF,,ZINC000039313129,,,,,5492457,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@]([H])(C)[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O,"InChI=1S/C22H27N2O8P/c1-15(23-22(28)31-14-18-11-7-4-8-12-18)20(25)24-16(2)33(29,30)32-19(21(26)27)13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t15-,16+,19-/m0/s1",UPJNMOBJDSFRTI-FCEWJHQRSA-N
DB08763,,[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE,experimental,,,,,,ZAP,,ZINC000031260847,,,,,447110,[H][C@](NC(=O)OCC1=CC=CC=C1)(C1=CC=C(C=C1)C(N)=N)P(O)(O)=O,"InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1",FSNDLCSOLUMYRH-OAHLLOKOSA-N
DB08765,,"6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE",experimental,,,,,,ZEC,,,CHEMBL6685,10874,,,6852129,NS(=O)(=O)C1=NC2=C(S1)C=C(O)C=C2,"InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)",NOOBQTYVTDBXTL-UHFFFAOYSA-N
DB08766,75176-37-3,Zofenoprilat,experimental,,,,,,ZED,,ZINC000003780852,CHEMBL16332,50018850,,82602,3034048,C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1,"InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1",UQWLOWFDKAFKAP-WXHSDQCUSA-N
DB08767,,2-(4-METHOXYPHENYL)ACETAMIDE,experimental,,,,,,ZHZ,,ZINC000000156551,CHEMBL157604,50226183,,,241868,COC1=CC=C(CC(N)=O)C=C1,"InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)",OLKQIWCQICCYQS-UHFFFAOYSA-N
DB08768,2365-40-4,N(6)-dimethylallyladenine,experimental,,,,,,ZIP,,ZINC000000032351,CHEMBL476189,,,17660,92180,CC(C)=CCNC1=NC=NC2=C1N=CN2,"InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)",HYVABZIGRDEKCD-UHFFFAOYSA-N
DB08770,,"4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol",experimental,,,,,,ZMA,,ZINC000000005258,CHEMBL113142,21190,,92361,176407,NC1=NC(NCCC2=CC=C(O)C=C2)=NC2=NC(=NN12)C1=CC=CO1,"InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)",PWTBZOIUWZOPFT-UHFFFAOYSA-N
DB08771,,"(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one",experimental,,,,,,ZMG,,ZINC000016052518,CHEMBL392452,,,,135566336,CC(C)[C@H]1SC(NC2=C(F)C=CC=C2)=NC1=O,"InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1",OJJBBNIYQKFZDK-SNVBAGLBSA-N
DB08772,110703-94-1,Zopolrestat,experimental,,,,,,ZST,,ZINC000000538557,CHEMBL10372,16452,ALOND,,1613,OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1C=CC=C2,"InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)",BCSVCWVQNOXFGL-UHFFFAOYSA-N
DB08773,63676-22-2,2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol,experimental,,,,,,ZTW,,ZINC000003581478,CHEMBL431698,20628,,,445920,OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2,"InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H",MDGWZLQPNOETLH-UHFFFAOYSA-N
DB08774,,"1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine",experimental,,,,,,ZY6,,ZINC000039001862,CHEMBL562314,33217,,,44129608,[H][C@]1(CN)CN(CCO1)C1=C(C=NC2=C1C=NN2)C1=CC=CC=C1,"InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1",YBRZCAKSBYWZTC-ZDUSSCGKSA-N
DB08775,,Benzoyl-tyrosine-alanine-fluoro-methyl ketone,experimental,,,,,,ZYA,,ZINC000026272137,CHEMBL68828,,,,15118984,C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CF,"InChI=1S/C21H23FN2O5/c1-14(19(26)12-22)23-20(27)18(11-15-7-9-17(25)10-8-15)24-21(28)29-13-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,23,27)(H,24,28)/t14-,18-/m0/s1",RYABQRLJLIHDIP-KSSFIOAISA-N
DB08776,,"N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE",experimental,,,,,,ZYQ,,ZINC000008994842,CHEMBL562743,33206,,,739358,CC(=O)NC1=NC2=C(S1)C(=O)NCCC2,"InChI=1S/C9H11N3O2S/c1-5(13)11-9-12-6-3-2-4-10-8(14)7(6)15-9/h2-4H2,1H3,(H,10,14)(H,11,12,13)",OYHOEDBNAJPFKK-UHFFFAOYSA-N
DB08777,,"5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE",experimental,,,,,,ZYR,,ZINC000017920988,CHEMBL539906,33207,,,98614,O=C1NC=NC2=C1C1=C(CCCC1)S2,"InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)",NMMOEJUJKIXUQZ-UHFFFAOYSA-N
DB08778,,"[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone",experimental,,,,,,ZYS,,ZINC000001398629,CHEMBL570537,33208,,,1484819,CC(C)(C)NC1=NC(N)=C(S1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)",KEHNGAHNKVLUSC-UHFFFAOYSA-N
DB08779,,2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol,experimental,,,,,,ZYT,,ZINC000100037029,,,,,46937179,CSC1=NC(O)=C(CC2=CC=CS2)N1,"InChI=1S/C9H10N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-4,12H,5H2,1H3,(H,10,11)",QWYGHJVEZLVLSU-UHFFFAOYSA-N
DB08780,,6-MORPHOLIN-4-YL-9H-PURINE,experimental,,,,,,ZYU,,ZINC000018107770,CHEMBL271138,33210,,,76098,C1CN(CCO1)C1=C2N=CNC2=NC=N1,"InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)",MEOMXKNIFWDDGZ-UHFFFAOYSA-N
DB08781,,"1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE",experimental,,,,,,ZYW,,ZINC000039001861,,,,,44141939,[H][C@]1(CN)CN(CCO1)C1=C(Br)C=NC2=C1C=NN2,"InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)/t7-/m0/s1",BJUBFXSKTBULRW-ZETCQYMHSA-N
DB08782,,4-(2-AMINOETHYL)BENZENESULFONAMIDE,experimental,,,,,,ZYX,,ZINC000000056629,CHEMBL7087,10861,,,169682,NCCC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)",FXNSVEQMUYPYJS-UHFFFAOYSA-N
DB08783,,(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid,experimental,,,,,,ZYZ,,,,,,,25111933,[H][C@@](CC1=CC=C(C[Se](O)=O)C=C1)(NC(=O)OC(C)(C)C)C(=O)OC,"InChI=1S/C16H23NO6Se/c1-16(2,3)23-15(19)17-13(14(18)22-4)9-11-5-7-12(8-6-11)10-24(20)21/h5-8,13H,9-10H2,1-4H3,(H,17,19)(H,20,21)/t13-/m0/s1",CEUSGDKNGCAEAX-ZDUSSCGKSA-N
DB08784,,2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID,experimental,,,,,,ZZ0,,ZINC000001329537,CHEMBL1237007,50201619,,,1432578,OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1,"InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)",YEXIXVLEDGNAKM-UHFFFAOYSA-N
DB08785,607-71-6,4-Methylcoumarin,experimental,,,,,,ZZ1,,ZINC000000300858,CHEMBL12279,,,,11833,CC1=CC(=O)OC2=CC=CC=C12,"InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3",PSGQCCSGKGJLRL-UHFFFAOYSA-N
DB08786,,4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine,experimental,,,,,,ZZ2,,,CHEMBL538937,33223,,,3777900,COCCOC1=NC(N)=NC(C)=C1,"InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)",VCJHOFUOIQHNBC-UHFFFAOYSA-N
DB08787,,"4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine",experimental,,,,,,ZZ4,,ZINC000100037036,CHEMBL549340,33224,,,,NC1=NC(=C(C=N1)\N=N\C1=CC=CC=C1)C1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+",UNJMNJFPEVJCQK-GHVJWSGMSA-N
DB08788,,"3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE",experimental,,,,,,ZZ5,,ZINC000019940178,CHEMBL554496,33225,,,1916699,CCOC1=CC=C(C=C1)C1=C(C#N)C(N)=NC2=C1C(N)=C(S2)C(N)=O,"InChI=1S/C17H15N5O2S/c1-2-24-9-5-3-8(4-6-9)11-10(7-18)15(20)22-17-12(11)13(19)14(25-17)16(21)23/h3-6H,2,19H2,1H3,(H2,20,22)(H2,21,23)",UOPQHPBCVYHSFF-UHFFFAOYSA-N
DB08789,,"2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE",experimental,,,,,,ZZ6,,ZINC000036966108,CHEMBL563168,33233,,,44129601,CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C15H12Cl2N4OS/c1-2-19-13(22)11-6-9-12(20-15(18)21-14(9)23-11)8-4-3-7(16)5-10(8)17/h3-6H,2H2,1H3,(H,19,22)(H2,18,20,21)",YPEOXUOUTBMBCX-UHFFFAOYSA-N
DB08790,,1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,experimental,,,,,,ZZA,,ZINC000004218283,CHEMBL406105,21615,,,121026,OC(=O)C1=CN(N=C1)C1=CC=CC=C1,"InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)",ZROILLPDIUNLSE-UHFFFAOYSA-N
DB08791,,"1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE",experimental,,,,,,ZZY,,ZINC000043075275,CHEMBL561660,50295745,,,25229537,NC(=O)C1=CN=C2C=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O,"InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19)",USLOIFPDNUDIEG-UHFFFAOYSA-N
DB08792,579-38-4,Diloxanide,experimental,1520794,P01AC01,,67182,PA165958413,,,ZINC000000001299,CHEMBL2103768,,,,11367,CN(C(=O)C(Cl)Cl)C1=CC=C(O)C=C1,"InChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3",GZZZSOOGQLOEOB-UHFFFAOYSA-N
DB08794,548-00-5,Ethyl biscoumacetate,withdrawn,,B01AA08,,,,,1091,ZINC000095564733,CHEMBL2106261,35538,,135659,54685524,CCOC(=O)C(C1=C(O)C2=CC=CC=C2OC1=O)C1=C(O)C2=CC=CC=C2OC1=O,"InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3",JCLHQFUTFHUXNN-UHFFFAOYSA-N
DB08795,17243-38-8,Azidocillin,experimental,,J01CE04,,18609,PA165958414,,273,ZINC000008214496,CHEMBL2105907,,,51758,15574941,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O,"InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1",ODFHGIPNGIAMDK-NJBDSQKTSA-N
DB08796,2167-85-3,Pipazethate,experimental,,R05DB11,D05484,33740,PA165958415,,2182,ZINC000001698105,CHEMBL2104900,,,135635,22425,O=C(OCCOCCN1CCCCC1)N1C2=CC=CC=C2SC2=C1N=CC=C2,"InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2",DTVJXCOMJLLMAK-UHFFFAOYSA-N
DB08797,65-45-2,Salicylamide,approved,,"['N02BA55', 'N02BA75', 'N02BA05']",D01811,9518,,OHB,2415,ZINC000000002055,CHEMBL27577,50056900,,32114,5147,NC(=O)C1=CC=CC=C1O,"InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",SKZKKFZAGNVIMN-UHFFFAOYSA-N
DB08798,729-99-7,Sulfamoxole,experimental,13888264,"['J01EC03', 'J01EE04']",D02516,10183,PA165958417,,2520,ZINC000000057302,CHEMBL2105399,,,55548,12894,CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1,"InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",CYFLXLSBHQBMFT-UHFFFAOYSA-N
DB08799,91-75-8,Antazoline,approved,20383847,"['R06AX05', 'R01AC04']",D07458,865,PA165958418,,224,ZINC000000057204,CHEMBL1305,76862,ANTAZOLINE HYDROCHLORIDE,84115,2200,C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1,"InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)",REYFJDPCWQRWAA-UHFFFAOYSA-N
DB08800,59-32-5,Chloropyramine,experimental,,"['D04AA09', 'R06AC03', 'R06AC53']",D07195,20861,PA165958419,C4C,606,ZINC000020148995,CHEMBL1194287,,,94767,25295,CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3",ICKFFNBDFNZJSX-UHFFFAOYSA-N
DB08801,5636-83-9,Dimetindene,"['approved', 'investigational']",10069503,"['R06AB03', 'D04AA13']",D07853,3449,PA165958420,,903,,CHEMBL22108,81452,DIMETINDENE MALEATE,135222,21855,CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3",MVMQESMQSYOVGV-UHFFFAOYSA-N
DB08802,482-15-5,Isothipendyl,experimental,8546983,"['D04AA22', 'R06AD09']",D08091,28012,PA165958421,,1507,,CHEMBL2111066,,D-201,135183,3781,CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3",OQJBSDFFQWMKBQ-UHFFFAOYSA-N
DB08803,24243-97-8,Tymazoline,experimental,"['9674465', '2481638']",R01AA13,D07373,,PA165958422,,3445,ZINC000000002232,CHEMBL2106467,,,134947,34154,CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1,"InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)",QRORCRWSRPKEHR-UHFFFAOYSA-N
DB08804,360-70-3,Nandrolone decanoate,"['illicit', 'approved']","['10395533', '133117', '27141449', '24910615', '14633920', '30753550', '7879862', '3865478', '13781623', '12920167']",,D00955,31494,PA165958423,,1881,ZINC000008214619,CHEMBL1200946,,NANDROLONE DECANOATE,7467,9677,[H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1",JKWKMORAXJQQSR-MOPIKTETSA-N
DB08805,34839-70-8,Metiamide,experimental,,,D05004,,,,,ZINC000005424950,CHEMBL275446,50000382,,6896,1548992,CNC(=S)NCCSCC1=C(C)NC=N1,"InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)",FPBPLBWLMYGIQR-UHFFFAOYSA-N
DB08806,78628-28-1,Roxatidine acetate,experimental,1717223,A02BA06,D08495,114817,PA165958424,,2408,ZINC000003812908,CHEMBL46102,50404032,,94758,5105,CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1,"InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)",SMTZFNFIKUPEJC-UHFFFAOYSA-N
DB08807,62658-63-3,Bopindolol,experimental,,"['C07AA17', 'C07CA17']",D07537,19605,PA165958425,,389,,CHEMBL357995,,,143782,44112,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1,"InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3",UUOJIACWOAYWEZ-UHFFFAOYSA-N
DB08808,14556-46-8,Bupranolol,experimental,,C07AA19,D07590,1817,PA165958426,,433,,CHEMBL305380,25765,,135123,2475,CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1,"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3",HQIRNZOQPUAHHV-UHFFFAOYSA-N
DB08809,79-43-6,Dichloroacetic acid,"['approved', 'investigational']",,,,155021,PA165947835,TF4,,ZINC000003830689,CHEMBL13960,227588,DICHLOROACETIC ACID,36386,6597,OC(=O)C(Cl)Cl,"InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)",JXTHNDFMNIQAHM-UHFFFAOYSA-N
DB08810,66564-14-5,Cinitapride,investigational,9211565,A03FA08,D07700,21125,PA165958427,,652,,CHEMBL2104523,,CINITAPRIDE,135642,68867,CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O,"InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)",ZDLBNXXKDMLZMF-UHFFFAOYSA-N
DB08811,22345-47-7,Tofisopam,experimental,20967473,N05BA23,D01254,38365,PA165958428,,2693,,CHEMBL404216,,TOFISOPAM,32241,5502,CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1,"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3",RUJBDQSFYCKFAA-UHFFFAOYSA-N
DB08813,,Nadroparin,"['approved', 'investigational']","['9108990', '9158210', '12627856', '12785206', '9493587', '12536351', '8707165', '7495071', '11011806', '19726226', '10210734', '20015933']",B01AB06,,67031,,,,,,,,,,,,
DB08814,322-79-2,Triflusal,"['approved', 'investigational']","['18677970', '18053020', '12649515', '20184225', '16034926', '15079004', '26256964', '1823870', '16939630', '19465361', '15186390', '29037010', '18503633']",B01AC18,,38655,,,2744,ZINC000000002220,CHEMBL1332032,,TRIFLUSAL,94721,9458,CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O,"InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)",RMWVZGDJPAKBDE-UHFFFAOYSA-N
DB08815,367514-87-2,Lurasidone,"['approved', 'investigational']","['23545936', '22849428']",N05AE05,D04820,1040028,PA166129557,,4168,ZINC000003927822,CHEMBL1237021,85222,LURASIDONE,70735,213046,[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O,"InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1",PQXKDMSYBGKCJA-CVTJIBDQSA-N
DB08816,274693-27-5,Ticagrelor,approved,"['14755328', '30167561', '17827008', '20551239', '15078212']",B01AC24,D09017,1116632,PA165374673,TIQ,4184,ZINC000028957444,CHEMBL398435,50397205,TICAGRELOR,68558,9871419,CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1,"InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1",OEKWJQXRCDYSHL-FNOIDJSQSA-N
DB08818,9004-61-9,Hyaluronic acid,"['vet_approved', 'approved']","['30287361', '25607908', '31294035', '27627755', '28761365', '20307960', '31606736', '7340841', '25871518', '25877232', '32848737', '11749202', '27982756', '18959406', '30960626']","['S01KA51', 'M09AX01', 'S01KA01', 'D03AX05', 'R01AX09']",D08043,5463,PA165958431,,,,,,,,24759,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18?,19?,20+,21+,22+,25-,26+,27-,28-/m1/s1",KIUKXJAPPMFGSW-MNSSHETKSA-N
DB08819,209860-87-7,Tafluprost,approved,"['21916788', '19477946', '21858491', '15037111']",S01EE05,D06274,1244607,PA165958432,,4229,ZINC000013912394,CHEMBL1963683,,TAFLUPROST,66899,9868491,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1,"InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1",WSNODXPBBALQOF-VEJSHDCNSA-N
DB08820,873054-44-5,Ivacaftor,approved,"['22293084', '22942289', '28031875', '26718821', '14719996', '22047557', '21083385', '22383668', '19846789', '27714410', '27636560', '17291132']","['R07AX30', 'R07AX02', 'R07AX31']",D09916,1243041,PA165950341,VX7,4228,ZINC000052509463,CHEMBL2010601,50032693,CTP-656,66901,16220172,CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C,"InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)",PURKAOJPTOLRMP-UHFFFAOYSA-N
DB08822,863031-21-4,Azilsartan medoxomil,"['approved', 'investigational']","['22346296', '22661897', '22399858', '30860708', '31885897']","['C09CA09', 'C09DA09']",D08865,1091643,,,4322,ZINC000014210642,CHEMBL2028661,,AZILSARTAN MEDOXOMIL,68845,135409642,CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)N1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1,"InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)",QJFSABGVXDWMIW-UHFFFAOYSA-N
DB08823,168316-95-8,Spinosad,"['vet_approved', 'approved', 'investigational']","['23419061', '23547672', '23189260', '23531322', '23455995', '23456023', '11164343']",,D09384,299081,,,,,CHEMBL2040681,,,,17754356,[H][C@]1(C[C@@]2([H])C=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCC[C@]([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OC)[C@@]1([H])OC.[H][C@]1(C[C@@]2([H])C(C)=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCC[C@]([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OC)[C@@]1([H])OC,"InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+;22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m11/s1",JFLRKDZMHNBDQS-SGSTVUCESA-N
DB08824,155798-07-5,Ioflupane I-123,approved,"['10830416', '17914722']",V09AB03,D10014,1426874,,,4230,ZINC000100091991,CHEMBL3989517,,,68855,3086674,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C1=CC=C([123I])C=C1)C(=O)OC)N2CCCF,"InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1/i20-4",HXWLAJVUJSVENX-HFIFKADTSA-N
DB08826,30652-11-0,Deferiprone,approved,"['15737892', '17636775']",V03AC02,D07416,11645,PA166118041,,4188,ZINC000000006226,CHEMBL70927,50525976,DEFERIPRONE,68554,2972,CN1C=CC(=O)C(O)=C1C,"InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3",TZXKOCQBRNJULO-UHFFFAOYSA-N
DB08827,182431-12-5,Lomitapide,"['approved', 'investigational']","['23122768', '17215532']",C10AX12,D09637,1364479,PA166114922,,4721,ZINC000027990463,CHEMBL354541,50098320,AEGR-733,72297,9853053,FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12,"InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)",MBBCVAKAJPKAKM-UHFFFAOYSA-N
DB08828,879085-55-9,Vismodegib,"['approved', 'investigational']","['23662017', '19726763']",L01XX43,D09992,1242987,PA166048558,VIS,4227,ZINC000040899447,CHEMBL473417,50249522,NSC-747691,66903,24776445,CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1,"InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)",BPQMGSKTAYIVFO-UHFFFAOYSA-N
DB08830,490-83-5,Dehydroascorbic acid,experimental,"['9389750', '18813862', '11573006']",,,,,UU3,,ZINC000001532648,,,,27956,440667,[H][C@](O)(CO)[C@@]1([H])OC(=O)C(=O)C1=O,"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1",SBJKKFFYIZUCET-JLAZNSOCSA-N
DB08831,154-17-6,2-deoxyglucose,"['experimental', 'investigational']","['23228990', '17041593', '6293188', '14642847']",,,1733674,,,,ZINC000002512351,CHEMBL2074932,,,,108223,[H]C([H])(C=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO,"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1",VRYALKFFQXWPIH-PBXRRBTRSA-N
DB08833,516-35-8,Taurochenodeoxycholic acid,experimental,"['9429904', '9486191', '19723064']",,,,,TUD,,ZINC000005822376,CHEMBL185878,50375595,,16525,387316,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1",BHTRKEVKTKCXOH-BJLOMENOSA-N
DB08834,14605-22-2,Tauroursodeoxycholic acid,"['experimental', 'investigational']","['9486191', '22551192']",,,,,5D5,,ZINC000003914813,CHEMBL272427,50236230,TAURURSODIOL,80774,9848818,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1",BHTRKEVKTKCXOH-LBSADWJPSA-N
DB08835,4910-46-7,Spaglumic acid,experimental,"['16627568', '9395007', '18378229']","['R01AC05', 'S01GX03']",D07374,,,,4050,ZINC000002504638,CHEMBL2105616,,,135289,210320,CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O,"InChI=1S/C11H16N2O8/c1-5(14)12-7(11(20)21)4-8(15)13-6(10(18)19)2-3-9(16)17/h6-7H,2-4H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1",GUCKKCMJTSNWCU-BQBZGAKWSA-N
DB08836,111902-57-9,Temocapril,"['experimental', 'investigational']","['15618677', '1493850', '8513851', '15492767']",C09AA14,D08566,,,,2586,ZINC000003808778,CHEMBL2110627,,,135771,40466973,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)C1=CC=CS1,"InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1",FIQOFIRCTOWDOW-BJLQDIEVSA-N
DB08837,66-40-0,Tetraethylammonium,"['experimental', 'investigational']",15434379,,,,,NET,,ZINC000000896981,CHEMBL9324,50149890,TETRAETHYLAMMONIUM BROMIDE,44296,5413,CC[N+](CC)(CC)CC,"InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1",CBXCPBUEXACCNR-UHFFFAOYSA-N
DB08838,306-60-5,Agmatine,experimental,"['23769988', '15028566', '23642800', '7906055', '23685229']",,,,,AG2,,ZINC000001532560,CHEMBL58343,85213,,17431,199,NCCCCNC(N)=N,"InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)",QYPPJABKJHAVHS-UHFFFAOYSA-N
DB08839,50-67-9,Serotonin,"['nutraceutical', 'investigational']",,,,1311214,,SRO,,ZINC000000057058,CHEMBL39,10755,SEROTONIN,28790,5202,NCCC1=CNC2=CC=C(O)C=C12,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N
DB08840,114-33-0,N-methylnicotinamide,experimental,,A05AB01,,,,PJH,4862,ZINC000000404444,CHEMBL11978,50420177,,64399,64950,CNC(=O)C1=CC=CN=C1,"InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)",ZYVXHFWBYUDDBM-UHFFFAOYSA-N
DB08841,51-67-2,Tyramine,"['nutraceutical', 'investigational']",,,,10958,,AEF,2784,ZINC000000002233,CHEMBL11608,29135,TYRAMINE,15760,5610,NCCC1=CC=C(O)C=C1,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP-UHFFFAOYSA-N
DB08842,3040-38-8,Acetylcarnitine,"['approved', 'investigational']","['15591001', '16120381', '7813389', '19318118', '17223507', '19620516', '15039515', '10877193', '15363640']",N06BX12,,193,,,64,,CHEMBL1697733,,ACETYLCARNITINE,57589,7045767,CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1",RDHQFKQIGNGIED-MRVPVSSYSA-N
DB08843,113852-41-8,GS 0573,investigational,,,,,,,,,CHEMBL61733,50472235,,,64988,NC1=NC(N)=C2N=CN(CCOCP(O)(O)=O)C2=N1,"InChI=1S/C8H13N6O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H4,9,10,12,13)",XHXFQGAZAVKMFF-UHFFFAOYSA-N
DB08844,69-93-2,Uric acid,investigational,"['16596120', '17525395', '9229228', '14962621']",,,1427088,,URC,,ZINC000002041003,CHEMBL792,50325824,URIC ACID,46811,1175,O=C1NC2=C(N1)C(=O)NC(=O)N2,"InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",LEHOTFFKMJEONL-UHFFFAOYSA-N
DB08845,328-50-7,Oxogluric acid,"['experimental', 'nutraceutical', 'investigational']",1969067,,,17511,,AKG,,ZINC000001532519,CHEMBL1686,50303766,,30915,51,OC(=O)CCC(=O)C(O)=O,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",KPGXRSRHYNQIFN-UHFFFAOYSA-N
DB08846,476-66-4,Ellagic acid,investigational,15369737,,,1043181,,REF,,ZINC000003872446,CHEMBL6246,4078,ELLAGIC ACID,4775,5281855,OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2,"InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H",AFSDNFLWKVMVRB-UHFFFAOYSA-N
DB08847,51-35-4,Hydroxyproline,experimental,,,,1311548,,HYP,4272,ZINC000000901791,CHEMBL352418,50357233,,58375,5810,O[C@H]1CN[C@@H](C1)C(O)=O,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",PMMYEEVYMWASQN-DMTCNVIQSA-N
DB08848,498-96-4,Guvacine,experimental,10903390,,,,,,,ZINC000003872753,CHEMBL76768,90787,,5576,40468028,OC(=O)C1=CCCNC1,"InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)",QTDZOWFRBNTPQR-UHFFFAOYSA-N
DB08849,498-95-3,Nipecotic acid,experimental,,,,,,,,,CHEMBL277498,50003624,,116931,78246121,OC(=O)C1CCCNC1,"InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)",XJLSEXAGTJCILF-UHFFFAOYSA-N
DB08855,72025-60-6,Leukotriene C4,"['experimental', 'investigational']",,,,,,LTX,,ZINC000004095814,CHEMBL451509,,,16978,5280493,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1",GWNVDXQDILPJIG-NXOLIXFESA-N
DB08856,63631-40-3,DADLE,experimental,,,,,,,,ZINC000014952092,CHEMBL340032,21025,,,6917707,CC(C)C[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1",ZHUJMSMQIPIPTF-IBURTVSXSA-N
DB08857,,Bamet-UD2,experimental,,,,,,,,,,,,,,,,
DB08858,191595-91-2,cis-Diamminechlorocholylglycinateplatinum(II),experimental,,,,,,,,,,,,,154095,N.N.Cl.[Pt++].CC(CCC([O-])=NCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,"InChI=1S/C26H43NO6.ClH.2H3N.Pt/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;;;;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);1H;2*1H3;/q;;;;+2/p-2",RUGJYCHQQOPHCW-UHFFFAOYSA-L
DB08860,147511-69-1,Pitavastatin,approved,"['22085316', '30969322', '11385505', '19907105', '22332608', '22410289', '20847985', '12114036', '22472908', '28130659', '22607822', '10503952', '23440795', '18997196', '7968073', '21498906', '26648697', '16690967', '23047648', '25415541', '17620856', '17460607', '9841303', '15822172', '15007110', '27712954', '12860216', '16287954']",C10AA08,D01862,861634,PA142650384,,2214,ZINC000001534965,CHEMBL1201753,86707,NK-104,32020,5282452,O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC(O)=O,"InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1",VGYFMXBACGZSIL-MCBHFWOFSA-N
DB08861,88373-73-3,DPDPE,experimental,,,,,,,,ZINC000029206920,CHEMBL31421,21008,,73356,104787,CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]1C(O)=O,"InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1",MCMMCRYPQBNCPH-WMIMKTLMSA-N
DB08862,9011-97-6,Cholecystokinin,"['approved', 'investigational']","['15533776', '2991034', '15894374', '8253350', '11713976', '11007512']",V04CK02,,2420,,,,,,,,,,,,
DB08864,500287-72-9,Rilpivirine,approved,"['22096405', '23917319', '24068877', '19933797', '24008177']","['J05AG05', 'J05AR21', 'J05AR08', 'J05AR19']",D09720,1102270,,T27,4174,ZINC000001554274,CHEMBL175691,222178,TMC278,68606,6451164,CC1=CC(\C=C\C#N)=CC(C)=C1NC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1,"InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+",YIBOMRUWOWDFLG-ONEGZZNKSA-N
DB08865,877399-52-5,Crizotinib,approved,"['23686600', '22594847']",L01XE16,D09731,1148495,PA165946122,VGH,4187,ZINC000035902489,CHEMBL601719,50306682,CRIZOTINIB,64310,11626560,C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl,"InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1",KTEIFNKAUNYNJU-GFCCVEGCSA-N
DB08867,159811-51-5,Ulipristal,approved,"['22770536', '22681335', '15120421', '28219738', '17531625', '26793107', '30656992', '17077229', '29709683', '14667994', '23550906', '23437846']","['G03XB02', 'G03AD02']",D09567,1005921,,,,ZINC000034089131,CHEMBL2103846,,ULIPRISTAL,177631,13559281,CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12,"InChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1",HKDLNTKNLJPAIY-WKWWZUSTSA-N
DB08868,162359-55-9,Fingolimod,"['approved', 'investigational']","['23609782', '15772896', '22149256', '26967515', '28367411', '23609767', '25075198', '28812220', '24178903', '29125718', '28398597']",L04AA27,D10001,1012892,,,4167,ZINC000001542002,CHEMBL314854,50158336,FINGOLIMOD HYDROCHLORIDE,63115,107970,CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1,"InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3",KKGQTZUTZRNORY-UHFFFAOYSA-N
DB08869,218949-48-5,Tesamorelin,"['approved', 'investigational']","['22926095', '15028826', '22298602', '1656403', '22050344', '21687371', '22096409']",H01AC06,D09015,1044584,,,,,,,,,,CC\C=C\CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O,"InChI=1S/C216H360N72O63S/c1-25-28-30-53-161(304)256-142(90-118-54-58-120(294)59-55-118)193(334)251-114(21)175(316)271-147(94-165(308)309)194(335)252-115(22)176(317)286-168(109(16)26-2)209(350)279-144(89-117-43-31-29-32-44-117)201(342)288-170(116(23)293)210(351)280-146(93-160(226)303)200(341)284-152(102-292)205(346)275-143(91-119-56-60-121(295)61-57-119)198(339)263-128(51-41-81-244-215(236)237)182(323)262-124(46-34-36-76-218)192(333)285-167(108(14)15)207(348)278-138(85-104(6)7)179(320)248-98-164(307)254-131(63-69-154(220)297)186(327)273-141(88-107(12)13)197(338)283-149(99-289)203(344)253-113(20)174(315)258-126(49-39-79-242-213(232)233)181(322)261-123(45-33-35-75-217)185(326)272-140(87-106(10)11)196(337)274-139(86-105(8)9)195(336)267-135(67-73-158(224)301)190(331)277-148(95-166(310)311)202(343)287-169(110(17)27-3)208(349)269-136(74-83-352-24)191(332)282-150(100-290)204(345)264-129(52-42-82-245-216(238)239)183(324)266-133(65-71-156(222)299)189(330)265-130(62-68-153(219)296)178(319)247-97-163(306)255-132(64-70-155(221)298)187(328)281-151(101-291)206(347)276-145(92-159(225)302)199(340)268-134(66-72-157(223)300)188(329)260-122(47-37-77-240-211(228)229)177(318)246-96-162(305)249-111(18)172(313)257-125(48-38-78-241-212(230)231)180(321)250-112(19)173(314)259-127(50-40-80-243-214(234)235)184(325)270-137(171(227)312)84-103(4)5/h28-32,43-44,54-61,103-116,122-152,167-170,289-295H,25-27,33-42,45-53,62-102,217-218H2,1-24H3,(H2,219,296)(H2,220,297)(H2,221,298)(H2,222,299)(H2,223,300)(H2,224,301)(H2,225,302)(H2,226,303)(H2,227,312)(H,246,318)(H,247,319)(H,248,320)(H,249,305)(H,250,321)(H,251,334)(H,252,335)(H,253,344)(H,254,307)(H,255,306)(H,256,304)(H,257,313)(H,258,315)(H,259,314)(H,260,329)(H,261,322)(H,262,323)(H,263,339)(H,264,345)(H,265,330)(H,266,324)(H,267,336)(H,268,340)(H,269,349)(H,270,325)(H,271,316)(H,272,326)(H,273,327)(H,274,337)(H,275,346)(H,276,347)(H,277,331)(H,278,348)(H,279,350)(H,280,351)(H,281,328)(H,282,332)(H,283,338)(H,284,341)(H,285,333)(H,286,317)(H,287,343)(H,288,342)(H,308,309)(H,310,311)(H4,228,229,240)(H4,230,231,241)(H4,232,233,242)(H4,234,235,243)(H4,236,237,244)(H4,238,239,245)/b30-28+/t109?,110?,111-,112-,113-,114-,115-,116?,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,167-,168-,169-,170-/m0/s1",LAJJBLZKAIOLRM-YHAVXTEWSA-N
DB08870,914088-09-8,Brentuximab vedotin,"['approved', 'investigational']","['29133014', '9826579', '24023323', '12714494']",L01XC12,D09587,1147320,,,,,,,,,,,,
DB08871,253128-41-5,Eribulin,"['approved', 'investigational']","['16020666', '23010853', '23593076', '22953094']",L01XX41,D08914,1045453,,6K9,4171,ZINC000169344691,CHEMBL1683590,,ERIBULIN MONOMETHANESULFONATE,63587,11354606,[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CN)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@H]7O[C@@]8(C[C@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2,"InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1",UFNVPOGXISZXJD-JBQZKEIOSA-N
DB08872,478296-72-9,Gabapentin enacarbil,"['approved', 'investigational']","['15146028', '16732716', '15146029']",,D09539,1101333,,,4177,,CHEMBL1628502,,GSK1838262,68840,9883933,CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1,"InChI=1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)",TZDUHAJSIBHXDL-UHFFFAOYSA-N
DB08873,394730-60-0,Boceprevir,"['withdrawn', 'approved']","['28497432', '16495264', '22506260', '25585348', '23140245', '22799589']",J05AP03,D08876,1102129,PA165948902,HU5,4172,,CHEMBL218394,12311,SCH-503034,68621,10324367,[H][C@]12CN([C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C,"InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1",LHHCSNFAOIFYRV-DOVBMPENSA-N
DB08874,873857-62-6,Fidaxomicin,approved,"['26112840', '18268081', '22610025', '22752858', '20509714', '26744587', '19199915', '22752862', '22752861']",A07AA12,D09394,1111103,,FI8,4180,,CHEMBL1255800,,OPT-80,,10034073,[H][C@@]1(O[C@@H]2[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]3O[C@H](C)[C@@H](OC(=O)C4=C(CC)C(Cl)=C(O)C(Cl)=C4O)[C@H](O)[C@@H]3OC)\C(=O)O[C@@H](C\C=C(/C)\C=C2/C)[C@@H](C)O)OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O,"InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1",ZVGNESXIJDCBKN-UUEYKCAUSA-N
DB08875,849217-68-1,Cabozantinib,"['approved', 'investigational']","['26536165', '26406150', '24756794', '27835047', '21314233']",L01XE26,D10062,1363268,,,4715,ZINC000070466416,CHEMBL2105717,50021574,BMS-907351,72317,25102847,COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2,"InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)",ONIQOQHATWINJY-UHFFFAOYSA-N
DB08876,37228-64-1,Taliglucerase alfa,"['approved', 'investigational']","['19277123', '21900191']",A16AB11,D09675,1291609,,,,,,,,,,,,
DB08877,941678-49-5,Ruxolitinib,approved,"['32653055', '32518419', '30069628', '23514013', '20699411', '21926964', '31629805', '22281165', '24711661', '24206094', '23061804', '32470486', '21919691', '21602517', '24756798']",L01XE18,D09959,1193326,PA166123386,RXT,4190,ZINC000043207851,CHEMBL1789941,50355501,INCB018424,66919,25126798,N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1,"InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1",HFNKQEVNSGCOJV-OAHLLOKOSA-N
DB08878,54-62-6,Aminopterin,"['withdrawn', 'investigational']","['19011571', '22653877', '12210010', '16299240', '15440837']",,D02527,1440264,,04J,21,ZINC000002036915,CHEMBL376180,50367055,AMINOPTERIN SODIUM,22526,169371,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1,"InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1",TVZGACDUOSZQKY-LBPRGKRZSA-N
DB08879,356547-88-1,Belimumab,approved,22428610,L04AA26,D03068,1092437,,,,,,,,,,,,
DB08880,163451-81-8,Teriflunomide,approved,"['18782502', '16567708']",L04AA31,D10172,1310520,,A26,4634,ZINC000013512456,CHEMBL973,50018011,A77 1726,68540,54684141,C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-",UTNUDOFZCWSZMS-YFHOEESVSA-N
DB08881,918504-65-1,Vemurafenib,approved,"['22083257', '23094782', '25096067', '28255850', '27863476', '25729580', '27995058']","['L01XE15', 'G01AE10']",D09996,1147220,PA165946873,032,4185,ZINC000052509366,CHEMBL1229517,50396483,PLX4032,63637,42611257,CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1,"InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)",GPXBXXGIAQBQNI-UHFFFAOYSA-N
DB08882,668270-12-0,Linagliptin,approved,"['20086031', '22568694', '22149370', '29171139']","['A10BH05', 'A10BD11', 'A10BD19']",D09566,1100699,,356,4175,ZINC000003820029,CHEMBL237500,50228403,BI 1356,68610,10096344,CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1,"InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1",LTXREWYXXSTFRX-QGZVFWFLSA-N
DB08883,380917-97-5,Perampanel,approved,21635236,N03AX22,D08964,1356552,,6ZP,4684,ZINC000030691797,CHEMBL1214124,50184410,E2007,71013,9924495,O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H",PRMWGUBFXWROHD-UHFFFAOYSA-N
DB08884,135326-11-3,Gadoxetic acid,approved,22504332,V08CA10,D04288,802624,PA165985534,,,,,,,,25203894,[Gd+3].[H][C@@](CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)(CC1=CC=C(OCC)C=C1)N(CC(O)=O)CC(O)=O,"InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1",PCZHWPSNPWAQNF-LMOVPXPDSA-K
DB08885,862111-32-8,Aflibercept,approved,"['23560774', '23673444']","['L01XX44', 'S01LA05']",D09574,1232150,,,,,,,,,,,,
DB08886,1349719-22-7,Asparaginase Erwinia chrysanthemi,"['approved', 'investigational']","['25098829', '27440950', '20824725']",,D02997,1431738,,,,,,,,,,,,
DB08887,86227-47-6,Icosapent ethyl,"['approved', 'nutraceutical', 'investigational']",23701295,,D01892,1304974,,,1413,ZINC000003785276,CHEMBL2095209,,AMR101,84883,9831415,CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,"InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-",SSQPWTVBQMWLSZ-AAQCHOMXSA-N
DB08888,1048016-09-6,Ocriplasmin,approved,,S01XA22,D09646,29998,,,,,,,,,,,,
DB08889,868540-17-4,Carfilzomib,"['approved', 'investigational']","['23393020', '17591945']",L01XX45,D08880,1302966,PA166165203,,4483,ZINC000049841054,CHEMBL451887,50277889,PR-171,65347,11556711,CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,"InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1",BLMPQMFVWMYDKT-NZTKNTHTSA-N
DB08890,851199-59-2,Linaclotide,approved,23090647,A06AX04,D09355,1307404,,,4622,,CHEMBL3301675,,MD-1100 ACETATE,68551,16158208,[H][C@]1(CSSC[C@]2([H])NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N3)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1",KXGCNMMJRFDFNR-WDRJZQOASA-N
DB08891,69308-37-8,Arbaclofen,investigational,"['21577221', '19502531']",,,,,2C0,,ZINC000000000061,CHEMBL301742,50032964,ARBACLOFEN,190735,6918881,[H][C@@](CN)(CC(O)=O)C1=CC=C(Cl)C=C1,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1",KPYSYYIEGFHWSV-QMMMGPOBSA-N
DB08892,847353-30-4,Arbaclofen Placarbil,investigational,"['21577221', '19502531']",,D08861,,,,,ZINC000014209416,CHEMBL2107312,,ARBACLOFEN PLACARBIL,,11281011,CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)C1=CC=C(Cl)C=C1)OC(=O)C(C)C,"InChI=1S/C19H26ClNO6/c1-11(2)17(24)26-18(12(3)4)27-19(25)21-10-14(9-16(22)23)13-5-7-15(20)8-6-13/h5-8,11-12,14,18H,9-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,18-/m0/s1",JXTAALBWJQJLGN-KSSFIOAISA-N
DB08893,223673-61-8,Mirabegron,approved,"['23550899', '17293563', '29164523', '22269146', '30860748']",G04BD12,D09535,1300786,,H6U,4382,ZINC000001996784,CHEMBL2095212,,MIRABEGRON,65349,9865528,NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=CS1,"InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1",PBAPPPCECJKMCM-IBGZPJMESA-N
DB08894,913976-27-9,Peginesatide,"['approved', 'investigational']","['23506424', '23318685', '22188389']",B03XA04,D09947,1248798,,,,,,,,,,,,
DB08895,477600-75-2,Tofacitinib,"['approved', 'investigational']",26899199,L04AA29,D09970,1357536,,MI1,4713,ZINC000003818808,CHEMBL221959,50193995,CP-690550,71200,9926791,C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N,"InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1",UJLAWZDWDVHWOW-YPMHNXCESA-N
DB08896,755037-03-7,Regorafenib,approved,26254357,L01XE21,D10138,1312397,,,4654,ZINC000006745272,CHEMBL1946170,50363397,BAY 73-4506,68647,11167602,CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1,"InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)",FNHKPVJBJVTLMP-UHFFFAOYSA-N
DB08897,727649-81-2,Aclidinium,approved,"['23641160', '23566013', '20332199', '23553509']","['R03BB05', 'R03AL05']",D08837,1303098,,,,ZINC000030691727,CHEMBL1194325,50296331,GENUAIR,65346,11434515,OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1,"InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1",ASMXXROZKSBQIH-VITNCHFBSA-N
DB08898,9074-87-7,Glucarpidase,"['approved', 'investigational']","['23170306', '23209370']",V03AF09,D10260,1242127,,,,,,,,,,,,
DB08899,915087-33-1,Enzalutamide,approved,23699654,L02BB04,D10218,1307298,,,4628,ZINC000034806477,CHEMBL1082407,50425732,MDV3100,68534,15951529,CNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F,"InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)",WXCXUHSOUPDCQV-UHFFFAOYSA-N
DB08900,197922-42-2,Teduglutide,approved,"['23591284', '22570676', '23729002']",A16AX08,D06053,1364468,,,4718,,,,,,,,,
DB08901,943319-70-8,Ponatinib,"['approved', 'investigational']",23226582,L01XE24,D09950,1364347,PA165980594,0LI,4716,ZINC000036701290,CHEMBL1171837,50322535,AP-24534,78543,24826799,CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1,"InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)",PHXJVRSECIGDHY-UHFFFAOYSA-N
DB08902,565451-13-0,Raxibacumab,approved,20068396,J06BB18,D05706,1366567,,,,,,,,,,,,
DB08903,843663-66-1,Bedaquiline,approved,20521931,J04AK05,D09872,1364504,,BQ1,4741,ZINC000004655029,CHEMBL376488,50063995,TMC-207,72292,5388906,COC1=NC2=C(C=C(Br)C=C2)C=C1[C@@H](C1=CC=CC=C1)[C@@](O)(CCN(C)C)C1=CC=CC2=C1C=CC=C2,"InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1",QUIJNHUBAXPXFS-XLJNKUFUSA-N
DB08904,428863-50-7,Certolizumab pegol,approved,"['28976302', '16478695', '28124979', '18161752', '27843368', '17020954', '28280401', '28353055', '28550592']",L04AB05,D03441,709271,PA165107055,,,,,,,,,,,
DB08905,566-48-3,Formestane,"['withdrawn', 'approved', 'investigational']","['10586340', '11358673', '7873457', '7873455', '17207827']",L02BG02,D07260,15070,,,1238,ZINC000003919580,CHEMBL132530,225704,,75172,11273,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C,"InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1",OSVMTWJCGUFAOD-KZQROQTASA-N
DB08906,397864-44-7,Fluticasone furoate,approved,"['2287791', '23184737', '23578031', '2287792', '18047814', '28587510']","['R03BA09', 'R03AL08', 'R03AK10', 'R01AD12']",D06315,705022,,GW6,4554,ZINC000003992105,CHEMBL1676,50354851,VERAMYST,74899,9854489,[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1",XTULMSXFIHGYFS-VLSRWLAYSA-N
DB08907,842133-18-0,Canagliflozin,approved,"['23882055', '23590413', '28836175', '18695749', '24569552', '27181936']","['A10BK02', 'A10BD16']",D09592,1373458,,,4758,ZINC000043207238,CHEMBL2048484,50386885,CANAGLIFLOZIN,73274,24812758,[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(C)C(CC2=CC=C(S2)C2=CC=C(F)C=C2)=C1,"InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1",XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
DB08908,624-49-7,Dimethyl fumarate,"['approved', 'investigational']",21067468,L04AX07,D03846,1373478,PA166152838,EOU,4757,ZINC000003843378,CHEMBL2107333,50504654,DIMETHYL FUMARATE,76004,637568,[H]\C(=C(\[H])C(=O)OC)C(=O)OC,"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+",LDCRTTXIJACKKU-ONEGZZNKSA-N
DB08909,611168-24-2,Glycerol phenylbutyrate,approved,,A16AX09,D10127,1368451,,,4745,,CHEMBL2105745,,HPN100,134745,10482134,O=C(CCCC1=CC=CC=C1)OCC(COC(=O)CCCC1=CC=CC=C1)OC(=O)CCCC1=CC=CC=C1,"InChI=1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2",ZSDBFLMJVAGKOU-UHFFFAOYSA-N
DB08910,19171-19-8,Pomalidomide,approved,"['22917017', '23730498', '23690693']",L04AX06,D08976,1369713,,,4746,,CHEMBL43452,65456,POMALYST,72690,134780,NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O,"InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)",UVSMNLNDYGZFPF-UHFFFAOYSA-N
DB08911,871700-17-3,Trametinib,approved,"['22805291', '23432625']",L01XE25,D10175,1425099,PA166115364,,4802,ZINC000043100709,CHEMBL2103875,50531540,JTP 74057,75998,11707110,CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(NC(C)=O)=CC=C1,"InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)",LIRYPHYGHXZJBZ-UHFFFAOYSA-N
DB08912,1195765-45-7,Dabrafenib,"['approved', 'investigational']",23621583,L01XE23,D10064,1424911,,P06,4801,ZINC000068153186,CHEMBL2028663,50428286,DABRAFENIB MESYLATE,75045,44462760,CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1,"InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)",BFSMGDJOXZAERB-UHFFFAOYSA-N
DB08913,444811-40-9,Radium Ra 223 dichloride,"['approved', 'investigational']","['17062709', '17544845', '23682134']",,D10398,1424174,,,4800,,CHEMBL2107816,,,74895,,[Cl-].[Cl-].[223Ra++],InChI=1S/2ClH.Ra/h2*1H;/q;;+2/p-2/i;;1-3,RWRDJVNMSZYMDV-SIUYXFDKSA-L
DB08915,475479-34-6,Aleglitazar,investigational,19515415,,D08845,,,RO7,,ZINC000049573657,CHEMBL519504,50277897,RO-0728804,,10274777,CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O,"InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1",DAYKLWSKQJBGCS-NRFANRHFSA-N
DB08916,850140-72-6,Afatinib,approved,"['22200729', '27470518']",L01XE13,D09724,1430438,PA165981154,0WM,4318,ZINC000003976838,CHEMBL1173655,50322823,AFATINIB DIMALEATE,61390,10184653,CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1,"InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1",ULXXDDBFHOBEHA-CWDCEQMOSA-N
DB08917,9007-72-1,Ferric carboxymaltose,approved,,,D08920,1433693,,,,,,,,,,,,
DB08918,96847-54-0,Levomilnacipran,"['approved', 'investigational']",,,D10072,1433212,,,4864,ZINC000000000506,CHEMBL99946,50032379,F2695,136040,6917779,CCN(CC)C(=O)[C@]1(C[C@H]1CN)C1=CC=CC=C1,"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1",GJJFMKBJSRMPLA-DZGCQCFKSA-N
DB08921,5989-27-5,(4R)-limonene,investigational,,,D00194,1426476,,,,ZINC000000967513,CHEMBL449062,,D-LIMONENE,15382,440917,CC(=C)[C@@H]1CCC(C)=CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1",XMGQYMWWDOXHJM-JTQLQIEISA-N
DB08922,150915-41-6,Perospirone,experimental,"['17239041', '11463136', '1975278', '23812802', '15257064']",,,,,,2112,ZINC000013828184,CHEMBL1472975,,PEROSPIRONE,94777,115368,[H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O,"InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+",FBVFZWUMDDXLLG-HDICACEKSA-N
DB08924,5581-35-1,Amfecloral,experimental,,,D02926,,,,5113,,CHEMBL2105544,,,135924,,CC(CC1=CC=CC=C1)\N=C\C(Cl)(Cl)Cl,"InChI=1S/C11H12Cl3N/c1-9(15-8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b15-8+",VBZDETYCYXPOAK-OVCLIPMQSA-N
DB08925,63547-13-7,Adrafinil,withdrawn,,N06BX17,D07348,45938,,,95,,CHEMBL93077,,,135200,3033226,ONC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)",CGNMLOKEMNBUAI-UHFFFAOYSA-N
DB08926,80-03-5,Acediasulfone,experimental,,,,,,,44,ZINC000000000862,CHEMBL48396,50099670,,135300,66451,[H]N([H])C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)N([H])CC(O)=O,"InChI=1S/C14H14N2O4S/c15-10-1-5-12(6-2-10)21(19,20)13-7-3-11(4-8-13)16-9-14(17)18/h1-8,16H,9,15H2,(H,17,18)",FKKUMFTYSTZUJG-UHFFFAOYSA-N
DB08927,75558-90-6,Amperozide,experimental,"['8999770', '1403783', '2224491', '1979998', '1388121', '2304893', '1788479', '1924636', '2154737']",,,,,,193,ZINC000004214849,CHEMBL1079935,50311786,,180480,73333,[H]N(CC)C(=O)N1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1,"InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)",NNAIYOXJNVGUOM-UHFFFAOYSA-N
DB08928,119-96-0,Arsthinol,experimental,1231604,P01AR01,D07356,,,,3007,,CHEMBL1788384,,,135465,8414,CC(=O)NC1=CC(=CC=C1O)[As]1SCC(CO)S1,"InChI=1S/C11H14AsNO3S2/c1-7(15)13-10-4-8(2-3-11(10)16)12-17-6-9(5-14)18-12/h2-4,9,14,16H,5-6H2,1H3,(H,13,15)",MRUDSZSRLQAPOG-UHFFFAOYSA-N
DB08930,1051375-16-6,Dolutegravir,approved,"['19884365', '21716073', '24081387', '23669385', '21719464', '24052331', '22380682', '28692533', '25134686', '22789987', '23824675', '23830355', '23830358', '21381981']","['J05AR27', 'J05AR21', 'J05AX12', 'J05AR13', 'J05AR25']",D10066,1433868,PA166114961,DLU,4805,ZINC000058581064,CHEMBL1229211,50062551,GSK1349572,76010,54726191,[H][C@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(O)=C3C(=O)N1[C@H](C)CCO2,"InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1",RHWKPHLQXYSBKR-BMIGLBTASA-N
DB08931,625115-55-1,Riociguat,approved,"['22044316', '24218053', '25395817', '26219978', '26599488']",C02KX05,D09572,1439816,,GZO,4807,ZINC000003819392,CHEMBL2107834,,BAY 63-2521,76018,11304743,COC(=O)N(C)C1=C(N)N=C(N=C1N)C1=NN(CC2=C(F)C=CC=C2)C2=C1C=CC=N2,"InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)",WXXSNCNJFUAIDG-UHFFFAOYSA-N
DB08932,441798-33-0,Macitentan,approved,"['25860376', '26956245', '29719121', '29540357']",C02KX04,D10135,1442132,,,4809,ZINC000043202140,CHEMBL2103873,50395626,OPSUMIT,76607,16004692,CCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1,"InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)",JGCMEBMXRHSZKX-UHFFFAOYSA-N
DB08933,187164-19-8,Luliconazole,approved,"['9559824', '15365862']",D01AC18,D01980,1482680,,,4813,ZINC000003929486,CHEMBL2105689,,NND-502,34825,3003141,ClC1=CC(Cl)=C(C=C1)[C@@H]1CS\C(S1)=C(\C#N)N1C=CN=C1,"InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1",YTAOBBFIOAEMLL-REQDGWNSSA-N
DB08934,1190307-88-0,Sofosbuvir,approved,"['28497432', '23262999', '27482432', '15483230', '26196665', '20801890', '25585348', '24733478', '9305675', '26426038', '28248189', '24289735', '25659285']","['J05AP51', 'J05AP08', 'J05AP55', 'J05AP56']",D10366,1484911,PA166122593,,4811,ZINC000100074252,CHEMBL1259059,50239940,SOFOSBUVIR,85083,45375808,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(F)[C@@H]1O)OC1=CC=CC=C1,"InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1",TTZHDVOVKQGIBA-IQWMDFIBSA-N
DB08935,949142-50-1,Obinutuzumab,"['approved', 'investigational']",,L01XC15,D09321,974779,,,,,,,,,,,,
DB08936,82-93-9,Chlorcyclizine,approved,"['14334288', '21058326']",R06AE04,,2354,,,593,,CHEMBL22150,50329371,CHLORCYCLIZINE,94402,2710,CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3",WFNAKBGANONZEQ-UHFFFAOYSA-N
DB08937,733030-01-8,TAS-102,investigational,15289858,,,,,,,,,,,,,,,
DB08938,74978-16-8,Magaldrate,"['withdrawn', 'approved']","['1790087', '8462913']","['A02AF01', 'A02AD02']",D04832,29151,,,,,CHEMBL3833350,,,,122706784,O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1S/5Al.10Mg.2H2O4S.32H2O/c;;;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);32*1H2/q5*+3;10*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-35",SPPNVMTVMQOKSC-UHFFFAOYSA-A
DB08939,53943-88-7,Letosteine,experimental,21840272,R05CB09,,28554,,,1555,,CHEMBL2105044,,,88271,68707,CCOC(=O)CSCCC1NC(CS1)C(O)=O,"InChI=1S/C10H17NO4S2/c1-2-15-9(12)6-16-4-3-8-11-7(5-17-8)10(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)",IKOCLISPVJZJEA-UHFFFAOYSA-N
DB08940,853-34-9,Kebuzone,experimental,11386636,M01AA06,D01567,28198,,,1522,ZINC000100004242,CHEMBL2107720,,,31749,3824,CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3",LGYTZKPVOAIUKX-UHFFFAOYSA-N
DB08941,395-28-8,Isoxsuprine,"['withdrawn', 'approved']",,C04AA01,,6066,,,1510,ZINC000009302317,,,,,11779629,C[C@H](COC1=CC=CC=C1)N[C@H](C)[C@@H](O)C1=CC=C(O)C=C1,"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3/t13-,14-,18-/m1/s1",BMUKKTUHUDJSNZ-HBUWYVDXSA-N
DB08942,34552-84-6,Isoxicam,"['withdrawn', 'approved']","['3500509', '1236641']",,D04639,,PA166049183,ICD,1509,ZINC000049538599,CHEMBL53292,50248151,,76163,54677972,CN1C(C(=O)NC2=NOC(C)=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O,"InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)",YYUAYBYLJSNDCX-UHFFFAOYSA-N
DB08943,27523-40-6,Isoconazole,approved,"['1302811', '23574020', '23574019']","['D01AC05', 'G01AF20', 'G01AF07']",D04624,27901,,,3309,,CHEMBL1571863,31771,,83667,3760,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=C(Cl)C=CC=C1Cl,"InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2",MPIPASJGOJYODL-UHFFFAOYSA-N
DB08944,77-51-0,Isoaminile,"['withdrawn', 'approved']",,R05DB04,D08088,27866,,,1487,,,,,,12162152,CC(C)[C@@](C[C@H](C)N(C)C)(C#N)C1=CC=CC=C1,"InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3/t14-,16+/m0/s1",WFLSCFISQHLEED-GOEBONIOSA-N
DB08945,51022-74-3,Iotroxic acid,"['withdrawn', 'experimental']",,V08AC02,,,,,3991,,CHEMBL1651905,,,31716,3740,OC(=O)C1=C(I)C(NC(=O)COCCOCCOCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I,"InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)",JXMIBUGMYLQZGO-UHFFFAOYSA-N
DB08946,96-83-3,Iopanoic acid,"['withdrawn', 'approved']",22434082,V08AC06,,5967,,,1465,,CHEMBL867,,,5951,3735,CCC(CC1=C(I)C(N)=C(I)C=C1I)C(O)=O,"InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)",OIRFJRBSRORBCM-UHFFFAOYSA-N
DB08947,60166-93-0,Iopamidol,approved,24762552,V08AB04,D01797,5966,,,1464,ZINC000003830947,CHEMBL1200932,,ISOVUE,31711,65492,C[C@H](O)C(=O)NC1=C(I)C(C(=O)NC(CO)CO)=C(I)C(C(=O)NC(CO)CO)=C1I,"InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1",XQZXYNRDCRIARQ-LURJTMIESA-N
DB08948,440-58-4,Iodamide,withdrawn,,V08AA03,D01376,5928,,,1452,ZINC000003830933,CHEMBL1201239,,CHOLOGRAFIN MEGLUMINE,31703,3723,CC(=O)NCC1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I,"InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)",VVDGWALACJEJKG-UHFFFAOYSA-N
DB08949,6556-11-2,Inositol nicotinate,"['withdrawn', 'approved']","['546424', '11122723', '27793642', '14986567', '12873710', '15642562', '23347001', '18375237', '15183629']",C04AC03,D01813,27604,,,1445,ZINC000150338506,CHEMBL1094982,,HEXOPAL,31699,,O=C(O[C@H]1[C@H](OC(=O)C2=CC=CN=C2)[C@@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C2=CC=CN=C2)[C@@H]1OC(=O)C1=CC=CN=C1)C1=CC=CN=C1,"InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-",MFZCIDXOLLEMOO-GYSGTQPESA-N
DB08950,26844-12-2,Indoramin,"['withdrawn', 'approved']",,C02CA02,D04531,5784,,,1443,ZINC000000001567,CHEMBL279516,50033113,,135470,33625,O=C(NC1CCN(CCC2=CNC3=C2C=CC=C3)CC1)C1=CC=CC=C1,"InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)",JXZZEXZZKAWDSP-UHFFFAOYSA-N
DB08951,31842-01-0,Indoprofen,withdrawn,3949444,M01AE10,D04530,,,,1442,,CHEMBL15870,50233673,PRAXIS,76162,3718,CC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O,"InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)",RJMIEHBSYVWVIN-UHFFFAOYSA-N
DB08952,60607-68-3,Indenolol,withdrawn,19203609,,D08078,,,,,,CHEMBL153585,,INDENOLOL,,71955,CC(C)NCC(O)COC1=CC=CC2=C1C=CC2,"InChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3",MPGBPFMOOXKQRX-UHFFFAOYSA-N
DB08953,63758-79-2,Indalpine,"['withdrawn', 'investigational']","['3058454', '20034793']",,,,,,1432,ZINC000004674528,CHEMBL276520,50029150,,134939,44668,C(CC1=CNC2=CC=CC=C12)C1CCNCC1,"InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2",SADQVAVFGNTEOD-UHFFFAOYSA-N
DB08954,23210-56-2,Ifenprodil,"['withdrawn', 'investigational']","['30106266', '31822599', '32130432', '25462287', '7901753', '27135925']",C04AX28,D08064,27403,,,1419,,CHEMBL305187,50083351,IFENPRODIL,93829,3689,CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1,"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3",UYNVMODNBIQBMV-UHFFFAOYSA-N
DB08955,53648-05-8,Ibuproxam,withdrawn,7193032,M01AE13,D07268,,,,1411,,CHEMBL292707,50012894,,76160,68704,CC(C)CC1=CC=C(C=C1)C(C)C(=O)NO,"InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)",BYPIURIATSUHDW-UHFFFAOYSA-N
DB08956,303-01-5,Hydroxydione,"['withdrawn', 'investigational']",13329402,,,,,,,ZINC000004900230,,,,86384,257630,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO,"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1",USPYDUPOCUYHQL-VEVMSBRDSA-N
DB08957,3215-70-1,Hexoprenaline,"['withdrawn', 'experimental']",195789,"['R03CC05', 'R03AC06']",,5307,,,1372,,CHEMBL1589896,50239967,,,3609,OC(CNCCCCCCNCC(O)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1,"InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2",OXLZNBCNGJWPRV-UHFFFAOYSA-N
DB08958,141-94-6,Hexetidine,"['approved', 'investigational']","['21356020', '3183']","['A01AB12', 'G01AX16']",D07068,5301,,,3277,,CHEMBL144673,,HEXETIDINE,94339,3607,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,"InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3",DTOUUUZOYKYHEP-UHFFFAOYSA-N
DB08960,60-26-4,Hexamethonium,experimental,1710523,,,,,,1366,ZINC000001530808,CHEMBL100622,50038416,HEXAMETHONIUM,5700,3604,C[N+](C)(C)CCCCCC[N+](C)(C)C,"InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2",VZJFGSRCJCXDSG-UHFFFAOYSA-N
DB08961,27589-33-9,Azosemide,investigational,,,,18651,,,278,ZINC000005843546,CHEMBL1097235,,AZOSEMIDE,31248,2273,NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CS2)C(=C1)C1=NNN=N1,"InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)",HMEDEBAJARCKCT-UHFFFAOYSA-N
DB08962,26944-48-9,Glibornuride,"['withdrawn', 'investigational']",,A10BB04,D02427,102846,,,1298,ZINC000002012812,CHEMBL529888,,,135545,12818200,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@@H]1[C@H](O)[C@]2(C)CC[C@H]1C2(C)C,"InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)/t13-,14+,15+,18+/m1/s1",RMTYNAPTNBJHQI-LLDVTBCESA-N
DB08963,3820-67-5,Glafenine,withdrawn,2873910,N02BG03,D01351,,,,1297,,CHEMBL146095,50103508,,31653,3474,OCC(O)COC(=O)C1=C(NC2=C3C=CC(Cl)=CC3=NC=C2)C=CC=C1,"InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)",GWOFUCIGLDBNKM-UHFFFAOYSA-N
DB08964,64318-79-2,Gemeprost,"['withdrawn', 'approved']","['12452468', '12972009', '9866000', '2996248']",G02AD03,D02073,12449,,,1284,ZINC000004216393,CHEMBL1908315,,PREGLANDIN,135626,5282237,CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(=O)OC,"InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3/b12-10+,14-13+/t17-,18-,20-,21-/m1/s1",KYBOHGVERHWSSV-VNIVIJDLSA-N
DB08965,1393-87-9,Fusafungine,"['withdrawn', 'approved']",,R02AB03,,25437,,,,,,,,,3084092,[H]C1(OC(=O)[C@]([H])(C(C)C)N(C)C(=O)C([H])(OC(=O)[C@]([H])(C(C)C)N(C)C(=O)C([H])(OC(=O)[C@]([H])(C(C)C)N(C)C1=O)C(C)C)C(C)C)C(C)C,"InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25?,26?,27?/m0/s1",MIZMDSVSLSIMSC-OGLSAIDSSA-N
DB08966,804-30-8,Fursultiamine,approved,15973508,,,4604,,,1259,,CHEMBL1740659,,FURSULTIAMINE,135636,3002119,C\C(N(CC1=C(N)N=C(C)N=C1)C=O)=C(\CCO)SSCC1CCCO1,"InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)/b16-12+",JTLXCMOFVBXEKD-FOWTUZBSSA-N
DB08967,7456-24-8,Dimetotiazine,approved,,N02CX05,,50138,,,1235,,CHEMBL346977,,,135616,3089,CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(=O)(=O)N(C)C)N(C)C,"InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3",VWNWVCJGUMZDIU-UHFFFAOYSA-N
DB08968,18053-31-1,Fominoben,"['withdrawn', 'experimental']",,,,183875,,,1234,ZINC000000607900,CHEMBL1697837,,,135639,3407,CN(CC(=O)N1CCOCC1)CC1=C(Cl)C=CC=C1NC(=O)C1=CC=CC=C1,"InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)",KSNNEUZOAFRTDS-UHFFFAOYSA-N
DB08969,333-36-8,Flurothyl,withdrawn,,,,,,,3241,ZINC000001482071,CHEMBL477874,,,134824,9528,FC(F)(F)COCC(F)(F)F,"InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2",KGPPDNUWZNWPSI-UHFFFAOYSA-N
DB08970,2193-87-5,Fluprednidene,experimental,,"['D07XB03', 'D07AB07', 'D07CB02']",,236650,,,4553,ZINC000004213363,CHEMBL2106763,,,135989,11794741,[H][C@@]12CC(=C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1",YVHXHNGGPURVOS-SBTDHBFYSA-N
DB08971,152-97-6,Fluocortolone,"['withdrawn', 'approved']",,"['S01CA04', 'C05AA08', 'D07CC06', 'D07XC05', 'D07AC05', 'D07BC03', 'H02AB03']",,4463,,,1206,ZINC000004213353,CHEMBL251634,,FLUOCORTOLONE,135581,9053,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1",GAKMQHDJQHZUTJ-ULHLPKEOSA-N
DB08972,42835-25-6,Flumequine,withdrawn,,J01MB07,,25112,,,1197,,CHEMBL370252,,,85269,3374,CC1CCC2=CC(F)=CC3=C2N1C=C(C(O)=O)C3=O,"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)",DPSPPJIUMHPXMA-UHFFFAOYSA-N
DB08973,3693-39-8,Fluclorolone acetonide,"['withdrawn', 'approved']",1252855,,,103447,,,3232,ZINC000004213332,CHEMBL461332,,,135787,20054914,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,"InChI=1S/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,16-17,19,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",NJNWEGFJCGYWQT-VSXGLTOVSA-N
DB08974,31430-15-6,Flubendazole,"['withdrawn', 'experimental']",,P02CA05,D04200,25096,,,1186,ZINC000003830847,CHEMBL1454946,,,77095,35802,COC(=O)NC1=NC2=C(N1)C=CC(=C2)C(=O)C1=CC=C(F)C=C1,"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)",CPEUVMUXAHMANV-UHFFFAOYSA-N
DB08975,519-95-9,Florantyrone,withdrawn,,,,,,,1181,ZINC000002036732,CHEMBL2106357,,,135279,10617,OC(=O)CCC(=O)C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1,"InChI=1S/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)",QOBAOSCOLAGPKI-UHFFFAOYSA-N
DB08976,23779-99-9,Floctafenine,"['withdrawn', 'approved']",,N02BG04,,4444,,,1178,,CHEMBL2105075,,,31612,3360,OCC(O)COC(=O)C1=CC=CC=C1NC1=CC=NC2=C(C=CC=C12)C(F)(F)F,"InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)",APQPGQGAWABJLN-UHFFFAOYSA-N
DB08978,34786-74-8,Fentonium,withdrawn,,A03BB04,D07951,,,,,ZINC000100368269,CHEMBL3989849,,,135781,,[H][C@](CO)(C(=O)O[C@]1([H])C[C@]2([H])CC[C@]([H])(C1)[N+]2(C)CC(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C31H34NO4/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24/h2-15,26-29,33H,16-21H2,1H3/q+1/t26-,27+,28+,29-,32?/m1/s1",CSYZZFNWCDOVIM-OCTNZTSRSA-N
DB08979,5053-06-5,Fenspiride,experimental,,"['R03DX03', 'R03BX01']",,4335,,,1163,ZINC000000001441,CHEMBL576127,,,94558,3344,O=C1NCC2(CCN(CCC3=CC=CC=C3)CC2)O1,"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)",FVNFBBAOMBJTST-UHFFFAOYSA-N
DB08980,13042-18-7,Fendiline,withdrawn,,C08EA01,D07185,4327,,,1148,,CHEMBL254832,61401,,94434,3336,CC(NCCC(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3",NMKSAYKQLCHXDK-UHFFFAOYSA-N
DB08981,36330-85-5,Fenbufen,approved,,M01AE05,D01344,24830,PA166049176,,1145,ZINC000000001427,CHEMBL277522,50240374,,31599,3335,OC(=O)CCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)",ZPAKPRAICRBAOD-UHFFFAOYSA-N
DB08982,73-09-6,Etozoline,experimental,,,,,,,1114,,CHEMBL330829,,,,5743585,[H]\C(C(=O)OCC)=C1\SC(N2CCCCC2)C(=O)N1C,"InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3/b10-9-",ZCKKHYXUQFTBIK-KTKRTIGZSA-N
DB08983,31637-97-5,Etofibrate,experimental,,C10AB09,D07187,24609,,,1106,ZINC000002019929,CHEMBL358150,,,135535,65777,CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCOC(=O)C1=CN=CC=C1,"InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3",XXRVYAFBUDSLJX-UHFFFAOYSA-N
DB08984,30544-47-9,Etofenamate,experimental,,M02AA06,D04102,24608,,,3211,ZINC000002034516,CHEMBL1451633,,ETOFENAMATE,94731,35375,OCCOCCOC(=O)C1=CC=CC=C1NC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2",XILVEPYQJIOVNB-UHFFFAOYSA-N
DB08985,709-55-7,Etilefrine,"['withdrawn', 'approved']",,"['C01CA01', 'C01CA51']",D07931,4169,,,1101,,CHEMBL86882,97154,ETILEFRIN,91518,3306,CCNCC(O)C1=CC=CC(O)=C1,"InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3",SQVIAVUSQAWMKL-UHFFFAOYSA-N
DB08986,21715-46-8,Etifoxine,"['withdrawn', 'investigational']",,N05BX03,D07320,24441,,,1099,,CHEMBL2106227,,ETIFOXINE,135272,135413553,CCNC1=NC2=CC=C(Cl)C=C2C(C)(O1)C1=CC=CC=C1,"InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)",IBYCYJFUEJQSMK-UHFFFAOYSA-N
DB08987,36637-18-0,Etidocaine,approved,,"['N01BB07', 'N01BB57']",D04095,4171,,,1097,,CHEMBL492,50225497,,4904,37497,CCCN(CC)C(CC)C(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)",VTUSIVBDOCDNHS-UHFFFAOYSA-N
DB08988,77-15-6,Ethoheptazine,"['withdrawn', 'approved']",,,D01435,24484,,,1085,,CHEMBL170797,,,135074,6469,CCOC(=O)C1(CCCN(C)CC1)C1=CC=CC=C1,"InChI=1S/C16H23NO2/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16/h4-6,8-9H,3,7,10-13H2,1-2H3",WGJHHMKQBWSQIY-UHFFFAOYSA-N
DB08989,304-84-7,Etamivan,withdrawn,,R07AB04,D04080,24453,,2DL,1074,ZINC000000000266,CHEMBL1229908,50482752,,92675,9363,CCN(CC)C(=O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3",BQJODPIMMWWMFC-UHFFFAOYSA-N
DB08990,10402-90-1,Eprazinone,"['withdrawn', 'experimental']",,R05CB04,D07902,24272,,,1035,,CHEMBL1885437,,,82716,3245,CCOC(CN1CCN(CC(C)C(=O)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3",BSHWLCACYCVCJE-UHFFFAOYSA-N
DB08991,18694-40-1,Epirizole,experimental,,,D01394,,,,1029,ZINC000000057412,CHEMBL1411693,,,31545,3242,COC1=CC(C)=NN1C1=NC(C)=CC(OC)=N1,"InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3",RHAXSHUQNIEUEY-UHFFFAOYSA-N
DB08992,64840-90-0,Eperisone,investigational,"['18727454', '17958338']",M03BX09,D01671,,,,1022,,CHEMBL1902981,,EPERISONE,77070,3236,CCC1=CC=C(C=C1)C(=O)C(C)CN1CCCCC1,"InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3",SQUNAWUMZGQQJD-UHFFFAOYSA-N
DB08993,33103-22-9,Enviomycin,experimental,,J04AB06,D07897,,,,3180,ZINC000169291448,CHEMBL2146142,,ENVIOMYCIN,,20055267,[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)[C@H](O)CCN)=C\NC(N)=O,"InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7-/t10-,11-,12+,14+,15+,16-,18+/m1/s1",HPWIIERXAFODPP-GHBBWTPBSA-N
DB08994,18471-20-0,Ditazole,"['withdrawn', 'experimental']",,B01AC01,D07138,,,,929,,CHEMBL2104306,,,135383,29088,OCCN(CCO)C1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2",UUCMDZWCRNZCOY-UHFFFAOYSA-N
DB08995,520-27-4,Diosmin,"['approved', 'investigational']","['31547271', '30203575', '23738475', '31487997', '28218955', '30228853', '33302042', '14644660', '1551741', '24934505', '9661887', '1956869', '23886889']","['C05CA53', 'C05CA03']",D07858,3489,,,3157,ZINC000004098512,CHEMBL231884,153267,DAFLON,4631,5281613,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",GZSOSUNBTXMUFQ-YFAPSIMESA-N
DB08996,4757-55-5,Dimetacrine,"['withdrawn', 'experimental']",5312397,N06AA18,D02565,,,,902,ZINC000001482035,CHEMBL1328913,,,135233,94280,CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12,"InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3",RYQOGSFEJBUZBX-UHFFFAOYSA-N
DB08997,21888-98-2,Dexetimide,withdrawn,,N04AA08,,3267,,,831,ZINC000006927490,CHEMBL1908364,50228206,DEXETIMIDE,135531,30843,O=C1CC[C@@](C2CCN(CC3=CC=CC=C3)CC2)(C(=O)N1)C1=CC=CC=C1,"InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1",LQQIVYSCPWCSSD-HSZRJFAPSA-N
DB08998,24701-51-7,Demexiptiline,experimental,,,,,,,804,ZINC000001542913,CHEMBL2107576,,,135152,28876,CNCCON=C1C2=CC=CC=C2C=CC2=CC=CC=C12,"InChI=1S/C18H18N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-11,19H,12-13H2,1H3",SEDQWOMFMIJKCU-UHFFFAOYSA-N
DB08999,102-45-4,Cyclopentamine,withdrawn,,R01AA02,D07370,59094,,,755,,CHEMBL329203,81456,SINOS,134766,7608,CNC(C)CC1CCCC1,"InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3",HFXKQSZZZPGLKQ-UHFFFAOYSA-N
DB09000,3546-03-0,Cyamemazine,experimental,,N05AA06,D07307,21877,,,746,,CHEMBL2104153,86057,CYAMEMAZINE,135379,62865,CC(CN(C)C)CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C#N,"InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3",SLFGIOIONGJGRT-UHFFFAOYSA-N
DB09001,4388-82-3,Barbexaclone,experimental,"['6139756', '23981808', '14968233']",N03AA04,,46795,,,,,,,,,71196,CN[C@@H](C)CC1CCCCC1.CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C12H12N2O3.C10H21N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9(11-2)8-10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);9-11H,3-8H2,1-2H3/t;9-/m.0/s1",MJCBWPMBFCUHBP-NPULLEENSA-N
DB09002,3703-76-2,Cloperastine,experimental,22324643,R05DB21,D03557,2104180,,,707,,CHEMBL415087,50237287,,94448,2805,ClC1=CC=C(C=C1)C(OCCN1CCCCC1)C1=CC=CC=C1,"InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2",FLNXBVJLPJNOSI-UHFFFAOYSA-N
DB09003,47739-98-0,Clocapramine,experimental,,,D07718,,,,687,ZINC000000608266,CHEMBL2104103,,,135778,2793,OC(=N)C1(CCN(CCCN2C3=CC=CC=C3CCC3=C2C=C(Cl)C=C3)CC1)N1CCCCC1,"InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)",QAZKXHSIKKNOHH-UHFFFAOYSA-N
DB09004,14860-49-2,Clobutinol,withdrawn,15280442,R05DB03,D07716,21247,,,686,,CHEMBL1474889,,CLOBUTINOL,94381,26937,CC(CN(C)C)C(C)(O)CC1=CC=C(Cl)C=C1,"InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3",KVHHQGIIZCJATJ-UHFFFAOYSA-N
DB09005,9039-61-6,Batroxobin,experimental,"['6672998', '21570870', '24487019', '23612970', '17287638']",B02BX03,,,,,,,,,,,,,,
DB09006,30299-08-2,Clinofibrate,experimental,,,D01300,,,,680,,CHEMBL1897738,,,31412,2787,CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O,"InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32)",BMOVQUBVGICXQN-UHFFFAOYSA-N
DB09007,77-38-3,Chlorphenoxamine,withdrawn,,"['D04AA34', 'R06AA56', 'R06AA06']",D07198,20881,,,617,,CHEMBL2110774,429534,,135288,6475,CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3",KKHPNPMTPORSQE-UHFFFAOYSA-N
DB09008,50-59-9,Cefaloridine,"['withdrawn', 'experimental']",,J01DB02,D01075,2233,,,573,,CHEMBL316157,50103624,CEFALORIDINE,3537,5773,[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C([O-])=O,"InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1",CZTQZXZIADLWOZ-CRAIPNDOSA-N
DB09009,23964-58-1,Articaine,approved,,"['N01BB08', 'N01BB58']",D07468,592464,,,3070,,CHEMBL1093,50225496,CARTICAINE,91834,32170,CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC,"InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)",QTGIAADRBBLJGA-UHFFFAOYSA-N
DB09010,61422-45-5,Carmofur,withdrawn,,L01BC04,D01784,,,,511,ZINC000001542916,CHEMBL460499,50431275,,31360,2577,CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,"InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)",AOCCBINRVIKJHY-UHFFFAOYSA-N
DB09011,501-68-8,Beclamide,experimental,"['2183543', '8583359', '1717674']",N03AX30,D07300,18846,,,291,ZINC000001694184,CHEMBL64195,,,134859,10391,ClCCC(=O)NCC1=CC=CC=C1,"InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)",JPYQFYIEOUVJDU-UHFFFAOYSA-N
DB09012,69-81-8,Carbazochrome,"['withdrawn', 'experimental']","['12928765', '12206859', '11409185', '11922398']",B02BX02,D01864,2011,,,491,,CHEMBL2051960,,ADRENOCHROME MONOSEMICARBAZONE,,,CN1CC(O)C2=C\C(=N\NC(N)=O)C(=O)C=C12,"InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-",XSXCZNVKFKNLPR-SDQBBNPISA-N
DB09013,39552-01-7,Befunolol,experimental,12480285,S01ED06,D07496,,,,295,,CHEMBL153984,,,135212,2309,CC(C)NCC(O)COC1=CC=CC2=C1OC(=C2)C(C)=O,"InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3",ZPQPDBIHYCBNIG-UHFFFAOYSA-N
DB09014,486-17-9,Captodiame,experimental,"['15383182', '14431646']",N05BB02,D07316,89812,,,483,,CHEMBL2110809,,,135521,10240,CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1,"InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3",IZLPZXSZLLELBJ-UHFFFAOYSA-N
DB09015,4138-96-9,Canrenoic acid,"['withdrawn', 'approved']",,C03DA02,,618970,,,,ZINC000003938750,CHEMBL1616951,,CANRENOATE POTASSIUM,50156,656615,[H][C@@]12CC[C@@](O)(CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,"InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25)/t16-,17+,18+,20+,21+,22-/m1/s1",PBKZPPIHUVSDNM-WNHSNXHDSA-N
DB09016,35941-65-2,Butriptyline,"['withdrawn', 'approved']",,N06AA15,D07601,19895,,,455,,,,,,,,,
DB09017,57801-81-7,Brotizolam,"['withdrawn', 'investigational']",6140948,N05CD09,D01744,19790,,,409,ZINC000002570830,CHEMBL32479,50011875,LENDORMIN,31308,2451,CC1=NN=C2CN=C(C3=C(SC(Br)=C3)N12)C1=CC=CC=C1Cl,"InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3",UMSGKTJDUHERQW-UHFFFAOYSA-N
DB09018,4093-35-0,Bromopride,investigational,,A03FA04,D07101,19768,,,406,ZINC000002038104,CHEMBL399510,50247887,BROMOPRIDE,95304,2446,CCN(CC)CCNC(=O)C1=CC(Br)=C(N)C=C1OC,"InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",GIYAQDDTCWHPPL-UHFFFAOYSA-N
DB09019,3572-43-8,Bromhexine,approved,"['33045350', '28331610', '6897618', '32360584', '581989', '20616932', '32983936', '20031363']",R05CB02,D07542,1753,,,402,ZINC000000608220,CHEMBL253376,50239965,BROMHEXINE,77032,2442,CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1,"InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3",OJGDCBLYJGHCIH-UHFFFAOYSA-N
DB09020,603-50-9,Bisacodyl,approved,"['31613513', '19678812', '9681329', '21868635', '21697613', '29441646', '3401271']","['A06AG02', 'A06AB02', 'A06AB52']",D00245,1596,,,375,ZINC000003830321,CHEMBL942,61400,BISACODYL,3125,2391,CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1,"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3",KHOITXIGCFIULA-UHFFFAOYSA-N
DB09021,17243-39-9,Benzoctamine,experimental,"['4945942', '4480288', '4479725']",N05BD01,D03089,,,,324,ZINC000001481983,CHEMBL2110603,,,135017,28425,CNCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,"InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3",GNRXCIONJWKSEA-UHFFFAOYSA-N
DB09022,23602-78-0,Benfluorex,"['withdrawn', 'investigational']","['16505498', '10432168', '11307869']",A10BX06,D07192,18880,,,307,,CHEMBL400599,,BENFLUOREX,93826,2318,CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C1=CC=CC=C1,"InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3",CJAVTWRYCDNHSM-UHFFFAOYSA-N
DB09023,302-40-9,Benactyzine,withdrawn,4891208,,D07498,1361,,,298,ZINC000001734034,CHEMBL70352,50144504,,94775,9330,CCN(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3",IVQOFBKHQCTVQV-UHFFFAOYSA-N
DB09026,173334-57-1,Aliskiren,"['approved', 'investigational']","['17510248', '17655373', '17055947', '15723979', '17956203', '19170589', '19066408', '18611061']","['C09XA53', 'C09XA54', 'C09XA52', 'C09DX02', 'C09XA02']",D03208,325646,PA143487910,C41,119,ZINC000004393164,CHEMBL1639,17950,ALISKIREN,601027,5493444,COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1,"InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1",UXOWGYHJODZGMF-QORCZRPOSA-N
DB09027,1256388-51-8,Ledipasvir,approved,"['28497432', '25674516', '25627448', '26196665', '25585348', '9305675', '25676581', '25706232']",J05AP51,D10442,1591922,PA166128166,,4899,ZINC000150338819,CHEMBL2374220,,GS-5885,85089,67505836,COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1C1=NC(=CN1)C1=CC=C2C3=CC=C(C=C3C(F)(F)C2=C1)C1=CC=C2NC(=NC2=C1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NC(=O)OC)C(C)C,"InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1",VRTWBAAJJOHBQU-KMWAZVGDSA-N
DB09028,485-35-8,Cytisine,experimental,"['11553677', '25517706', '17220536', '8874153']",N07BA04,D07770,1723152,,C5E,5217,ZINC000001599730,CHEMBL497939,,CYTISINICLINE,4055,10235,O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12,"InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1",ANJTVLIZGCUXLD-DTWKUNHWSA-N
DB09029,1229022-83-6,Secukinumab,approved,"['23361084', '26647300', '26681527', '26664127']",L04AC10,D09967,1599788,,,,,,,,,,,,
DB09030,618385-01-6,Vorapaxar,approved,"['25680760', '22077816', '20926621', '25728646']",B01AC26,D09765,1537034,,VPX,4870,ZINC000003925861,CHEMBL493982,,VORAPAXAR SULFATE,82702,10077130,[H][C@@]12C[C@]3([H])C[C@@H](CC[C@@]3([H])[C@H](\C=C\C3=CC=C(C=N3)C3=CC(F)=CC=C3)[C@]1([H])[C@@H](C)OC2=O)NC(=O)OCC,"InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1",ZBGXUVOIWDMMJE-QHNZEKIYSA-N
DB09031,58066-85-6,Miltefosine,"['approved', 'investigational']","['22833634', '16436691', '12384352', '16344287', '25601455', '18519729', '16730362']",P01CX04,D02494,1494066,,,1810,,CHEMBL125,50034220,D-18506,75283,3599,CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C,"InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3",PQLXHQMOHUQAKB-UHFFFAOYSA-N
DB09033,943609-66-3,Vedolizumab,approved,"['25552903', '19509315', '16266194', '25526490']",L04AA33,D08083,1538097,,,,,,,,,,,,
DB09034,1030377-33-3,Suvorexant,"['approved', 'investigational']","['23702225', '25291725', '24680372', '25397996', '25667197']",N05CM19,D10082,1547099,,SUV,4881,ZINC000049036447,CHEMBL1083659,50318701,MK4305,82698,24965990,[H][C@@]1(C)CCN(CCN1C(=O)C1=C(C=CC(C)=C1)N1N=CC=N1)C1=NC2=C(O1)C=CC(Cl)=C2,"InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1",JYTNQNCOQXFQPK-MRXNPFEDSA-N
DB09035,946414-94-4,Nivolumab,approved,"['28019091', '26405320', '26273207', '25798726', '29158363']",L01XC17,D10316,1597876,,,,,,,,,,,,
DB09036,541502-14-1,Siltuximab,"['approved', 'investigational']","['20179212', '25601959', '25110138']",L04AC11,D09669,1535218,,,,,,,,,,,,
DB09037,1374853-91-4,Pembrolizumab,approved,"['25034862', '26288737', '27485741', '25331768', '27822406']",L01XC18,D10574,1547545,,,,,,,,,,,,
DB09038,864070-44-0,Empagliflozin,approved,"['30132036', '24746173', '25296258', '24766495', '25805666', '24991224', '24716752', '25260362', '27618891', '25424969', '25301180', '24722494']","['A10BK03', 'A10BD20', 'A10BD19']",D10459,1545653,PA166163327,7R3,4830,ZINC000036520252,CHEMBL2107830,150162,JARDIANCE,82720,11949646,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(O[C@H]3CCOC3)C=C2)=C1,"InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1",OBWASQILIWPZMG-QZMOQZSNSA-N
DB09039,491833-29-5,Eliglustat,approved,"['25239269', '17509920']",A16AX10,D09893,1547220,PA166123486,,4834,ZINC000072267023,CHEMBL2110588,,GENZ-99067,82752,23652731,CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC=C2OCCOC2=C1,"InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1",FJZZPCZKBUKGGU-AUSIDOKSSA-N
DB09040,164650-44-6,Efinaconazole,approved,24249649,D01AC19,D10021,1539753,,,4874,ZINC000000006251,CHEMBL2103877,,KP-103,82718,489181,C[C@@H](N1CCC(=C)CC1)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,"InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1",NFEZZTICAUWDHU-RDTXWAMCSA-N
DB09041,174671-46-6,Tavaborole,"['approved', 'investigational']","['25226015', '25118637']",D01AE24,D10169,1543173,,,4877,ZINC000169990691,CHEMBL443052,50370987,AN-2690,77942,11499245,OB1OCC2=CC(F)=CC=C12,"InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2",LFQDNHWZDQTITF-UHFFFAOYSA-N
DB09042,856867-55-5,Tedizolid phosphate,approved,"['24875463', '16723564', '32059790', '29063519', '31426596', '18757750', '27117863', '22584101', '9333037', '22330925', '22208312', '23926058', '17499045', '24989138']",,D09686,1540824,,,4873,ZINC000043100953,CHEMBL2105669,50017198,SIVEXTRO,83326,11476460,CN1N=NC(=N1)C1=CC=C(C=N1)C1=CC=C(C=C1F)N1C[C@H](COP(O)(O)=O)OC1=O,"InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28/h2-7,12H,8-9H2,1H3,(H2,26,27,28)/t12-/m1/s1",QCGUSIANLFXSGE-GFCCVEGCSA-N
DB09043,782500-75-8,Albiglutide,approved,25136065,A10BJ04,D08843,1534763,,,4927,,,,,,,,,
DB09045,923950-08-7,Dulaglutide,"['approved', 'investigational']","['25367716', '26507721', '27313432', '27330280', '26423061', '24373234']",A10BJ05,D09889,1551291,,,,,,,,,,,,
DB09046,186018-45-1,Metreleptin,approved,"['25249580', '25267014', '25465598', '25279500', '25156686']",A16AA07,D05014,1491625,,,,,,,,,,,,
DB09047,209342-40-5,Finafloxacin,"['approved', 'investigational']",25808831,,D10575,1598641,,,4920,ZINC000003985346,CHEMBL1908370,,XTORO,85176,11567473,[H][C@]12CN(C[C@]1([H])OCCN2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1C#N)C(O)=O,"InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1",FYMHQCNFKNMJAV-HOTGVXAUSA-N
DB09048,290297-26-6,Netupitant,"['approved', 'investigational']",25687374,,D10572,1552337,,GAW,4898,ZINC000011681563,CHEMBL206253,50178574,RO-673189000,85155,6451149,CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CCN(C)CC1,"InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3",WAXQNWCZJDTGBU-UHFFFAOYSA-N
DB09049,854601-70-0,Naloxegol,approved,"['26312011', '25471070', '26150678']",A06AH03,D10479,1551777,,,4832,ZINC000095564694,CHEMBL2219418,,NKTR-118,82975,56959087,COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC=C)[C@H]1O5,"InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1",XNKCCCKFOQNXKV-ZRSCBOBOSA-N
DB09050,689293-68-3,Ceftolozane,"['approved', 'investigational']","['25516692', '29493397', '24352909', '22450972', '24348053', '29039729', '23346860', '26637512', '20547785']",,D10097,1597609,,,4922,,CHEMBL2103872,,CEFTOLOZANE SULFATE,134719,71457955,CN1C(N)=C(NC(=O)NCCN)C=[N+]1CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=NSC(N)=N1)C2=O)C([O-])=O,"InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1",JHFNIHVVXRKLEF-DCZLAGFPSA-N
DB09051,9025-60-9,Elosulfase alfa,"['approved', 'investigational']",24700469,A16AB12,D10333,1489914,,,,,,,,,,,,
DB09052,853426-35-4,Blinatumomab,"['approved', 'investigational']","['25359367', '25883042']",L01XC19,D09325,1597258,,,,,,,,,,,,
DB09053,936563-96-1,Ibrutinib,approved,"['25802231', '26648658', '26111359', '23045577', '23782158', '24941982', '23188619', '25892147', '23782157', '25488930']",L01XE27,D10223,1442981,PA166121346,1E8,4810,ZINC000035328014,CHEMBL1873475,50357312,CRA-032765,76612,24821094,NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1",XYFPWWZEPKGCCK-GOSISDBHSA-N
DB09054,870281-82-6,Idelalisib,approved,"['24615776', '24376763', '24615777', '25760671']",L01XX47,D10560,1544460,,40L,4878,ZINC000013986658,CHEMBL2216870,150175,GS-1101,82701,11625818,[H][C@@](CC)(NC1=NC=NC2=C1N=CN2)C1=NC2=CC=CC(F)=C2C(=O)N1C1=CC=CC=C1,"InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1",IFSDAJWBUCMOAH-HNNXBMFYSA-N
DB09055,51037-30-0,Acipimox,"['approved', 'investigational']",,C10AD06,D07190,16817,,,76,ZINC000001481960,CHEMBL345714,50208130,OLBETAM,94688,5310993,CC1=[N+]([O-])C=C(N=C1)C(O)=O,"InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)",DJQOOSBJCLSSEY-UHFFFAOYSA-N
DB09056,78613-35-1,Amorolfine,"['approved', 'investigational']",,D01AE16,,17804,,,188,,CHEMBL489411,,AMOROLFINE,599440,54260,[H]C(C)(CN1C[C@]([H])(C)O[C@]([H])(C)C1)CC1=CC=C(C=C1)C(C)(C)CC,"InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+",MQHLMHIZUIDKOO-AYHJJNSGSA-N
DB09057,,Anthrax immune globulin human,approved,23979731,,,1722335,,,,,,,,,,,,
DB09059,90779-69-4,Atosiban,"['approved', 'investigational']","['26586210', '12763125', '15705593', '8952002']",G02CX01,D03008,59639,,,3008,ZINC000169362009,CHEMBL382301,50177595,RWJ 22164,135899,5311010,[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@@H](CC2=CC=C(OCC)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O,"InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1",VWXRQYYUEIYXCZ-OBIMUBPZSA-N
DB09060,1192500-31-4,Avibactam,approved,"['22041508', '23913691', '25223999', '19493866', '22753474', '26516584', '26666933']",,,1603834,,FYG,4946,ZINC000009302239,CHEMBL1689063,50339145,NXL104,85984,9835049,NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O,"InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1",NDCUAPJVLWFHHB-UHNVWZDZSA-N
DB09061,13956-29-1,Cannabidiol,"['approved', 'investigational']","['28861484', '17828291', '31433338', '29307505', '26264914', '29533978', '20160007', '15588936', '23811569', '26015168', '16199061', '27086601', '28680405', '23408483', '24160757', '26218440', '24281562']",N03AX24,,2045371,,P0T,5288,ZINC000004097406,CHEMBL190461,50318484,CANNABIDIOL,69478,644019,CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1,"InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1",QHMBSVQNZZTUGM-ZWKOTPCHSA-N
DB09062,84305-41-9,Cefminox,experimental,,J01DC12,D07642,,,,540,ZINC000003938624,CHEMBL1276342,,,135817,71141,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSC[C@@H](N)C(O)=O)OC)C(O)=O,"InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/t8-,14-,16+/m1/s1",JSDXOWVAHXDYCU-VXSYNFHWSA-N
DB09063,1032900-25-6,Ceritinib,approved,"['25971657', '23742252', '24670165', '17185414', '26020125']",L01XE28,D10551,1535457,,4MK,4866,ZINC000096272772,CHEMBL2403108,50436850,LDK-378,78432,57379345,CC(C)OC1=C(NC2=NC=C(Cl)C(N2)=NC2=CC=CC=C2S(=O)(=O)C(C)C)C=C(C)C(=C1)C1CCNCC1,"InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)",VERWOWGGCGHDQE-UHFFFAOYSA-N
DB09064,52214-84-3,Ciprofibrate,"['approved', 'investigational']",,C10AB08,D03521,21149,,,658,,CHEMBL557555,50371235,CIPROFIBRATE,50867,2763,CC(C)(OC1=CC=C(C=C1)C1CC1(Cl)Cl)C(O)=O,"InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)",KPSRODZRAIWAKH-UHFFFAOYSA-N
DB09065,1004316-88-4,Cobicistat,approved,"['25164142', '20043009', '22850510', '20683270']","['J05AR22', 'J05AR14', 'J05AR09', 'J05AR15', 'V03AX03', 'J05AR18']",D09881,1306284,PA166165092,,4299,ZINC000085537014,CHEMBL2095208,50447471,GS-9350,72291,25151504,CC(C)C1=NC(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC2=CN=CS2)CC2=CC=CC=C2)=CS1,"InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1",ZCIGNRJZKPOIKD-CQXVEOKZSA-N
DB09066,195962-23-3,Corifollitropin alfa,"['approved', 'investigational']","['28368800', '19337959', '20110752', '21850281']",G03GA09,,,,,,,,,,,,,,
DB09067,121249-14-7,Corticorelin ovine triflutate,approved,,,D03592,74671,,,,,,,,,,CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O,"InChI=1S/C205H339N59O63S/c1-30-104(21)159(198(322)225-106(23)163(214)287)259-193(317)142(87-157(285)286)253-184(308)132(77-99(11)12)246-182(306)130(75-97(7)8)244-172(296)117(46-36-38-67-207)231-170(294)118(47-39-68-221-204(215)216)233-189(313)139(84-151(213)274)251-194(318)143(91-266)256-188(312)137(82-113-88-219-93-223-113)241-165(289)108(25)227-169(293)120(51-58-147(209)270)234-173(297)121(52-59-148(210)271)229-164(288)107(24)228-179(303)128(73-95(3)4)243-176(300)123(54-61-150(212)273)236-190(314)140(85-155(281)282)242-166(290)109(26)226-168(292)116(45-35-37-66-206)239-200(324)161(110(27)268)261-178(302)126(65-72-328-29)238-174(298)124(55-62-152(275)276)237-181(305)134(79-101(15)16)254-197(321)158(103(19)20)258-177(301)125(56-63-153(277)278)235-171(295)119(48-40-69-222-205(217)218)232-180(304)129(74-96(5)6)245-183(307)131(76-98(9)10)247-187(311)138(83-114-89-220-94-224-114)250-186(310)136(81-112-43-33-32-34-44-112)255-201(325)162(111(28)269)262-192(316)135(80-102(17)18)248-191(315)141(86-156(283)284)252-185(309)133(78-100(13)14)249-195(319)144(92-267)257-199(323)160(105(22)31-2)260-196(320)145-49-41-70-263(145)203(327)146-50-42-71-264(146)202(326)127(57-64-154(279)280)240-175(299)122(53-60-149(211)272)230-167(291)115(208)90-265/h32-34,43-44,88-89,93-111,115-146,158-162,265-269H,30-31,35-42,45-87,90-92,206-208H2,1-29H3,(H2,209,270)(H2,210,271)(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,287)(H,219,223)(H,220,224)(H,225,322)(H,226,292)(H,227,293)(H,228,303)(H,229,288)(H,230,291)(H,231,294)(H,232,304)(H,233,313)(H,234,297)(H,235,295)(H,236,314)(H,237,305)(H,238,298)(H,239,324)(H,240,299)(H,241,289)(H,242,290)(H,243,300)(H,244,296)(H,245,307)(H,246,306)(H,247,311)(H,248,315)(H,249,319)(H,250,310)(H,251,318)(H,252,309)(H,253,308)(H,254,321)(H,255,325)(H,256,312)(H,257,323)(H,258,301)(H,259,317)(H,260,320)(H,261,302)(H,262,316)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H4,215,216,221)(H4,217,218,222)/t104-,105-,106-,107-,108-,109-,110+,111+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,158-,159-,160-,161-,162-/m0/s1",QEEJLLNYQOBRRM-KSHGRFHLSA-N
DB09068,508233-74-7,Vortioxetine,"['approved', 'investigational']","['23380522', '22496396', '23428337', '21486038']",N06AX26,D10184,1455099,PA166122595,,4806,ZINC000034051848,CHEMBL2104993,50400902,VORTIOXETINE HYDROBROMIDE,76016,9966051,CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1,"InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3",YQNWZWMKLDQSAC-UHFFFAOYSA-N
DB09069,5011-34-7,Trimetazidine,"['approved', 'investigational']","['12698499', '4864732', '10350001', '4970482', '10720420', '8868005', '25440662', '12869391']",C01EB15,D01606,10826,,,2750,ZINC000019358638,CHEMBL203266,80613,DILATAN,94789,21109,COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1,"InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3",UHWVSEOVJBQKBE-UHFFFAOYSA-N
DB09070,5630-53-5,Tibolone,"['approved', 'investigational']","['16339391', '17614936', '15337246']",G03CX01,D01639,38260,,,2655,ZINC000003812889,CHEMBL2103774,,ORG OD 14,32223,444008,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC(=O)CC3)C[C@@]([H])(C)[C@@]21[H],"InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1",WZDGZWOAQTVYBX-XOINTXKNSA-N
DB09071,609799-22-6,Tasimelteon,"['approved', 'investigational']","['25685859', '25422900', '12661062', '25534555']",N05CH03,D09388,1490468,,,4820,ZINC000004392649,CHEMBL2103822,,BMS-214778,79042,10220503,CCC(=O)NC[C@@H]1C[C@H]1C1=CC=CC2=C1CCO2,"InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1",PTOIAAWZLUQTIO-GXFFZTMASA-N
DB09072,502-85-2,Sodium oxybate,approved,"['15538955', '16507620']","['N07XX04', 'N01AX11']",,9899,,,,,CHEMBL1200682,,,,23663870,[Na+].OCCCC([O-])=O,"InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1",XYGBKMMCQDZQOZ-UHFFFAOYSA-M
DB09073,571190-30-2,Palbociclib,"['approved', 'investigational']","['26324739', '28680952', '28203301', '25177151', '27493617', '28752187']",L01XE33,D10372,1601374,PA166153469,LQQ,4941,ZINC000003938686,CHEMBL189963,6309,PALBOCICLIB ISETHIONATE,85993,5330286,CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O,"InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)",AHJRHEGDXFFMBM-UHFFFAOYSA-N
DB09074,763113-22-0,Olaparib,approved,"['18800822', '18971340', '19383921', '26405320', '25899311', '24970386']",L01XX46,D09730,1597582,,09L,4907,ZINC000040430143,CHEMBL521686,27566,KU-0059436,83766,23725625,FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1CC1,"InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)",FDLYAMZZIXQODN-UHFFFAOYSA-N
DB09075,480449-70-5,Edoxaban,approved,"['18096568', '25682085', '20081065', '25792448', '26620048']",B01AF03,D09546,1599538,PA166128806,,4897,ZINC000043200832,CHEMBL1269025,50328731,DU-176,85973,10280735,CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C1=NC2=C(CN(C)CC2)S1,"InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1",HGVDHZBSSITLCT-JLJPHGGASA-N
DB09076,869185-19-3,Umeclidinium,approved,"['23276660', '24532124', '23435542', '23026438', '24756395', '24004659', '23949963']","['R03AL08', 'R03BB07', 'R03AL03']",D10180,1487514,,,,ZINC000034608502,CHEMBL1187833,50267614,UMECLIDINIUM,,11519070,OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2,"InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1",FVTWTVQXNAJTQP-UHFFFAOYSA-N
DB09077,1363687-32-4,Dinutuximab,"['approved', 'investigational']","['1988079', '15923178', '24295643', '25940913']",L01XC16,D10559,1606274,,,,,,,,,,,,
DB09078,417716-92-8,Lenvatinib,"['approved', 'investigational']","['25707627', '25795101', '17943726', '21781317']",L01XE29,D09919,1603296,PA166153472,LEV,4942,ZINC000003816292,CHEMBL1289601,50331094,E-7080 MESYLATE,85994,9823820,COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O,"InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)",WOSKHXYHFSIKNG-UHFFFAOYSA-N
DB09079,656247-17-5,Nintedanib,approved,"['28365056', '21204634', '28598023', '25862013', '31016670', '18559524', '26063212']",L01XE31,D10481,1592737,,XIN,4903,ZINC000100014909,CHEMBL502835,50026612,INTEDANIB,85164,,COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1,"InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-",XZXHXSATPCNXJR-ZIADKAODSA-N
DB09080,868049-49-4,Olodaterol,approved,"['24158691', '20096576', '20371707', '25045258', '25773742']","['R03AC19', 'R03AL06']",D10145,1546059,,,4814,ZINC000034636383,CHEMBL605846,,STRIVERDI RESPIMAT,82700,11504295,COC1=CC=C(CC(C)(C)NC[C@H](O)C2=C3OCC(=O)NC3=CC(O)=C2)C=C1,"InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1",COUYJEVMBVSIHV-SFHVURJKSA-N
DB09081,58186-27-9,Idebenone,"['approved', 'investigational']","['15374467', '19125241', '7981485']",N06BX13,D01750,51296,,,1416,ZINC000001542890,CHEMBL252556,50505498,IDEBENONE,31687,3686,COC1=C(OC)C(=O)C(CCCCCCCCCCCCO)=C(C)C1=O,"InChI=1S/C21H34O5/c1-16-17(19(24)21(26-3)20(25-2)18(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,4-15H2,1-3H3",VMHWZDULLBLUMS-UHFFFAOYSA-N
DB09082,503068-34-6,Vilanterol,approved,"['23043183', '25848294']","['R03AL08', 'R03AL03', 'R03AK10']",D09696,1424884,,,4799,ZINC000003991624,CHEMBL1198857,50416060,GW642444,75037,10184665,OCC1=C(O)C=CC(=C1)[C@@H](O)CNCCCCCCOCCOCC1=C(Cl)C=CC=C1Cl,"InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1",DAFYYTQWSAWIGS-DEOSSOPVSA-N
DB09083,155974-00-8,Ivabradine,approved,"['24377458', '20167941', '16451297', '25839989', '15301560']","['C07FX05', 'C07FX06', 'C01EB17']",D07165,1649480,PA166123415,,3312,ZINC000003805768,CHEMBL471737,50326992,S-16257,85966,132999,COC1=C(OC)C=C2[C@@H](CN(C)CCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1,"InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1",ACRHBAYQBXXRTO-OAQYLSRUSA-N
DB09084,642-72-8,Benzydamine,approved,"['17694367', '1932611', '6031923', '6014929']","['R02AX03', 'G02CC03', 'M01AX07', 'A01AD02', 'M02AA05']",,1425,,,3881,ZINC000002020083,CHEMBL12610,50095471,BENZYDAMINE,94563,12555,CN(C)CCCOC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3",CNBGNNVCVSKAQZ-UHFFFAOYSA-N
DB09085,94-24-6,Tetracaine,"['vet_approved', 'approved']",,"['C05AD02', 'N01BA53', 'S01HA03', 'N01BA03', 'D04AB06']",D00551,10391,PA451638,TE4,2610,ZINC000001530811,CHEMBL698,50017659,TETRACAINE HYDROCHLORIDE,9468,5411,CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C,"InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3",GKCBAIGFKIBETG-UHFFFAOYSA-N
DB09086,97-53-0,Eugenol,approved,"['27355133', '21547684', '22775297']",,,4186,,EOL,4648,ZINC000000001411,CHEMBL42710,50164168,EUGENOL,4917,3314,COC1=C(O)C=CC(CC=C)=C1,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",RRAFCDWBNXTKKO-UHFFFAOYSA-N
DB09087,10043-67-1,Potassium alum,approved,"['740662', '712205', '4194940']",,,54989,,,,,,,,86463,23683742,[Al+3].[K+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",GRLPQNLYRHEGIJ-UHFFFAOYSA-J
DB09088,644-26-8,Amylocaine,"['withdrawn', 'approved']","['2157353', '20771971']",,D07454,40660,,,206,,CHEMBL1740065,,,34981,10767,CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1,"InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3",FDMBBCOBEAVDAO-UHFFFAOYSA-N
DB09089,39133-31-8,Trimebutine,approved,"['2571489', '9364286', '26424038', '8389715', '8220900', '21725819', '21725804']",A03AA05,,10819,,,2748,,CHEMBL190044,83417,TRIMEBUTINA,94458,5573,CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1,"InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3",LORDFXWUHHSAQU-UHFFFAOYSA-N
DB09090,59995-65-2,Pinaverium,approved,"['8600700', '7197953', '25632806', '4052731', '19416978', '2177709', '1313732', '8201843']",A03AX04,,33724,,,2174,,CHEMBL1909324,50101975,PINAVERIUM BROMIDE,135811,40704,COC1=C(OC)C=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C(Br)=C1,"InChI=1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1",DDHUTBKXLWCZCO-UHFFFAOYSA-N
DB09091,61951-99-3,Tixocortol,"['withdrawn', 'approved']","['6492803', '3500591', '7700614', '2043986', '8977714', '2893715', '6784735']","['A07EA05', 'R01AD07', 'R01AD57']",,57257,,,,ZINC000005138848,,,,63560,162955,[H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",YWDBSCORAARPPF-VWUMJDOOSA-N
DB09092,2530-97-4,Xanthinol,"['withdrawn', 'approved']","['18718822', '1036921', '3936095']",C04AD02,,89795,,,,,CHEMBL1624126,,,94314,9913,CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3",DSFGXPJYDCSWTA-UHFFFAOYSA-N
DB09093,57-62-5,Chlortetracycline,"['vet_approved', 'approved', 'investigational']",16816396,"['J01AA20', 'S01AA02', 'J01AA03', 'D06AA02', 'A01AB21']",D07689,2408,,CTC,624,ZINC000019701769,CHEMBL404520,,CHLORTETRACYCLINE,27644,,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1",CYDMQBQPVICBEU-XRNKAMNCSA-N
DB09094,9000-55-9,Podophyllin,approved,,,,8462,,,,,,,,,11979494,COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(O)C2=CC3=C(OCO3)C=C12.COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(O)C2=CC3=C(OCO3)C=C12.COC1=CC(=CC(OC)=C1OC)C1C(C(CO)C(O)C2=CC3=C(OCO3)C=C12)C(O)=O.COC1=CC(=CC(OC)=C1OC)C1C(C(CO)C(O)C2=CC3=C(OCO3)C=C12)C(O)=O,"InChI=1S/2C22H24O9.2C22H22O8/c2*1-27-16-4-10(5-17(28-2)21(16)29-3)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(25)26;2*1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h2*4-7,13,18-20,23-24H,8-9H2,1-3H3,(H,25,26);2*4-7,13,18-20,23H,8-9H2,1-3H3",KOUZYZCESNTXJO-UHFFFAOYSA-N
DB09095,2607-06-9,Difluocortolone,"['withdrawn', 'approved', 'investigational']","['23213332', '1036944']","['D07AC06', 'D07BC04', 'D07XC04']",,3392,,,3141,ZINC000004212939,CHEMBL509924,,DIFLUCORTOLONE,135624,11954369,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1",OGPWIDANBSLJPC-RFPWEZLHSA-N
DB09096,94-36-0,Benzoyl peroxide,approved,"['1782351', '33508886', '30725905', '10670502', '32765835', '7204686']","['D10AE51', 'D10AE01']",D03093,1418,,,328,ZINC000000001016,CHEMBL1200370,,BENZOYL PEROXIDE,82405,7187,O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,OMPJBNCRMGITSC-UHFFFAOYSA-N
DB09097,87056-78-8,Quinagolide,"['approved', 'investigational']","['10931080', '16452531', '11788012', '20139430']",G02CB04,,76887,,,2339,ZINC000003778441,CHEMBL290962,50225362,,135627,3086401,[H][C@]12C[C@@H](CN(CCC)[C@]1([H])CC1=CC=CC(O)=C1C2)NS(=O)(=O)N(CC)CC,"InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1",GDFGTRDCCWFXTG-ZIFCJYIRSA-N
DB09098,82030-87-3,Somatrem,"['withdrawn', 'approved', 'investigational']",15127004,H01AC02,D05884,56570,,,,,,,,,,,,
DB09099,38916-34-6,Somatostatin,"['approved', 'investigational']","['12639942', '10433861', '1385068', '1355590', '1356016', '25956467', '12431842', '11207395']",H01CB01,D07431,9939,,,2997,,CHEMBL1823872,81767,SOMATOSTATIN,64628,16129706,C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O,"InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1",NHXLMOGPVYXJNR-ATOGVRKGSA-N
DB09100,,"Thyroid, porcine",approved,"['11117200', '10845098', '31440205', '20753415', '25905401', '31364488', '31321670', '30349610', '31354624']",,,235479,,,,,,,,,,,,
DB09101,697761-98-1,Elvitegravir,approved,"['15729361', '23028968', '20040702', '21044030', '21505303', '22789987', '10649997', '22347806', '22321026']","['J05AR18', 'J05AR09', 'J05AX11']",,1306286,,ELV,4300,ZINC000013682481,CHEMBL204656,50183273,GS-9137,72289,5277135,[H][C@@](CO)(C(C)C)N1C=C(C(O)=O)C(=O)C2=C1C=C(OC)C(CC1=C(F)C(Cl)=CC=C1)=C2,"InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1",JUZYLCPPVHEVSV-LJQANCHMSA-N
DB09102,1009119-64-5,Daclatasvir,"['approved', 'investigational']","['23431163', '26486762', '25585348', '24204123', '27029743', '25046163', '24521299']","['J05AP58', 'J05AP07']",D10105,1606218,PA166128167,,4875,ZINC000068204830,CHEMBL2023898,50387084,BMS 790052,82977,25154714,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C,"InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1",FKRSSPOQAMALKA-CUPIEXAXSA-N
DB09103,163545-26-4,Ancestim,"['withdrawn', 'approved', 'investigational']",15526160,L03AA12,,140502,,,,,,,,,,,,
DB09104,1309-42-8,Magnesium hydroxide,"['approved', 'investigational']",,"['G04BX01', 'A02AA04']",,6581,,,4244,,CHEMBL1200718,,,6637,73981,[OH-].[OH-].[Mg++],InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2,VTHJTEIRLNZDEV-UHFFFAOYSA-L
DB09105,1174277-80-5,Asfotase alfa,"['approved', 'investigational']","['26893260', '22397652', '26529632']",A16AB13,D10595,1720259,,,,,,,,,,,,
DB09106,9005-27-0,Hydroxyethyl Starch,approved,23881659,B05AA07,D03335,5531,,,,,,,,,,,,
DB09107,677324-53-7,Methoxy polyethylene glycol-epoetin beta,approved,15358619,B03XA03,,729596,,,,,,,,,,,,
DB09108,1219013-68-9,Simoctocog alfa,approved,28670147,,,1729084,,,,,,,,,,,,
DB09109,1192451-26-5,Turoctocog alfa,"['approved', 'investigational']","['22812621', '29261993', '25848213', '26761578', '24797664']",,,1737557,,,,,,,,,,,,
DB09110,3375-50-6,Coenzyme M,"['approved', 'investigational']","['27566144', '21505084']","['V03AF01', 'R05CB05']",,1546354,,COM,1711,ZINC000003831040,CHEMBL1098319,,D 7093,17905,598,OS(=O)(=O)CCS,"InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)",ZNEWHQLOPFWXOF-UHFFFAOYSA-N
DB09111,9005-27-0,Pentastarch,"['approved', 'investigational']",9465753,,,816249,,,,,,,,,,,,
DB09112,7782-77-6,Nitrous acid,"['approved', 'investigational']","['1569239', '18167491', '10320667', '10024740', '25421879', '25803049']",V03AB08,,,PA166115361,,,,CHEMBL1161681,50147619,SODIUM NITRITE,25567,24529,ON=O,"InChI=1S/HNO2/c2-1-3/h(H,2,3)",IOVCWXUNBOPUCH-UHFFFAOYSA-N
DB09113,129069-19-8,Poractant alfa,approved,"['25683992', '8002555', '7527760', '19822594', '17480144', '9150335', '19956811', '26690260', '1727997', '15085492', '16188788', '9727777', '25583659']",,D08402,236381,,,,,,,,,,,,
DB09114,63-89-8,Colfosceril palmitate,"['withdrawn', 'approved', 'investigational']","['2670398', '10155285', '8131363']",R07AA01,,69782,,PCF,730,,CHEMBL1200737,,COLFOSCERIL PALMITATE,72999,452110,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1",KILNVBDSWZSGLL-KXQOOQHDSA-N
DB09115,83-73-8,Diiodohydroxyquinoline,approved,,G01AC01,D00581,3435,,,1457,ZINC000003830942,CHEMBL86754,66035,,5950,3728,OC1=C2N=CC=CC2=C(I)C=C1I,"InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",UXZFQZANDVDGMM-UHFFFAOYSA-N
DB09116,156-62-7,Calcium carbimide,"['withdrawn', 'approved']","['4888318', '13316670', '10826131', '3358883', '3426682']",N07BB02,D03288,1902,,,,,CHEMBL3301667,,,64301,56955933,[Ca++].[N-]=C=[N-],InChI=1S/CN2.Ca/c2-1-3;/q-2;+2,MYFXBBAEXORJNB-UHFFFAOYSA-N
DB09117,123-63-7,Paraldehyde,"['approved', 'investigational']","['18568113', '1783744', '19357123', '13329331']",N05CC05,,7909,,,2058,ZINC000000001886,CHEMBL1410743,,PARAL,27909,31264,CC1OC(C)OC(C)O1,"InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",SQYNKIJPMDEDEG-UHFFFAOYSA-N
DB09118,49763-96-4,Stiripentol,approved,"['15886413', '25792327', '16650136', '24001087']",N03AX17,,2054968,,,2480,,CHEMBL1983350,50504273,DIACOMIT,,5311454,CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1,"InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+",IBLNKMRFIPWSOY-FNORWQNLSA-N
DB09119,236395-14-5,Eslicarbazepine acetate,approved,"['24908564', '25709402', '26038700', '25880756', '25230222', '24368131', '20043029', '25528898', '22612290', '26465930', '26136845', '25740561']",,D09612,1482501,,,4303,ZINC000000007295,CHEMBL87992,50240669,ESLICARBAZEPINE ACETATE,87016,179344,CC(=O)O[C@H]1CC2=CC=CC=C2N(C(N)=O)C2=CC=CC=C12,"InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1",QIALRBLEEWJACW-INIZCTEOSA-N
DB09120,25775-90-0,Zucapsaicin,"['approved', 'investigational']","['20693293', '25171227', '21204507', '19821411']",M02AB02,,,,,4342,ZINC000004468952,CHEMBL313971,50519720,ZUCAPSAICIN,135952,1548942,COC1=C(O)C=CC(CNC(=O)CCCC\C=C/C(C)C)=C1,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-",YKPUWZUDDOIDPM-VURMDHGXSA-N
DB09121,12192-57-3,Aurothioglucose,"['withdrawn', 'approved']","['25048575', '11749494']",M01CB04,D00991,4980,,,,,,496688,,2930,6916934,OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1",XHVAWZZCDCWGBK-WYRLRVFGSA-M
DB09122,1211327-92-2,Peginterferon beta-1a,approved,"['17562848', '26036950', '27348209', '28638705', '25265472', '16204396', '25666445', '2441659', '28367411', '26195056']",L03AB13,D10483,1546168,,,,,,,,,,,,
DB09123,65928-58-7,Dienogest,approved,"['23113924', '21792339', '26327902']","['G03AB08', 'G03DB08', 'G03FA15', 'G03AA16']",,22968,,,871,ZINC000004215629,CHEMBL1201864,,DIENOGEST,70708,68861,[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1",AZFLJNIPTRTECV-FUMNGEBKSA-N
DB09124,977-79-7,Medrogestone,"['withdrawn', 'approved']",4288903,"['G03FB07', 'G03DB03']",,6690,,,1657,ZINC000004216820,CHEMBL2106825,,,135446,9949848,[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,"InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1",HCFSGRMEEXUOSS-JXEXPEPMSA-N
DB09125,866-84-2,Potassium citrate,"['vet_approved', 'approved', 'investigational']",,A12BA02,,54993,,,,,CHEMBL1200458,,POTASSIUM CITRATE,64733,13344,[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",QEEAPRPFLLJWCF-UHFFFAOYSA-K
DB09126,9002-61-3,Chorionic Gonadotropin (Human),"['vet_approved', 'approved']",,G03GA01,D06457,340705,,,,,,,,,,,,
DB09128,913611-97-9,Brexpiprazole,"['approved', 'investigational']","['26310190', '26250067', '26402059']",N05AX16,D10309,1658314,PA166160053,,5014,ZINC000084758479,CHEMBL2105760,194780,REXULTI,134716,11978813,O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1,"InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)",ZKIAIYBUSXZPLP-UHFFFAOYSA-N
DB09129,10025-73-7,Chromic chloride,approved,,,,21009,,,5118,,,,,53351,6452300,[Cl-].[Cl-].[Cl-].[Cr+3],InChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3,QSWDMMVNRMROPK-UHFFFAOYSA-K
DB09130,7440-50-8,Copper,"['approved', 'investigational']","['19906252', '27049134', '14652164', '17531610']",,,2837,PA449114,,,,,,,30052,23978,[Cu],InChI=1S/Cu,RYGMFSIKBFXOCR-UHFFFAOYSA-N
DB09131,7447-39-4,Cupric Chloride,"['approved', 'investigational']",,,,150596,,CUL,4530,,,,,49553,24014,Cl[Cu]Cl,InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2,ORTQZVOHEJQUHG-UHFFFAOYSA-L
DB09132,72573-82-1,Gadoteric acid,approved,,V08CA02,D08007,,,,,,,,,73732,71464587,[Gd+3].OC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1,"InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3",GFSTXYOTEVLASN-UHFFFAOYSA-K
DB09133,2276-90-6,Iothalamic acid,approved,,V08AA04,D01258,1546451,,,1469,ZINC000003830961,CHEMBL1201300,,IOTALAMATE MEGLUMINE,31713,3737,CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,"InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)",UXIGWFXRQKWHHA-UHFFFAOYSA-N
DB09134,87771-40-2,Ioversol,approved,2247350,V08AB07,D01555,27792,,,1471,,CHEMBL1200614,,IOVERSOL,31717,3741,OCCN(C(=O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,"InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)",AMDBBAQNWSUWGN-UHFFFAOYSA-N
DB09135,107793-72-6,Ioxilan,approved,,V08AB12,D02161,27793,,,1473,,CHEMBL1201075,,,135884,3743,CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCCO)=C1I,"InChI=1S/C18H24I3N3O8/c1-8(28)24(5-10(30)7-27)16-14(20)11(17(31)22-2-3-25)13(19)12(15(16)21)18(32)23-4-9(29)6-26/h9-10,25-27,29-30H,2-7H2,1H3,(H,22,31)(H,23,32)",UUMLTINZBQPNGF-UHFFFAOYSA-N
DB09136,748080-29-7,Isosulfan blue,approved,"['16597088', '11020754', '6983249', '15374553', '973698']",,,1546453,,,,ZINC000003873832,,,,,4695,CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=CC(=CC=C1S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1",YFKDCGWIINMRQY-UHFFFAOYSA-O
DB09137,1415247-71-0,Technetium Tc-99m mebrofenin,approved,"['21163547', '2184521']",V09DA04,D06037,,,,,,,,,,,[Tc].CC1=CC(C)=C(Br)C(C)=C1NC(=O)CN(CC(O)=O)CC(O)=O,"InChI=1S/C15H19BrN2O5.Tc/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23;/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23);",JLJSYHOPCNWUNE-UHFFFAOYSA-N
DB09138,121524-79-6,Technetium Tc-99m medronate,approved,"['26318916', '17496004', '27331206']",V09BA02,D02029,1488818,,,,,,,,,131704315,O.O.[98Tc+4].[O-]P([O-])(=O)CP([O-])([O-])=O,"InChI=1S/CH6O6P2.2H2O.Tc/c2-8(3,4)1-9(5,6)7;;;/h1H2,(H2,2,3,4)(H2,5,6,7);2*1H2;/q;;;+4/p-4/i;;;1+1",IUPNVOAUFBLQME-SGNQUONSSA-J
DB09139,72945-61-0,Technetium Tc-99m oxidronate,approved,,V09BA01,D06041,,,,,,,,,,123801,[99Tc].OC(P(O)(O)=O)P(O)(O)=O,"InChI=1S/CH6O7P2.Tc/c2-1(9(3,4)5)10(6,7)8;/h1-2H,(H2,3,4,5)(H2,6,7,8);/i;1+2",SIJNDWFHVBDXDY-NLQOEHMXSA-N
DB09140,7782-44-7,Oxygen,"['vet_approved', 'approved']","['25206416', '10846047', '26764048', '22146102', '24642336']",V03AN01,D00003,7806,PA450744,OXY,4235,,CHEMBL1234886,,OXYGEN,15379,977,O=O,InChI=1S/O2/c1-2,MYMOFIZGZYHOMD-UHFFFAOYSA-N
DB09141,9009-65-8,Protamine sulfate,approved,"['27223896', '12440613', '8268631', '24019031']",,D02224,8825,,,,,,,,,,,,
DB09142,25126-32-3,Sincalide,approved,,V04CC03,D05845,9800,,,4627,,CHEMBL1121,21147,KINEVAC,135946,9833444,CSCC[C@H](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1",IZTQOLKUZKXIRV-YRVFCXMDSA-N
DB09143,956697-53-3,Sonidegib,"['approved', 'investigational']","['26323341', '24817600']",L01XX48,D10119,1659191,,,5008,ZINC000068202099,CHEMBL2105737,50394562,ODOMZO,90863,24775005,[H][C@]1(C)CN(C[C@@]([H])(C)O1)C1=CC=C(NC(=O)C2=CC=CC(=C2C)C2=CC=C(OC(F)(F)F)C=C2)C=N1,"InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+",VZZJRYRQSPEMTK-CALCHBBNSA-N
DB09144,4105-38-8,Uridine triacetate,"['approved', 'investigational']","['21930638', '14642447', '16187114', '15970626']",A16AX13,D09985,1665222,,,5029,ZINC000003843198,CHEMBL2107381,,RG2133,90914,20058,CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)N1C=CC(=O)NC1=O,"InChI=1S/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10-,12-,13-,14-/m1/s1",AUFUWRKPQLGTGF-FMKGYKFTSA-N
DB09145,7732-18-5,Water,approved,,,D00001,107129,,HOH,,,CHEMBL1098659,,DEUTERIUM OXIDE,15377,22247451,O,InChI=1S/H2O/h1H2,XLYOFNOQVPJJNP-UHFFFAOYSA-N
DB09146,8047-67-4,Iron sucrose,approved,,"['V03AE05', 'B03AB02']",,1484283,,,,,,,,,91663255,O.O.O.[OH-].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11.5Fe.2Na.4H2O.8O/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;;;;;;;;;;;;;;;;;;;/h4-11,13-20H,1-3H2;;;;;;;;4*1H2;;;;;;;;/q;5*+3;2*+1;;;;;8*-2/p-1/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;;;;;/m1.................../s1",FWZTTZUKDVJDCM-CEJAUHOTSA-M
DB09147,10058-44-3,Ferric pyrophosphate,experimental,"['10231452', '14748943', '27557937', '22942439']",,,1607976,,,,,,,,132767,24877,[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1S/4Fe.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12",CADNYOZXMIKYPR-UHFFFAOYSA-B
DB09148,902143-01-5,Florbetaben (18F),approved,"['25824567', '16253804', '26175116']",V09AX06,D10002,1492940,,,4818,ZINC000100529288,CHEMBL566752,,,79033,11501341,CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1,"InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1",NCWZOASIUQVOFA-FWZJPQCDSA-N
DB09149,956103-76-7,Florbetapir (18F),"['approved', 'investigational']","['19837759', '20501908']",V09AX05,D09617,1427224,,,4285,ZINC000100090643,CHEMBL1774461,,,66880,24822371,[H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H],"InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1",YNDIAUKFXKEXSV-CRYLGTRXSA-N
DB09151,765922-62-1,Flutemetamol (18F),"['approved', 'investigational']","['27031469', '26440450']",V09AX04,D10231,1486025,,,4301,ZINC000100096928,CHEMBL2042122,,,76611,15950376,CNC1=C([18F])C=C(C=C1)C1=NC2=CC=C(O)C=C2S1,"InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1",VVECGOCJFKTUAX-HUYCHCPVSA-N
DB09152,7727-37-9,Nitrogen,"['vet_approved', 'approved']","['1151299', '21070460', '20837684']",V03AN04,D00083,7456,,HDZ,4251,,CHEMBL142438,,NITROGEN,17997,947,N#N,InChI=1S/N2/c1-2,IJGRMHOSHXDMSA-UHFFFAOYSA-N
DB09153,7647-14-5,Sodium chloride,"['vet_approved', 'approved']",,"['B05XA03', 'B05CB01', 'A12CA01']",D02056,9863,PA451382,,,,CHEMBL1200574,50098543,SODIUM CHLORIDE,26710,5234,[Na+].[Cl-],InChI=1S/ClH.Na/h1H;/q;+1/p-1,FAPWRFPIFSIZLT-UHFFFAOYSA-M
DB09154,68-04-2,Sodium citrate,"['approved', 'investigational']","['17883701', '26131288', '25535411', '14530750', '23824037']",B05CB02,D05855,56466,,,,,CHEMBL1355,,SODIUM CITRATE,53258,59701732,[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",HRXKRNGNAMMEHJ-UHFFFAOYSA-K
DB09155,7440-59-7,Helium,"['vet_approved', 'approved', 'investigational']","['22146102', '21906368', '20460992', '23916029', '20836899', '18662630', '14988333']",V03AN03,D04420,5140,PA449848,,4262,,CHEMBL1796997,,HELIUM,33681,23987,[He],InChI=1S/He,SWQJXJOGLNCZEY-UHFFFAOYSA-N
DB09156,73334-07-3,Iopromide,approved,,V08AB05,D01893,27781,,,1468,,CHEMBL1725,,ULTRAVIST,63578,3736,COCC(=O)NC1=C(I)C(C(=O)N(C)CC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,"InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)",DGAIEPBNLOQYER-UHFFFAOYSA-N
DB09157,124-38-9,Carbon dioxide,"['vet_approved', 'approved', 'investigational']",29991201,V03AN02,D00004,2034,PA448801,CO2,4256,,CHEMBL1231871,,CARBON DIOXIDE,16526,280,O=C=O,InChI=1S/CO2/c2-1-3,CURLTUGMZLYLDI-UHFFFAOYSA-N
DB09158,2538-83-2,Trypan blue free acid,approved,18432654,,,1726081,,,,ZINC000169289767,CHEMBL1089641,,TRYPAN BLUE,78900,,CC1=CC(=CC=C1\N=N\C1=C(C=C2C=C(C=C(N)C2=C1O)S(O)(=O)=O)S(O)(=O)=O)C1=CC(C)=C(C=C1)\N=N\C1=C(O)C2=C(N)C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+",ZBNARPCCDMHDDV-HVMBLDELSA-N
DB09160,127455-27-0,Technetium Tc-99m tetrofosmin,approved,8418268,V09GA02,D06050,,,,,,,,,,131704316,O.O.[98Tc].CCOCCP(CCOCC)CCP(CCOCC)CCOCC.CCOCCP(CCOCC)CCP(CCOCC)CCOCC,"InChI=1S/2C18H40O4P2.2H2O.Tc/c2*1-5-19-9-13-23(14-10-20-6-2)17-18-24(15-11-21-7-3)16-12-22-8-4;;;/h2*5-18H2,1-4H3;2*1H2;/i;;;;1+1",HBJYDUADMKVTGP-RCUQKECRSA-N
DB09161,109581-73-9,Technetium Tc-99m sestamibi,"['approved', 'investigational']","['25250628', '9472628', '9591588']",V09GA01,D01060,1482913,,,,,,,,,,[Tc+].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-],"InChI=1S/6C6H11NO.Tc/c6*1-6(2,8-4)5-7-3;/h6*5H2,1-2,4H3;/q;;;;;;+1",ZBTQTVSNLRPJHI-UHFFFAOYSA-N
DB09163,99944-78-2,Technetium Tc-99m exametazime,approved,"['7489945', '22787109', '2307169', '9293800', '15219282', '1804909']",V09AA01,D02284,1431726,,,,,,,,,,,,
DB09164,,Technetium Tc-99m disofenin,approved,"['2769404', '3585600', '2642291', '3349693', '17374583', '12483393', '2184521', '6281914']",V09DA01,,37665,,,,,,,,,11430828,[99Tc].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)CN(CC(O)=O)CC(O)=O,"InChI=1S/C18H26N2O5.Tc/c1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25;/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25);/i;1+2",JNJYQGLIZTUSCW-NLQOEHMXSA-N
DB09165,52997-54-3,Technetium Tc-99m pyrophosphate,approved,893676,V09BA03,,1488368,,,,,,,,,6452753,[99Tc+4].[O-]P([O-])(=O)OP([O-])([O-])=O,"InChI=1S/H4O7P2.Tc/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);/q;+4/p-4/i;1+2",OOGKGVXDDGJCPO-NLQOEHMXSA-J
DB09166,40054-69-1,Etizolam,experimental,"['10083975', '2572494', '1981698', '2692969', '2890779', '2065698']",N05BA19,D01514,,,,1102,ZINC000000001402,CHEMBL1289779,,ETIZOLAM,31583,3307,CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl,"InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3",VMZUTJCNQWMAGF-UHFFFAOYSA-N
DB09167,113-53-1,Dosulepin,approved,"['6215444', '17471183', '2670509', '7295471']",N06AA16,D07872,3634,,,951,ZINC000000020249,CHEMBL1492500,,,36803,5284550,CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12,"InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+",PHTUQLWOUWZIMZ-GZTJUZNOSA-N
DB09168,120448-97-7,4-Phenylfentanyl,illicit,,,,,,,,ZINC000026573383,CHEMBL312948,,,,10319503,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C28H32N2O/c1-2-27(31)30(26-16-10-5-11-17-26)28(25-14-8-4-9-15-25)19-22-29(23-20-28)21-18-24-12-6-3-7-13-24/h3-17H,2,18-23H2,1H3",BXCJXJLHYMWMQU-UHFFFAOYSA-N
DB09169,82208-84-2,3-Allylfentanyl,illicit,,,,,,,,,,,,,133866,CCC(=O)N([C@@H]1CCN(CCC2=CC=CC=C2)C[C@@H]1CC=C)C1=CC=CC=C1,"InChI=1S/C25H32N2O/c1-3-11-22-20-26(18-16-21-12-7-5-8-13-21)19-17-24(22)27(25(28)4-2)23-14-9-6-10-15-23/h3,5-10,12-15,22,24H,1,4,11,16-20H2,2H3/t22-,24+/m0/s1",BZXKQFFMDLTPJL-LADGPHEKSA-N
DB09170,1474-34-6,β-Hydroxythiofentanyl,illicit,,,,,,,,,CHEMBL4746356,,,,117072582,CCC(=O)N(C1CCN(CC(O)C2=CC=CS2)CC1)C1=CC=CC=C1,"InChI=1S/C20H26N2O2S/c1-2-20(24)22(16-7-4-3-5-8-16)17-10-12-21(13-11-17)15-18(23)19-9-6-14-25-19/h3-9,14,17-18,23H,2,10-13,15H2,1H3",GLAAETOTOUGGSB-UHFFFAOYSA-N
DB09171,79146-56-8,β-Methylfentanyl,illicit,,,,,,,,,,,,,6425761,CCC(=O)N(C1CCN(CC(C)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)18-19(2)20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3",UXIGUKSHASXDNI-UHFFFAOYSA-N
DB09172,101345-71-5,Brifentanil,illicit,,,,,,,,ZINC000003804917,,,,,60672,CCN1N=NN(CCN2CC[C@@H]([C@H](C)C2)N(C(=O)COC)C2=CC=CC=C2F)C1=O,"InChI=1S/C20H29FN6O3/c1-4-25-20(29)26(23-22-25)12-11-24-10-9-17(15(2)13-24)27(19(28)14-30-3)18-8-6-5-7-16(18)21/h5-8,15,17H,4,9-14H2,1-3H3/t15-,17+/m1/s1",KKMGCTVJCQYQPV-WBVHZDCISA-N
DB09173,1169-70-6,Butyrfentanyl,illicit,"['19567715', '25314012', '30930421', '25713275', '28807672']",,,,,,,ZINC000032266443,CHEMBL4759342,,,,621174,CCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3",QQOMYEQLWQJRKK-UHFFFAOYSA-N
DB09174,61380-40-3,Lofentanil,illicit,,,,,,,,ZINC000004216763,CHEMBL28198,50027473,,,10070040,CCC(=O)N(C1=CC=CC=C1)[C@]1(CCN(CCC2=CC=CC=C2)C[C@H]1C)C(=O)OC,"InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1",IMYHGORQCPYVBZ-NLFFAJNJSA-N
DB09175,117523-47-4,Mirfentanil,experimental,,,,,,,,,CHEMBL161084,50017404,,,60698,O=C(N(C1CCN(CCC2=CC=CC=C2)CC1)C1=NC=CN=C1)C1=CC=CO1,"InChI=1S/C22H24N4O2/c27-22(20-7-4-16-28-20)26(21-17-23-11-12-24-21)19-9-14-25(15-10-19)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,19H,8-10,13-15H2",BJZZDOLVVLWFHN-UHFFFAOYSA-N
DB09177,90736-23-5,p-Fluorofentanyl,illicit,,,,,,,,ZINC000001850114,CHEMBL2355317,,,61074,62300,CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1,"InChI=1S/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3",KXUBAVLIJFTASZ-UHFFFAOYSA-N
DB09178,42045-97-6,Phenaridine,illicit,,,,,,,,,,,,,162056,CCC(=O)N(C1CC(C)N(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1,"InChI=1S/C24H32N2O/c1-4-24(27)26(22-13-9-6-10-14-22)23-17-20(3)25(18-19(23)2)16-15-21-11-7-5-8-12-21/h5-14,19-20,23H,4,15-18H2,1-3H3",ODPKHHGQKIYCTJ-UHFFFAOYSA-N
DB09179,60618-49-7,R-30490,experimental,,,,,,,,,CHEMBL609147,,,,124716,CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CC=C2)CC1,"InChI=1S/C24H32N2O2/c1-3-23(27)26(22-12-8-5-9-13-22)24(20-28-2)15-18-25(19-16-24)17-14-21-10-6-4-7-11-21/h4-13H,3,14-20H2,1-2H3",GARXJOUQUSNOGK-UHFFFAOYSA-N
DB09180,1165-22-6,Thienylfentanyl,illicit,,,,,,,,ZINC000000001442,CHEMBL1997223,,,61099,62380,CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1)C1=CC=CC=C1,"InChI=1S/C20H26N2OS/c1-2-20(23)22(17-7-4-3-5-8-17)18-10-13-21(14-11-18)15-12-19-9-6-16-24-19/h3-9,16,18H,2,10-15H2,1H3",YMRFZDHYDKZXPA-UHFFFAOYSA-N
DB09181,120656-74-8,Trefentanil,experimental,,,,,,,,,CHEMBL84617,,,,60728,CCN1N=NN(CCN2CCC(CC2)(N(C(=O)CC)C2=CC=CC=C2F)C2=CC=CC=C2)C1=O,"InChI=1S/C25H31FN6O2/c1-3-23(33)32(22-13-9-8-12-21(22)26)25(20-10-6-5-7-11-20)14-16-29(17-15-25)18-19-31-24(34)30(4-2)27-28-31/h5-13H,3-4,14-19H2,1-2H3",RJSCINHYBGMIFT-UHFFFAOYSA-N
DB09182,1474-02-8,Benzylfentanyl,illicit,,,,,,,,ZINC000004808161,CHEMBL172155,,,,252141,CCC(=O)N(C1CCN(CC2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C21H26N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3",POQDXIFVWVZVML-UHFFFAOYSA-N
DB09183,1132935-63-7,Dasabuvir,approved,"['26651915', '28497432', '24882169', '25665437', '26567871', '25585348', '27179126']","['J05AP09', 'J05AP52']",D10582,1597381,PA166163411,,4914,ZINC000095616937,CHEMBL3137312,,ABT-333,85182,56640146,COC1=C(C=C(C=C1C1=CC2=CC=C(NS(C)(=O)=O)C=C2C=C1)N1C=CC(=O)NC1=O)C(C)(C)C,"InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)",NBRBXGKOEOGLOI-UHFFFAOYSA-N
DB09184,1194508-25-2,Edivoxetine,investigational,,,,,,,,ZINC000038342901,CHEMBL2103857,,LY2216684,,11186829,[H][C@]1(CNCCO1)[C@@](O)(CC1=C(OC)C=CC(F)=C1)C1CCOCC1,"InChI=1S/C18H26FNO4/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3/t17-,18+/m0/s1",CPBHSHYQQLFAPW-ZWKOTPCHSA-N
DB09185,46817-91-8,Viloxazine,"['withdrawn', 'approved', 'investigational']","['6326891', '974878', '1598024', '27230580', '7046360', '1154799', '324751', '7067726', '2761683']",N06AX09,D08673,11196,,,2820,,CHEMBL306700,50025691,VILOXAZINE,94405,5666,CCOC1=CC=CC=C1OCC1CNCCO1,"InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3",YWPHCCPCQOJSGZ-UHFFFAOYSA-N
DB09186,53179-07-0,Nisoxetine,experimental,,,D05173,,,,,,CHEMBL295467,22417,,73410,4500,CNCCC(OC1=CC=CC=C1OC)C1=CC=CC=C1,"InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3",ITJNARMNRKSWTA-UHFFFAOYSA-N
DB09187,70384-91-7,Lortalamine,experimental,"['15914010', '4091869', '6113932', '17073682', '4085522', '15998285', '2279460']",,D04781,,,,,,CHEMBL2218922,,,,3053755,CN1CCC23NC(=O)CC(C2C1)C1=CC(Cl)=CC=C1O3,"InChI=1S/C15H17ClN2O2/c1-18-5-4-15-12(8-18)10(7-14(19)17-15)11-6-9(16)2-3-13(11)20-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,17,19)",MJRPHRMGEKCADU-UHFFFAOYSA-N
DB09188,22136-26-1,Amedalin,experimental,,,,,,,,ZINC000002015642,,,,,76961482,CNCCC[C@]1(C)C(=O)N(C2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C19H22N2O/c1-19(13-8-14-20-2)16-11-6-7-12-17(16)21(18(19)22)15-9-4-3-5-10-15/h3-7,9-12,20H,8,13-14H2,1-2H3/t19-/m0/s1",HBGWAZBZXJBYQD-IBGZPJMESA-N
DB09189,22136-27-2,Daledalin,experimental,,,,,,,,,CHEMBL2110924,,,,31707,[H]N(C)CCCC1(C)CN(C2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3",YFAIJBZEDDOCAN-UHFFFAOYSA-N
DB09190,7182-51-6,Talopram,experimental,,,,,,,,,CHEMBL299233,50021246,,,23573,[H]N(C)CCCC1(OC(C)(C)C2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C20H25NO/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3",LJBBMCNHIUJBDU-UHFFFAOYSA-N
DB09191,21489-20-3,Talsupram,experimental,,,,,,,,,CHEMBL52247,50021217,,,33014,[H]N(C)CCCC1(SC(C)(C)C2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3",FKHYYOUFMJBLAF-UHFFFAOYSA-N
DB09192,42408-80-0,Tandamine,experimental,"['1085452', '853871', '1084746', '403562', '503251']",,,,,,,,CHEMBL2110652,,,,39187,CCN1C2=CC=CC=C2C2=C1C(C)(CCN(C)C)SCC2,"InChI=1S/C18H26N2S/c1-5-20-16-9-7-6-8-14(16)15-10-13-21-18(2,17(15)20)11-12-19(3)4/h6-9H,5,10-13H2,1-4H3",BRPOADLGOFPKKJ-UHFFFAOYSA-N
DB09193,61764-60-1,"CP-39,332",experimental,994022,,,,,,,,CHEMBL104444,50422040,,,15657209,CNC1CC(C2=CC=CC=C2)C2=CC=CC=C2C1,"InChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3",HLOCJJORRHQDKS-UHFFFAOYSA-N
DB09194,52942-31-1,Etoperidone,withdrawn,"['8386590', '11765144', '684760', '9537821', '7855217']",N06AB09,,,,,1111,ZINC000003830815,CHEMBL1743259,82438,,135589,40589,CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC,"InChI=1S/C19H28ClN5O/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17/h5,7-8,15H,3-4,6,9-14H2,1-2H3",IZBNNCFOBMGTQX-UHFFFAOYSA-N
DB09195,108785-69-9,Lorpiprazole,approved,"['22232986', '23192413']",,,,,,5098,ZINC000000537940,,,,,20055414,[H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2,"InChI=1S/C21H26F3N5/c22-21(23,24)16-4-2-5-17(13-16)28-11-9-27(10-12-28)8-7-19-25-26-20-18-6-1-3-15(18)14-29(19)20/h2,4-5,13,15,18H,1,3,6-12,14H2/t15-,18-/m0/s1",BNRMWKUVWLKDQJ-YJBOKZPZSA-N
DB09196,161178-07-0,Lubazodone,experimental,,,,,,,,,CHEMBL1080884,50313284,,,157919,[H]N1CCO[C@H](COC2=C3CCCC3=C(F)C=C2)C1,"InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1",HTODIQZHVCHVGM-JTQLQIEISA-N
DB09197,20326-12-9,Mepiprazole,experimental,"['7255266', '769484', '4609545', '9660', '6311738', '943291', '6128394', '1052713', '1095510']",,,,,,5097,ZINC000000001682,CHEMBL2106537,,,134701,71897,[H]N1N=C(CCN2CCN(CC2)C2=CC(Cl)=CC=C2)C=C1C,"InChI=1S/C16H21ClN4/c1-13-11-15(19-18-13)5-6-20-7-9-21(10-8-20)16-4-2-3-14(17)12-16/h2-4,11-12H,5-10H2,1H3,(H,18,19)",DOTIMEKVTCOGED-UHFFFAOYSA-N
DB09198,607723-33-1,Lobeglitazone,experimental,"['15110969', '27914133', '25580775', '26275726', '25648999']",,,,,,5078,,CHEMBL3585580,,CKD-501,136052,9826451,COC1=CC=C(OC2=NC=NC(=C2)N(C)CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,"InChI=1S/C24H24N4O5S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)",CHHXEZSCHQVSRE-UHFFFAOYSA-N
DB09199,161600-01-7,Netoglitazone,experimental,,,D05150,,,,,,CHEMBL93747,,,,204109,FC1=C(COC2=CC=C3C=C(CC4SC(=O)NC4=O)C=CC3=C2)C=CC=C1,"InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)",PKWDZWYVIHVNKS-UHFFFAOYSA-N
DB09200,185428-18-6,Rivoglitazone,"['experimental', 'investigational']","['17458185', '21492364']",,,,,7VA,,,CHEMBL2104753,50450235,DE-101,,3055168,COC1=CC=C2N=C(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)N(C)C2=C1,"InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)",XMSXOLDPMGMWTH-UHFFFAOYSA-N
DB09201,74772-77-3,Ciglitazone,experimental,"['8505086', '12440149', '19342033', '12372861', '10085162']",,D03493,,,,,,CHEMBL7002,50103636,,64227,2750,CC1(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)CCCCC1,"InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)",YZFWTZACSRHJQD-UHFFFAOYSA-N
DB09202,59939-16-1,Cirazoline,experimental,"['6123592', '8564227', '1350985']",,,,,,,ZINC000000001160,CHEMBL13852,50027060,,92950,2765,[H]N1CCN=C1COC1=CC=CC=C1C1CC1,"InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)",YAORIDZYZDUZCM-UHFFFAOYSA-N
DB09203,94-07-5,Synephrine,experimental,,"['S01GA06', 'C01CA08', 'S01GA56']",D07148,10288,,,3577,,CHEMBL33720,50102660,OXEDRINE,29081,7172,CNCC(O)C1=CC=C(O)C=C1,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3",YRCWQPVGYLYSOX-UHFFFAOYSA-N
DB09204,68377-92-4,Arotinolol,investigational,"['12853233', '2411566', '11675958', '10554561', '11478592']",,D07465,,,,243,,CHEMBL93298,81885,AROTINOLOL,135569,2239,CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O,"InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)",BHIAIPWSVYSKJS-UHFFFAOYSA-N
DB09205,54-32-0,Moxisylyte,"['approved', 'investigational']","['8103112', '24092932', '2973182', '6108620', '1491345', '11110501', '8229699', '8866639']","['C04AX10', 'G04BE06']",D08239,10561,,,1855,ZINC000000057401,CHEMBL159226,50452139,,94754,4260,CC(C)C1=C(OCCN(C)C)C=C(C)C(OC(C)=O)=C1,"InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3",VRYMTAVOXVTQEF-UHFFFAOYSA-N
DB09206,35795-16-5,Trimazosin,experimental,3780829,C02CA03,,,,,2747,ZINC000000601252,CHEMBL513301,,,135710,37264,COC1=CC2=C(N=C(N=C2N)N2CCN(CC2)C(=O)OCC(C)(C)O)C(OC)=C1OC,"InChI=1S/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)",YNZXWQJZEDLQEG-UHFFFAOYSA-N
DB09207,,AS-8112,experimental,"['11730730', '12593651', '11350861']",,,,,,,ZINC000136358235,,,,,10993014,[H]N(C)C1=C(Br)C=C(C(=O)N([H])[C@@H]2CN(C)CCN(CC)C2)C(OC)=C1,"InChI=1S/C17H27BrN4O2/c1-5-22-7-6-21(3)10-12(11-22)20-17(23)13-8-14(18)15(19-2)9-16(13)24-4/h8-9,12,19H,5-7,10-11H2,1-4H3,(H,20,23)/t12-/m1/s1",DALSFUWTAOKVTF-GFCCVEGCSA-N
DB09208,885051-90-1,Pegloticase,"['approved', 'investigational']",27493693,M04AX02,D09316,1011650,,,,,,,,,,,,
DB09209,509-67-1,Pholcodine,"['illicit', 'approved']","['3741728', '23283141', '3190994', '9804079']",R05DA08,D07385,33431,,,2154,ZINC000004217287,CHEMBL2105224,,PHOLCODINE,53579,5311356,[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1",GPFAJKDEDBRFOS-FKQDBXSBSA-N
DB09210,7491-74-9,Piracetam,"['approved', 'investigational']","['15338329', '16007238', '20218980']",N06BX03,,8351,,PZI,2197,ZINC000003812874,CHEMBL36715,62877,PIRACETAM,32010,4843,NC(=O)CN1CCCC1=O,"InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)",GMZVRMREEHBGGF-UHFFFAOYSA-N
DB09211,74397-12-9,Limaprost,investigational,"['26162717', '19825922', '14713863']",,D02722,,,,1581,ZINC000004216741,CHEMBL2107456,,LIMAPROST,135594,6438378,CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O,"InChI=1S/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1",OJZYRQPMEIEQFC-UAWLTFRCSA-N
DB09212,68767-14-6,Loxoprofen,approved,"['30072626', '29851133', '25765700', '14980665']",,D08149,28908,PA166049180,,1615,,CHEMBL19299,50140320,LOXOPROFEN,76172,3965,CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1,"InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)",YMBXTVYHTMGZDW-UHFFFAOYSA-N
DB09213,51146-56-6,Dexibuprofen,"['approved', 'investigational']","['24151035', '8582471', '19552094', '23316393', '19032727', '17264714']",M01AE14,D03715,,PA166049174,IBP,3851,ZINC000000002647,CHEMBL175,50169047,DEXIBUPROFEN,43415,39912,CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1",HEFNNWSXXWATRW-JTQLQIEISA-N
DB09214,22161-81-5,Dexketoprofen,"['approved', 'investigational']",16801987,"['M01AE17', 'M02AA27', 'N02AJ14']",D07269,237162,PA166049175,9KL,833,ZINC000000005560,CHEMBL75435,50088570,DEXKETOPROFEN,76128,667550,[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1",DKYWVDODHFEZIM-NSHDSACASA-N
DB09215,90101-16-9,Droxicam,withdrawn,"['3278945', '16867024', '8162655']",M01AC04,D07267,23687,PA166049182,,970,ZINC000000597502,CHEMBL1213420,,,76133,65679,CN1C2=C(OC(=O)N(C2=O)C2=CC=CC=N2)C2=CC=CC=C2S1(=O)=O,"InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3",OEHFRZLKGRKFAS-UHFFFAOYSA-N
DB09216,13710-19-5,Tolfenamic acid,"['approved', 'investigational']","['6691890', '7816776', '7238564', '9638074', '8200415', '1649132', '3758148', '9109966']",M01AG02,D01183,38377,PA166049189,TLF,2698,ZINC000000002188,CHEMBL121626,35905,TOLFENAMIC ACID,32243,610479,CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O,"InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)",YEZNLOUZAIOMLT-UHFFFAOYSA-N
DB09217,189954-96-9,Firocoxib,"['experimental', 'vet_approved']",,,D03712,473298,PA166049194,,,ZINC000003623447,CHEMBL69998,50080082,,76136,208910,CC1(C)OC(=O)C(OCC2CC2)=C1C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3",FULAPETWGIGNMT-UHFFFAOYSA-N
DB09218,17737-65-4,Clonixin,experimental,4935715,,D03555,2601,,6J3,705,ZINC000000001195,CHEMBL1332971,50201612,CLONIXIN,76200,28718,CC1=C(NC2=C(C=CC=N2)C(O)=O)C=CC=C1Cl,"InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)",CLOMYZFHNHFSIQ-UHFFFAOYSA-N
DB09219,17692-24-9,Bisoxatin,approved,,A06AB09,,,,,4356,ZINC000002017901,,,,135955,28689,OC1=CC=C(C=C1)C1(OC2=CC=CC=C2NC1=O)C1=CC=C(O)C=C1,"InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)19(24)21-17-3-1-2-4-18(17)25-20/h1-12,22-23H,(H,21,24)",BPKUDUSVDVLOPY-UHFFFAOYSA-N
DB09220,65141-46-0,Nicorandil,"['approved', 'investigational']","['8982500', '15910878', '15102948', '12770942', '15953614', '1282174', '1281076', '22622455', '8844437', '1282168']",C01DX16,D01810,31748,,,1919,ZINC000001533102,CHEMBL284906,50247908,SG-75,31905,47528,[O-][N+](=O)OCCNC(=O)C1=CC=CN=C1,"InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)",LBHIOVVIQHSOQN-UHFFFAOYSA-N
DB09221,107667-60-7,Polaprezinc,experimental,"['7893270', '22382829', '23826914', '24691900']",,D01611,2179843,,,,,CHEMBL3184454,,,,9817450,NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1,"InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2/t7-;/m0./s1",IGXZLYMCFZHNKW-FJXQXJEOSA-L
DB09222,9001-32-5,Fibrinogen human,approved,,B02BB01,,4385,,,,,,,,,,,,
DB09223,132810-10-7,Blonanserin,investigational,"['20030420', '24099858', '23417765']",,D01176,,,,388,ZINC000000597434,CHEMBL178803,50160807,DSP-5423,31296,125564,CCN1CCN(CC1)C1=NC2=C(CCCCCC2)C(=C1)C1=CC=C(F)C=C1,"InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3",XVGOZDAJGBALKS-UHFFFAOYSA-N
DB09224,3575-80-2,Melperone,investigational,"['7140807', '12765745', '1688972']",N05AD03,D07309,29961,,,1677,ZINC000000001672,CHEMBL1531134,81771,MELPERONE,93626,15387,CC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,"InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3",DKMFBWQBDIGMHM-UHFFFAOYSA-N
DB09225,26615-21-4,Zotepine,"['withdrawn', 'approved', 'investigational']","['9485566', '2883677', '6124648', '42414', '22174537', '1683340']",N05AX11,D01321,40003,,ZOT,2875,ZINC000000002264,CHEMBL285802,35255,NIPOLEPT,32316,5736,CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12,"InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3",HDOZVRUNCMBHFH-UHFFFAOYSA-N
DB09226,1239729-06-6,Brilaroxazine,investigational,,,,,,,,,,312188,BRILAROXAZINE,,46861612,ClC1=C(Cl)C(=CC=C1)N1CCN(CCCCOC2=CC=C3OCC(=O)NC3=C2)CC1,"InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)",PMKMNTBZJOXTJW-UHFFFAOYSA-N
DB09227,104713-75-9,Barnidipine,experimental,"['11434453', '9058533', '9660520', '9660522', '10952695']",C08CA12,,39879,,,290,ZINC000100011067,CHEMBL2103761,50088384,,135793,443869,COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1,"InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25-/m0/s1",VXMOONUMYLCFJD-DHLKQENFSA-N
DB09228,80295-38-1,Conestat alfa,"['approved', 'investigational']","['123251', '13734157', '16267649', '3756141', '6184384', '6725552', '11460008']",B06AC04,,1599831,,,,,,,,,,,,
DB09229,86780-90-7,Aranidipine,experimental,"['10493269', '10836731', '8667194', '9007851']",,D01562,,,,234,,CHEMBL2104030,,,31232,2225,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O,"InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3",NCUCGYYHUFIYNU-UHFFFAOYSA-N
DB09230,123524-52-7,Azelnidipine,investigational,"['18193691', '2810942']",,D01145,,,,272,,CHEMBL1275868,,AZELNIDIPINE,31247,65948,CC(C)OC(=O)C1=C(C)NC(N)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3",ZKFQEACEUNWPMT-UHFFFAOYSA-N
DB09231,105979-17-7,Benidipine,experimental,"['17537876', '16565579', '3427272']",C08CA15,,,,,3880,ZINC000100014880,CHEMBL2105555,,,,656668,COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1,"InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1",QZVNQOLPLYWLHQ-ZEQKJWHPSA-N
DB09232,132203-70-4,Cilnidipine,investigational,"['1881002', '25336921', '10408255']",C08CA14,D01173,,,,642,,CHEMBL452076,50101813,CILNIDIPINE,31399,5282138,COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1,"InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+",KJEBULYHNRNJTE-DHZHZOJOSA-N
DB09233,113759-50-5,Cronidipine,experimental,,,,,,,,,,,,,65918,[H]N1C(C)=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCC2COC3(CCN(CC3)C3=CC=C(Cl)C=C3)O2)=C1C)C(=O)OC,"InChI=1S/C30H32ClN3O8/c1-18-25(28(35)39-3)27(20-5-4-6-23(15-20)34(37)38)26(19(2)32-18)29(36)40-16-24-17-41-30(42-24)11-13-33(14-12-30)22-9-7-21(31)8-10-22/h4-10,15,24,27,32H,11-14,16-17H2,1-3H3",CNIJVNPIIHWRRP-UHFFFAOYSA-N
DB09234,72803-02-2,Darodipine,experimental,,,,,,,,ZINC000000608297,CHEMBL2104154,,,,51701,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OCC,"InChI=1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3",QERUYFVNIOLCHV-UHFFFAOYSA-N
DB09235,111011-63-3,Efonidipine,experimental,"['16306803', '20881449', '20558909', '12070536']",,,,,,992,,CHEMBL2074922,,EFONIDIPINE,146221,119171,CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3",NSVFSAJIGAJDMR-UHFFFAOYSA-N
DB09236,103890-78-4,Lacidipine,"['approved', 'investigational']","['7527328', '9051306', '22653165', '8387105', '14524737']",C08CA09,D04657,28382,,,1532,ZINC000100015470,CHEMBL460291,,LACIDIPINE,135737,5311217,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC,"InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+",GKQPCPXONLDCMU-CCEZHUSRSA-N
DB09237,103129-82-4,Levamlodipine,"['approved', 'investigational']","['24683248', '19450464', '25966690', '7986667', '2943308', '24301608', '1532771']",,,2376944,,6UB,4099,ZINC000100001964,CHEMBL2111097,,LEVAMLODIPINE,53796,9822750,CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1",HTIQEAQVCYTUBX-KRWDZBQOSA-N
DB09238,89226-50-6,Manidipine,"['approved', 'investigational']","['11693466', '15329044']","['C09BB12', 'C08CA11']",,29275,,,1631,,CHEMBL1085699,,MANIDIPINE,135849,4008,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3",ANEBWFXPVPTEET-UHFFFAOYSA-N
DB09239,113165-32-5,Niguldipine,experimental,2548881,,,,,,,ZINC000100001967,CHEMBL405355,50453799,,103931,60602,[H]N1C(C)=C([C@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC,"InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1",SVJMLYUFVDMUHP-XIFFEERXSA-N
DB09240,22609-73-0,Niludipine,experimental,,,,,,,,ZINC000026891857,CHEMBL2106840,,,,89767,[H]N1C(C)=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCOCCC)=C1C)C(=O)OCCOCCC,"InChI=1S/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3",VZWXXKDFACOXNT-UHFFFAOYSA-N
DB09241,61-73-4,Methylene blue,"['approved', 'investigational']","['10646879', '17026773', '12166056', '15854942', '7864410']","['V03AB17', 'V04CG05']",,6878,,,1763,,CHEMBL405110,,,6872,6099,[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1,"InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1",CXKWCBBOMKCUKX-UHFFFAOYSA-M
DB09242,75438-57-2,Moxonidine,"['approved', 'investigational']","['9321737', '8068578', '16597164', '12584161', '10984201', '14607206']","['C02AC05', 'C02LC05']",D05087,30257,,,1856,ZINC000001854466,CHEMBL19236,50050093,BDF-5896,7009,4810,COC1=NC(C)=NC(Cl)=C1NC1=NCCN1,"InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)",WPNJAUFVNXKLIM-UHFFFAOYSA-N
DB09243,3614-47-9,Hydracarbazine,experimental,,,,,,,5125,ZINC000005842953,CHEMBL2106246,,,136055,71653,[H]N([H])N([H])C1=NN=C(C=C1)C(=O)N([H])[H],"InChI=1S/C5H7N5O/c6-5(11)3-1-2-4(8-7)10-9-3/h1-2H,7H2,(H2,6,11)(H,8,10)",WRYZEGZNBYOMLE-UHFFFAOYSA-N
DB09244,60762-57-4,Pirlindole,experimental,"['9368911', '21877764']",,D08392,,,,2206,,CHEMBL32350,50531838,,91755,68802,CC1=CC=C2N3CCNC4CCCC(=C34)C2=C1,"InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3",IWVRVEIKCBFZNF-UHFFFAOYSA-N
DB09245,29218-27-7,Toloxatone,experimental,"['1424410', '1705137', '2685852']",N06AG03,D02559,38382,,,2702,,CHEMBL18116,50110725,,156575,34521,CC1=CC(=CC=C1)N1CC(CO)OC1=O,"InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3",MXUNKHLAEDCYJL-UHFFFAOYSA-N
DB09246,7654-03-7,Benmoxin,withdrawn,,,,,,,3681,,CHEMBL1877495,,,134978,71671,CC(NNC(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)",BEWNZPMDJIGBED-UHFFFAOYSA-N
DB09247,3544-35-2,Iproclozide,withdrawn,"['680506', '5930723']",N06AF06,D07338,,,,1479,ZINC000000001577,CHEMBL91238,,,134988,19063,CC(C)NNC(=O)COC1=CC=C(Cl)C=C1,"InChI=1S/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)",GGECDTUJZOXAAR-UHFFFAOYSA-N
DB09248,65-64-5,Mebanazine,withdrawn,"['5320546', '5889715', '5327282']",,,,,,4865,,CHEMBL1909283,,,134728,6179,CC(NN)C1=CC=CC=C1,"InChI=1S/C8H12N2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,10H,9H2,1H3",HHRZAEJMHSGZNP-UHFFFAOYSA-N
DB09249,4684-87-1,Octamoxin,withdrawn,5976767,,,,,,3800,,CHEMBL2104528,,,134768,20811,CCCCCCC(C)NN,"InChI=1S/C8H20N2/c1-3-4-5-6-7-8(2)10-9/h8,10H,3-7,9H2,1-2H3",FODQIVGFADUBKE-UHFFFAOYSA-N
DB09250,55-52-7,Pheniprazine,withdrawn,"['14000469', '13928843', '13746179']",,,,,,2131,,CHEMBL22498,,,134773,5929,CC(CC1=CC=CC=C1)NN,"InChI=1S/C9H14N2/c1-8(11-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3",VXTWEDPZMSVFEF-UHFFFAOYSA-N
DB09251,3818-37-9,Phenoxypropazine,withdrawn,"['13928824', '13956423', '14069469']",,,,,,3814,,CHEMBL1909286,,,134799,71467,[H]N([H])N([H])C(C)COC1=CC=CC=C1,"InChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3",QNEXFJFTGQBXBJ-UHFFFAOYSA-N
DB09252,306-19-4,Pivhydrazine,withdrawn,"['981020', '43225', '5381593']",,,,,,3819,ZINC000000001967,CHEMBL2106941,,,134868,9375,[H]N(CC1=CC=CC=C1)N([H])C(=O)C(C)(C)C,"InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)",FWWDFDMCZLOXQI-UHFFFAOYSA-N
DB09253,33419-68-0,Safrazine,withdrawn,,,,,,,,,CHEMBL3301845,,,,34042,CC(CCC1=CC2=C(OCO2)C=C1)NN,"InChI=1S/C11H16N2O2/c1-8(13-12)2-3-9-4-5-10-11(6-9)15-7-14-10/h4-6,8,13H,2-3,7,12H2,1H3",IBWPUTAKVGZXRB-UHFFFAOYSA-N
DB09254,18464-39-6,Caroxazone,withdrawn,"['359383', '7272163']",,,,,,3704,ZINC000000001095,CHEMBL2104164,,,134867,29083,NC(=O)CN1CC2=CC=CC=C2OC1=O,"InChI=1S/C10H10N2O3/c11-9(13)6-12-5-7-3-1-2-4-8(7)15-10(12)14/h1-4H,5-6H2,(H2,11,13)",KYCBWEZLKCTALM-UHFFFAOYSA-N
DB09255,9004-54-0,Dextran,"['vet_approved', 'approved', 'investigational']","['14864546', '18572351', '2435442']",B05AA05,D00060,42635,,,,,,,,,,,,
DB09256,17902-23-7,Tegafur,"['approved', 'investigational']","['22824079', '11098484', '25206296']","['L01BC03', 'L01BC53']",D01244,4582,,,4398,,CHEMBL20883,,CITOFUR,32188,5386,FC1=CN(C2CCCO2)C(=O)NC1=O,"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)",WFWLQNSHRPWKFK-UHFFFAOYSA-N
DB09257,103766-25-2,Gimeracil,approved,28927087,,D01846,,,,1293,ZINC000013831809,CHEMBL1730601,,GIMERACIL,31652,54679224,OC1=CC(=O)NC=C1Cl,"InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)",ZPLQIPFOCGIIHV-UHFFFAOYSA-N
DB09258,91449-79-5,Bemiparin,"['approved', 'investigational']","['17258114', '12943485', '21458847', '14524738', '19954711', '21162606']",B01AB12,,280611,,,,,,,,,,,,
DB09259,9041-08-1,Reviparin,"['approved', 'investigational']","['10759689', '8917255']",B01AB08,D03337,75960,,,,,,,,,,,,
DB09260,9005-49-6,Parnaparin,"['approved', 'investigational']",17549299,B01AB07,,69528,,,,,,,,,,,,
DB09261,,Certoparin,"['approved', 'investigational']",,,,152610,,,,,,,,,,,,
DB09262,170105-16-5,Imidafenacin,investigational,"['27430986', '19122340', '17396619', '10428387', '12452898']",,,,,,4902,ZINC000000007368,CHEMBL53366,,KRP-197,134720,6433090,CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24)",SQKXYSGRELMAAU-UHFFFAOYSA-N
DB09263,1260643-52-4,Patiromer,"['approved', 'investigational']","['21208974', '26456884']",,D10148,1716203,,,,,,,,,,,,
DB09264,1362509-93-0,Idarucizumab,approved,"['27389324', '27388764']",V03AB37,D10741,1716191,,,,,,,,,,,,
DB09265,320367-13-3,Lixisenatide,approved,"['23665027', '17306374']","['A10BJ03', 'A10AE54']",D09729,1440051,,,4815,,,,,,,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O,"InChI=1S/C215H347N61O65S/c1-16-115(10)173(210(337)256-141(68-74-170(299)300)194(321)261-148(94-122-98-232-126-50-24-23-49-124(122)126)199(326)258-143(89-111(2)3)196(323)247-134(58-32-40-83-223)189(316)262-149(96-160(226)285)180(307)235-100-161(286)233-104-165(290)274-85-42-60-156(274)207(334)267-154(108-280)206(333)265-151(105-277)181(308)237-101-162(287)239-117(12)213(340)276-87-44-62-158(276)214(341)275-86-43-61-157(275)208(335)268-153(107-279)204(331)249-132(56-30-38-81-221)187(314)246-131(55-29-37-80-220)186(313)245-130(54-28-36-79-219)185(312)244-129(53-27-35-78-218)184(311)243-128(52-26-34-77-217)183(310)242-127(176(227)303)51-25-33-76-216)272-201(328)146(92-120-45-19-17-20-46-120)260-197(324)144(90-112(4)5)257-190(317)135(59-41-84-231-215(228)229)255-209(336)172(114(8)9)271-177(304)116(11)240-182(309)138(65-71-167(293)294)251-192(319)139(66-72-168(295)296)252-193(320)140(67-73-169(297)298)253-195(322)142(75-88-342-15)254-191(318)137(63-69-159(225)284)250-188(315)133(57-31-39-82-222)248-203(330)152(106-278)266-198(325)145(91-113(6)7)259-200(327)150(97-171(301)302)263-205(332)155(109-281)269-212(339)175(119(14)283)273-202(329)147(93-121-47-21-18-22-48-121)264-211(338)174(118(13)282)270-164(289)103-236-179(306)136(64-70-166(291)292)241-163(288)102-234-178(305)125(224)95-123-99-230-110-238-123/h17-24,45-50,98-99,110-119,125,127-158,172-175,232,277-283H,16,25-44,51-97,100-109,216-224H2,1-15H3,(H2,225,284)(H2,226,285)(H2,227,303)(H,230,238)(H,233,286)(H,234,305)(H,235,307)(H,236,306)(H,237,308)(H,239,287)(H,240,309)(H,241,288)(H,242,310)(H,243,311)(H,244,312)(H,245,313)(H,246,314)(H,247,323)(H,248,330)(H,249,331)(H,250,315)(H,251,319)(H,252,320)(H,253,322)(H,254,318)(H,255,336)(H,256,337)(H,257,317)(H,258,326)(H,259,327)(H,260,324)(H,261,321)(H,262,316)(H,263,332)(H,264,338)(H,265,333)(H,266,325)(H,267,334)(H,268,335)(H,269,339)(H,270,289)(H,271,304)(H,272,328)(H,273,329)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,228,229,231)/t115-,116-,117-,118+,119+,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,172-,173-,174-,175-/m0/s1",XVVOERDUTLJJHN-IAEQDCLQSA-N
DB09266,1262984-82-6,Technetium Tc-99m tilmanocept,"['approved', 'investigational']","['25956693', '23504141', '25670018']",V09IA09,,1373391,,,,,,,,,,,,
DB09267,135459-87-9,Strontium ranelate,"['withdrawn', 'approved']","['18927086', '19783592', '22461285', '23925392', '18497443']","['M05BX03', 'M05BX53']",,,,,,,CHEMBL3707306,,,,46782942,[Sr++].[Sr++].[O-]C(=O)CN(CC([O-])=O)C1=C(C#N)C(CC([O-])=O)=C(S1)C([O-])=O,"InChI=1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4",XXUZFRDUEGQHOV-UHFFFAOYSA-J
DB09268,10040-34-3,Picosulfuric acid,approved,"['577869', '19826647', '7194649', '1507649']","['A06AB58', 'A06AB08']",,1546457,,,,ZINC000003873921,CHEMBL1741134,,SODIUM PICOSULFATE,,5243,OS(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=N1,"InChI=1S/C18H15NO8S2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H,20,21,22)(H,23,24,25)",UJIDKYTZIQTXPM-UHFFFAOYSA-N
DB09269,103-82-2,Phenylacetic acid,approved,,,,33332,,PAC,4624,ZINC000000388462,CHEMBL1044,16419,,30745,999,OC(=O)CC1=CC=CC=C1,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",WLJVXDMOQOGPHL-UHFFFAOYSA-N
DB09270,303-98-0,Ubidecarenone,"['approved', 'nutraceutical', 'investigational']","['19240848', '29190916', '12374491', '7599208', '19281730', '16551570']",C01EB09,D01065,21406,,U10,4607,ZINC000085427689,CHEMBL454801,,UBIQUINONE 50,46245,5281915,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,"InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",ACTIUHUUMQJHFO-UPTCCGCDSA-N
DB09271,150521-16-7,Cimetropium,"['experimental', 'investigational']",3912339,A03BB05,D07099,,,,,ZINC000100014304,CHEMBL2110773,,CIMETROPIUM,135516,,[H][C@](CO)(C(=O)O[C@@]1([H])C[C@@]2([H])[C@]3([H])O[C@]3([H])[C@@]([H])(C1)[N+]2(C)CC1CC1)C1=CC=CC=C1,"InChI=1S/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1",QVVOZYKELHAIPX-WVHCHWADSA-N
DB09272,864821-90-9,Eluxadoline,"['approved', 'investigational']","['26149369', '25491493', '25261794', '23583433', '26558923']",A07DA06,D10403,1653781,,,5001,ZINC000014210876,CHEMBL2159122,50393720,ELUXADOLINE,85980,11250029,COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C2=CC=CC=C2)C(=O)[C@@H](N)CC2=C(C)C=C(C=C2C)C(N)=O)C=C1C(O)=O,"InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1",QFNHIDANIVGXPE-FNZWTVRRSA-N
DB09273,69975-86-6,Doxofylline,experimental,"['3245738', '19678793', '29255355', '11268710', '2791671', '18376093']",R03DA11,D03898,,,,959,ZINC000000003837,CHEMBL1527608,,DOXOFYLLINE,94714,50942,CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O,"InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3",HWXIGFIVGWUZAO-UHFFFAOYSA-N
DB09274,88495-63-0,Artesunate,"['approved', 'investigational']","['17123971', '23684544', '12167566', '26776328', '25126794']","['P01BF06', 'P01BE03', 'P01BF02', 'P01BF04', 'P01BF03']",D02482,18346,,D95,247,ZINC000014096305,CHEMBL361497,50248021,ARTESUNATE,63918,6917864,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@@H](OC(=O)CCC(O)=O)[C@@H]2C)O4,"InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1",FIHJKUPKCHIPAT-AHIGJZGOSA-N
DB09275,880149-29-1,Bismuth subcitrate potassium,"['approved', 'investigational']","['10971684', '3053124', '1957120']","['A02BD08', 'A02BX05']",,47181,,,,,,,,,91886165,[K+].[K+].[K+].[K+].[K+].[Bi+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O,"InChI=1S/2C6H7O7.Bi.5K/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h2*1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;/q2*-1;+3;5*+1/p-6",YDDTTXDPCSCLKY-UHFFFAOYSA-H
DB09276,12244-57-4,Sodium aurothiomalate,"['approved', 'investigational']","['9783766', '18523733']",M01CB01,,4981,,,,,,,,35864,22318,[Na+].[Na+].[O-]C(=O)CC(S[Au])C([O-])=O,"InChI=1S/C4H6O4S.Au.2Na/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;3*+1/p-3",VXIHRIQNJCRFQX-UHFFFAOYSA-K
DB09277,87591-54-6,Choline C 11,"['approved', 'investigational']","['22617062', '11476167', '27510010', '26761541']",,,,,,,,CHEMBL2095207,,,72321,14989482,[Cl-].C[N+](C)([11CH3])CCO,"InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1-1;",SGMZJAMFUVOLNK-ULWFUOSBSA-M
DB09278,64365-11-3,Activated charcoal,approved,"['28535126', '17387602', '28133524', '25781707', '6761032', '3788134', '18280328', '25608917', '18750603', '3538661']","['A07BA01', 'A07BA51']",D03251,272,,,,,CHEMBL2106049,,AST 120,27594,5462310,[C],InChI=1S/C,OKTJSMMVPCPJKN-UHFFFAOYSA-N
DB09279,247257-48-3,Fimasartan,investigational,22864732,"['C09DA10', 'C10BX16', 'C09CA10', 'C09DB09']",,,,,4906,ZINC000003842872,CHEMBL1951143,50364573,FIMASARTAN,136044,9870652,CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1,"InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)",AMEROGPZOLAFBN-UHFFFAOYSA-N
DB09280,936727-05-8,Lumacaftor,approved,"['22293084', '28031875', '26718821', '14719996', '27714410', '24973281', '26416827', '17291132']",R07AX30,D10134,1655922,PA166114483,,5010,ZINC000064033452,CHEMBL2103870,50289703,LUMACAFTOR,90951,16678941,CC1=CC=C(NC(=O)C2(CC2)C2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC(=CC=C1)C(O)=O,"InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)",UFSKUSARDNFIRC-UHFFFAOYSA-N
DB09281,14987-04-3,Magnesium trisilicate,approved,,,D03271,29170,,,,,CHEMBL2096633,,,,129627946,[Mg++].[Mg++].[O-][Si](=O)O[Si]([O-])([O-])O[Si]([O-])=O,"InChI=1S/2Mg.O8Si3/c;;1-9(2)7-11(5,6)8-10(3)4/q2*+2;-4",GXGAKHNRMVGRPK-UHFFFAOYSA-N
DB09282,25717-80-0,Molsidomine,"['approved', 'investigational']","['3838399', '24090640', '26162034', '8743336']",C01DX12,D01320,7023,,,1831,,CHEMBL1329455,39912,MOLSIDOMINE,31861,5353788,CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1,"InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3",XLFWDASMENKTKL-UHFFFAOYSA-N
DB09283,15421-84-8,Trapidil,experimental,"['21746798', '6265246', '9461238', '21484090', '6264257', '8904615', '6894333', '6086387']",C01DX11,,10735,,K1S,3621,ZINC000000002202,CHEMBL132767,50240032,TRAPIDIL,32254,5531,CCN(CC)C1=CC(C)=NC2=NC=NN12,"InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3",GSNOZLZNQMLSKJ-UHFFFAOYSA-N
DB09284,318-23-0,Imolamine,investigational,15646539,C01DX09,D07159,,,,1430,ZINC000000001560,CHEMBL2104282,,,135072,27501,CCN(CC)CCN1C(=N)ON=C1C1=CC=CC=C1,"InChI=1S/C14H20N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3",MGSPDRWOUCPKNZ-UHFFFAOYSA-N
DB09285,65847-85-0,Morniflumate,experimental,"['16278927', '6608862', '1659152', '1796197']",M01AX22,D05078,30225,,,4672,ZINC000021999791,CHEMBL2105059,,,136018,72106,FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1,"InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)",LDXSPUSKBDTEKA-UHFFFAOYSA-N
DB09286,1893-33-0,Pipamperone,investigational,"['8632342', '26447610', '906888', '21349239', '10657547', '17535043', '16978659', '8935801']",N05AD05,D02622,33739,,,2181,ZINC000021297287,CHEMBL440294,81483,R 3345,78549,4830,NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1,"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)",AXKPFOAXAHJUAG-UHFFFAOYSA-N
DB09287,25322-68-3,Polyethylene glycol,"['vet_approved', 'approved']","['23449608', '10703152', '28147222', '27871178']","['A06AD15', 'A06AD65']",D03370,1310594,,,,,,,,,,,,
DB09288,66532-85-2,Propacetamol,experimental,"['24779190', '14711849', '8116325', '1633071']",N02BE05,D07294,,,,2290,ZINC000055161176,CHEMBL1851805,,PROPACETAMOL,135089,68865,CCN(CC)CC(=O)OC1=CC=C(NC(C)=O)C=C1,"InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)",QTGAJCQTLIRCFL-UHFFFAOYSA-N
DB09289,72797-41-2,Tianeptine,investigational,"['25026323', '1660816', '12841497', '17368617', '29230490', '11981225', '22679908', '28303899', '2597170', '2341111', '3180120', '12372016', '7694170', '7774514', '19704408', '25759404', '1981739']",N06AX14,D02575,38252,,,2650,,CHEMBL1289110,,JNJ-39823277,190008,68870,CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O,"InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)",JICJBGPOMZQUBB-UHFFFAOYSA-N
DB09290,132036-88-5,Ramosetron,investigational,"['10648342', '26558626']",,D08466,,,,2357,ZINC000005116719,CHEMBL1643895,50334454,YM060,135156,108000,CN1C=C(C(=O)[C@@H]2CCC3=C(C2)N=CN3)C2=C1C=CC=C2,"InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1",NTHPAPBPFQJABD-LLVKDONJSA-N
DB09291,552292-08-7,Rolapitant,"['approved', 'investigational']","['22497992', '26467681', '21385988']",A04AD14,D10742,1665496,,,5027,ZINC000003816514,CHEMBL3707331,,ROLAPITANT HYDROCHLORIDE MONOHYDRATE,90908,10311306,C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1",FIVSJYGQAIEMOC-ZGNKEGEESA-N
DB09292,149709-62-6,Sacubitril,approved,"['26466607', '19934029', '26406774']",C09DX04,D10225,1656328,PA166131580,,5012,ZINC000003792417,CHEMBL3137301,,AHU-377,134714,9811834,CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O,"InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1",PYNXFZCZUAOOQC-UTKZUKDTSA-N
DB09293,14914-30-8,Iodide I-131,"['approved', 'investigational']",,"['V09FX03', 'V10XA01']",D02259,1546394,,,,,,,,,167195,[131I-],InChI=1S/HI/h1H/p-1/i1+4,XMBWDFGMSWQBCA-RNFDNDRNSA-M
DB09295,66898-62-2,Talniflumate,experimental,"['6852999', '26880801', '15202731']",,D02701,236770,,,2559,,CHEMBL1081506,50239971,TALNIFLUMATE,91991,48229,FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OC2OC(=O)C3=CC=CC=C23)=CC=C1,"InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)",ANMLJLFWUCQGKZ-UHFFFAOYSA-N
DB09296,1258226-87-7,Ombitasvir,"['approved', 'investigational']","['27401997', '28497432', '27179128', '25585348', '9305675', '24400777', '15302943']","['J05AP52', 'J05AP53']",D10745,1597371,PA166163409,,4912,ZINC000150601177,CHEMBL3127326,50453112,OMBITASVIR,85183,54767916,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](N1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C=C1,"InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1",PIDFDZJZLOTZTM-KHVQSSSXSA-N
DB09297,1216941-48-8,Paritaprevir,"['approved', 'investigational']","['25680759', '28497432', '27217519', '23463199', '25585348', '9305675', '27357277']","['J05AP52', 'J05AP53']",D10580,1597373,PA166163410,,4913,ZINC000197964623,CHEMBL3391662,,ABT-450,,45110509,[H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)C1=CN=C(C)C=N1)OC1=NC2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)NS(=O)(=O)C1CC1,"InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1",UAUIUKWPKRJZJV-QPLHLKROSA-N
DB09298,22888-70-6,Silibinin,"['experimental', 'investigational']",,A05BA03,D08515,155067,PA166129539,,,ZINC000002033589,CHEMBL431701,50084982,SILYBIN A,9144,31553,[H][C@@]1(OC2=C(O[C@@H]1CO)C=CC(=C2)[C@@]1([H])OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O)C1=CC(OC)=C(O)C=C1,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1",SEBFKMXJBCUCAI-HKTJVKLFSA-N
DB09299,379270-37-8,Tenofovir alafenamide,approved,"['26952360', '30460547', '26859637', '26640223', '24508897', '27438578', '29158666']","['J05AR22', 'J05AR20', 'J05AR17', 'J05AF13', 'J05AR18', 'J05AR19']",D10428,1721603,,,4944,ZINC000100055899,CHEMBL2107825,,TENOFOVIR ALAFENAMIDE,90926,9574768,CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)OC1=CC=CC=C1,"InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1",LDEKQSIMHVQZJK-CAQYMETFSA-N
DB09300,7182-53-8,Butylscopolamine,"['vet_approved', 'approved', 'investigational']",17547475,"['A03DB04', 'A03BB01']",D01451,1085787,,,458,ZINC000100047075,CHEMBL1618102,,BUSCOLYSIN,145701,,CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1",YBCNXCRZPWQOBR-WVHCHWADSA-N
DB09301,24967-93-9,Chondroitin sulfate,"['approved', 'nutraceutical', 'investigational']","['22870459', '17644553', '7995679', '19814858', '17178194', '26428128']",M01AX25,D00080,2473,,,,,,,,,,,,
DB09302,1245916-14-6,Alirocumab,approved,"['26455563', '26563849', '26393853']",C10AX14,D10335,1659152,,,,,,,,,,,,
DB09303,1256937-27-5,Evolocumab,approved,"['26445204', '26293511']",C10AX13,D10557,1665684,,,,,,,,,,,,
DB09304,57262-94-9,Setiptiline,experimental,"['2806365', '3792961', '3774630']",,D08511,,,,2438,ZINC000001482169,CHEMBL2104895,,,135076,5205,CN1CCC2=C(C1)C1=CC=CC=C1CC1=CC=CC=C21,"InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3",GVPIXRLYKVFFMK-UHFFFAOYSA-N
DB09305,71576-40-4,Aptazapine,experimental,"['2896489', '6131367']",,,,,,,,CHEMBL336712,,,,51355,CN1CCN2C(C1)C1=CC=CN1CC1=C2C=CC=C1,"InChI=1S/C16H19N3/c1-17-9-10-19-14-6-3-2-5-13(14)11-18-8-4-7-15(18)16(19)12-17/h2-8,16H,9-12H2,1H3",MNHDDERDSNZCCK-UHFFFAOYSA-N
DB09306,54188-38-4,Metralindole,experimental,1884793,,,,,,3358,ZINC000100011469,CHEMBL1619017,,,135044,68713,COC1=CC2=C(C=C1)N1CCN(C)C3=NCCC2=C13,"InChI=1S/C15H17N3O/c1-17-7-8-18-13-4-3-10(19-2)9-12(13)11-5-6-16-15(17)14(11)18/h3-4,9H,5-8H2,1-2H3",GVXBHSBKKJRBMS-UHFFFAOYSA-N
DB09307,56433-44-4,Oxaprotiline,experimental,,,,,,,,,CHEMBL1213009,85218,,,38207,CNCC(O)CC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,"InChI=1S/C20H23NO/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20/h2-9,14-15,21-22H,10-13H2,1H3",FDXQKWSTUZCCTM-UHFFFAOYSA-N
DB09308,760981-83-7,Solithromycin,investigational,"['20211548', '15117934', '21075602', '20855725', '20022192', '19884376', '2017690']",J01FA16,,,,EM1,,ZINC000095627834,CHEMBL1232510,,SOLITHROMYCIN,,25242512,[H][C@]12N(CCCCN3C=C(N=N3)C3=CC(N)=CC=C3)C(=O)O[C@]1(C)[C@@]([H])(CC)OC(=O)[C@@](C)(F)C(=O)[C@]([H])(C)[C@@]([H])(O[C@]1([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]1([H])O)[C@@](C)(C[C@@]([H])(C)C(=O)[C@]2([H])C)OC,"InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1",IXXFZUPTQVDPPK-ZAWHAJPISA-N
DB09309,1392-21-8,Kitasamycin,experimental,,,,,,,,ZINC000085537070,CHEMBL2106399,,,34812,5282322,CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C,"InChI=1S/C40H67NO14/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3/b12-11+,15-13+/t23-,24-,25-,26+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1",IEMDOFXTVAPVLX-YWQHLDGFSA-N
DB09310,606138-08-3,Catridecacog,approved,"['22451421', '25031548', '27019464', '19141159']",B02BD11,D10532,1488293,,,,,,,,,,,,
DB09311,9003-97-8,Polycarbophil,experimental,6765389,,D03306,,,,,,,,,,,,,
DB09312,,Antilymphocyte immunoglobulin (horse),"['approved', 'investigational']","['25243623', '12783210', '25672649', '24907357']",L04AA03,D08808,1011,,,,,,,,,,,,
DB09313,59017-64-0,Ioxaglic acid,"['approved', 'investigational']",6999377,V08AB03,D01761,1426458,,,1472,,CHEMBL1201291,,IOXAGLATE SODIUM,31718,3742,CNC(=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C2I)=C(I)C(N(C)C(C)=O)=C1I,"InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)",TYYBFXNZMFNZJT-UHFFFAOYSA-N
DB09314,23288-61-1,Technetium Tc-99m pertechnetate,"['approved', 'investigational']",6308711,V09FX01,D08761,1489762,,,,,,,,,,O.O.O.O.[98Tc-],InChI=1S/4H2O.Tc/h4*1H2;/q;;;;-1/i;;;;1+1,ZTFPRNKAHXDALS-RCUQKECRSA-N
DB09315,14932-42-4,Xenon-133,approved,,V09EX03,,259282,,,4371,,CHEMBL1200685,,,,66376,[133Xe],InChI=1S/Xe/i1+2,FHNFHKCVQCLJFQ-NJFSPNSNSA-N
DB09316,7791-12-0,Thallous chloride,approved,,,,,,,,,,,,37117,167263,[Cl-].[Tl+],InChI=1S/ClH.Tl/h1H;/q;+1/p-1,GBECUEIQVRDUKB-UHFFFAOYSA-M
DB09317,,"Synthetic Conjugated Estrogens, A",approved,11865971,,,253166,,,,,,,,,,,,
DB09318,746658-13-9,"Synthetic Conjugated Estrogens, B",approved,21043366,,D05987,618365,,,,,,,,,,,,
DB09319,35531-88-5,Carindacillin,"['approved', 'investigational']",4558137,"['J01CR50', 'J01CA05']",,,,,508,,CHEMBL1596,,CARINDACILLIN,52015,93184,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)OC1=CC2=C(CCC2)C=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18?,19-,20+,23-/m1/s1",JIRBAUWICKGBFE-MNRDOXJOSA-N
DB09320,54-35-3,Procaine benzylpenicillin,"['vet_approved', 'approved']","['10895905', '7944023', '17472651']","['J01CE09', 'J01CR50']",,7983,,,,,CHEMBL1628385,,PFIZERPEN-AS,52154,25195395,CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O,"InChI=1S/C16H18N2O4S.C13H20N2O2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/t11-,12+,14-;/m1./s1",WHRVRSCEWKLAHX-LQDWTQKMSA-N
DB09321,1314-13-2,Zinc oxide,approved,6406699,C05AX04,D01170,11423,,,4240,,,,,36560,14806,O=[Zn],InChI=1S/O.Zn,XLOMVQKBTHCTTD-UHFFFAOYSA-N
DB09322,7733-02-0,Zinc sulfate,"['approved', 'investigational']",,"['A12CB01', 'C05AX04']",,39954,PA451971,,,,CHEMBL1200929,,ZINC SULFATE MONOHYDRATE,35176,24424,[Zn++].[O-]S([O-])(=O)=O,"InChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",NWONKYPBYAMBJT-UHFFFAOYSA-L
DB09324,68373-14-8,Sulbactam,approved,"['17630699', '14621983']",J01CG01,D02223,10167,,0RN,2492,ZINC000000897244,CHEMBL403,50021954,SULBACTAM SODIUM,9321,130313,[H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O,"InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1",FKENQMMABCRJMK-RITPCOANSA-N
DB09325,7681-49-4,Sodium fluoride,approved,"['21701194', '2339637', '21241981', '18514162', '26889098', '29085574', '27147921', '24719570', '20046469', '21701193']","['A01AA01', 'A12CD01', 'A01AA51']",,9873,PA451388,,,,CHEMBL1528,,SODIUM FLUORIDE F 18,28741,5235,[F-].[Na+],InChI=1S/FH.Na/h1H;/q;+1/p-1,PUZPDOWCWNUUKD-UHFFFAOYSA-M
DB09326,34819-78-8,Ammonia N-13,approved,,,,1305558,,,4472,,CHEMBL1201189,,,135980,119432,[13NH3],InChI=1S/H3N/h1H3/i1-1,QGZKDVFQNNGYKY-BJUDXGSMSA-N
DB09327,74578-38-4,Tegafur-uracil,"['approved', 'investigational']","['3139892', '28765689', '15280932', '12950123', '8400672']",,,,,,,,,,,,104747,O=C1NC=CC(=O)N1.FC1=CN(C2CCCO2)C(=O)NC1=O,"InChI=1S/C8H9FN2O3.C4H4N2O2/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,10,12,13);1-2H,(H2,5,6,7,8)",DHMYGZIEILLVNR-UHFFFAOYSA-N
DB09328,,Vayarin,"['approved', 'investigational']","['12608694', '14285489', '23312676', '10984109']",,,,,,,,,,,,,,,
DB09329,1628187-15-4,"Antihemophilic factor (recombinant), PEGylated","['approved', 'investigational']","['27382347', '29359417', '15327526', '23398640', '22282697', '6424437']",,,1741397,,,,,,,,,,,,
DB09330,1421373-65-0,Osimertinib,approved,"['25611025', '26015938', '26522274', '26620497', '26729184', '26169963', '26370354', '15118073', '24893891']",L01XE35,,1721560,PA166131626,YY3,5062,ZINC000098023177,CHEMBL3353410,50029668,OSIMERTINIB MESILATE,90943,71496458,COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C,"InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)",DUYJMQONPNNFPI-UHFFFAOYSA-N
DB09331,945721-28-8,Daratumumab,approved,"['26729183', '20608753', '21109694', '26137203', '21187443']",L01XC24,,1721947,,,,,,,,,,,,
DB09332,131-13-5,Kappadione,approved,"['17088248', '18374191']",,,,,,,,,,,,8555,[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1,"InChI=1S/C11H12O8P2.4Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4",GZBACHSOZNEZOG-UHFFFAOYSA-J
DB09333,5587-89-3,Iopodic acid,"['withdrawn', 'approved', 'investigational']","['7608275', '20641974', '1687043', '11344170']","['V08AC08', 'V08AC10']",,5976,,,1474,,CHEMBL3306201,,,,5241,CN(C)C=NC1=C(I)C=C(I)C(CCC(O)=O)=C1I,"InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)",YQNFBOJPTAXAKV-UHFFFAOYSA-N
DB09334,39295-97-1,Seractide acetate,approved,,,,1999801,,,4821,,,,,,,,,
DB09335,146961-76-4,Alatrofloxacin,"['withdrawn', 'approved']",,,,141440,,,102,ZINC000100067477,CHEMBL1201197,,,135829,,[H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O,"InChI=1S/C26H25F3N6O5/c1-10(30)24(37)31-11(2)25(38)32-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)33-23)19-4-3-12(27)5-17(19)28/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40)/t10-,11-,14-,15+,20+/m0/s1",UUZPPAMZDFLUHD-VUJLHGSVSA-N
DB09336,165942-79-0,Technetium Tc-99m nofetumomab merpentan,"['withdrawn', 'approved']",9298295,,,,,,,,,,,,,,,
DB09337,132259-10-0,Medical air,"['vet_approved', 'approved']",,V03AN05,,411,,,,,,,,,,,,
DB09338,486-67-9,Mersalyl,experimental,"['1850465', '2818621', '7408902']",C03BC01,,6774,,,,,,,,6771,101318324,COC(CNC(=O)C1=CC=CC=C1OCC(O)=O)C[Hg]O,"InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1",HQRSUIDICNOLPX-UHFFFAOYSA-M
DB09339,138661-00-4,Indium In-111 imciromab pentetate,withdrawn,,,,,,,,,,,,,,,,
DB09340,27293-82-9,Tyropanoic acid,approved,6618819,V08AC09,,,,,2785,,CHEMBL1201261,,,135862,5611,CCCC(=O)NC1=C(I)C=C(I)C(CC(CC)C(O)=O)=C1I,"InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)",YMOXVLQZFAUUKI-UHFFFAOYSA-N
DB09341,,"Dextrose, unspecified form","['vet_approved', 'approved']","['12626323', '6345242', '11716754', '20009031', '736717', '21147888', '26176916', '13143092', '24587162']",,,,,,,,,,,,,,,
DB09342,86-43-1,Propoxycaine,approved,"['19897799', '18407836']",,,,,,3496,ZINC000001530942,CHEMBL1195,50225492,PROPOXYCAINE HYDROCHLORIDE,8496,6843,CCCOC1=CC(N)=CC=C1C(=O)OCCN(CC)CC,"InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",CAJIGINSTLKQMM-UHFFFAOYSA-N
DB09343,183204-74-2,Tipiracil,"['approved', 'investigational']","['26428513', '23182191', '29056855', '12639965', '26918279', '26787503', '28111727', '27162472']",,,1670304,,,4893,ZINC000100032379,CHEMBL235668,50531739,TIPIRACIL,90879,6323266,ClC1=C(CN2CCCC2=N)NC(=O)NC1=O,"InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)",QQHMKNYGKVVGCZ-UHFFFAOYSA-N
DB09344,8013-17-0,Invert sugar,experimental,"['13114922', '19064536', '736717', '736723', '13120839']",C05BB03,,27712,,,,,,,,,,,,
DB09345,140-65-8,Pramocaine,approved,,"['C05AD07', 'D04AB07']",,34347,,PX9,3487,ZINC000019594594,CHEMBL1198,50225493,TRONOTHANE,8357,4886,CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1,"InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3",DQKXQSGTHWVTAD-UHFFFAOYSA-N
DB09346,1949-45-7,Metrizoic acid,approved,790454,V08AA02,,,,,1789,ZINC000003831116,CHEMBL1736,,,34847,2528,CN(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,"InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)",GGGDNPWHMNJRFN-UHFFFAOYSA-N
DB09347,85-36-9,Acetrizoic acid,withdrawn,"['13108780', '20641970']",V08AA07,D02457,,,,63,ZINC000003830175,CHEMBL1201327,,,34521,6806,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C=C1I,"InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)",GNOGSFBXBWBTIG-UHFFFAOYSA-N
DB09348,57-57-8,Propiolactone,"['withdrawn', 'approved']","['5649055', '21863089', '14417982', '21868382']",,D05630,1311565,,,3495,ZINC000001482154,CHEMBL1200627,,PROPIOLACTONE,49073,2365,O=C1CCO1,InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,VEZXCJBBBCKRPI-UHFFFAOYSA-N
DB09349,,Gastric intrinsic factor,"['experimental', 'approved']",,,,5920,,,,,,,,,,,,
DB09350,51-03-6,Piperonyl butoxide,"['vet_approved', 'approved']","['20727129', '11843643', '8132164', '24738222', '12353201', '26530989', '22429458']",,D08383,8345,,,4276,ZINC000003875342,CHEMBL1201131,181115,PIPERONYL BUTOXIDE,32687,5794,CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC,"InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3",FIPWRIJSWJWJAI-UHFFFAOYSA-N
DB09351,93221-48-8,Levobetaxolol,"['approved', 'investigational']",,,,353497,,,4752,ZINC000001530567,CHEMBL1201274,25752,LEVOBETAXOLOL,59254,60657,CC(C)NC[C@H](O)COC1=CC=C(CCOCC2CC2)C=C1,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1",NWIUTZDMDHAVTP-KRWDZBQOSA-N
DB09352,103-86-6,Hydroxyamphetamine,approved,,,,7839,,,1394,,CHEMBL1546,81459,HYDROXYAMFETAMINE HYDROBROMIDE,103855,3651,CC(N)CC1=CC=C(O)C=C1,"InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3",GIKNHHRFLCDOEU-UHFFFAOYSA-N
DB09353,10544-50-0,Octasulfur,approved,,,,,,PS9,,,,,,29385,66348,S1SSSSSSS1,InChI=1S/S8/c1-2-4-6-8-7-5-3-1,JLQNHALFVCURHW-UHFFFAOYSA-N
DB09355,127-71-9,Sulfabenzamide,approved,,,,37320,,BS4,3558,ZINC000005421253,CHEMBL1243,,,94677,5319,NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C1=CC=CC=C1,"InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)",PBCZLFBEBARBBI-UHFFFAOYSA-N
DB09356,,Protein hydrolysate,approved,,,,,,,,,,,,,,,,
DB09357,81-13-0,Dexpanthenol,approved,"['28503966', '14641355', '15225628']","['S01XA12', 'A11HA30', 'D03AX03']",D00193,22701,,,838,ZINC000001530303,CHEMBL1200979,50240013,DEXPANTHENOL,27373,131204,CC(C)(CO)[C@@H](O)C(=O)NCCCO,"InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1",SNPLKNRPJHDVJA-ZETCQYMHSA-N
DB09363,8063-17-0,Rauwolfia serpentina root,investigational,"['18205139', '25326172', '27108322']","['C02AA03', 'C02LA08']",,599,,,,,,,,,,,,
DB09364,60064-28-0,Procaine merethoxylline,approved,,,,,,,,,,,,,72710718,O.[Hg+].CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[CH2]C(CN=C(O)C1=CC=CC=C1OCC([O-])=O)OCCOC,"InChI=1S/C15H20NO6.C13H20N2O2.Hg.H2O/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);5-8H,3-4,9-10,14H2,1-2H3;;1H2/q;;+1;/p-1",XRCLWOYOVQUZLE-UHFFFAOYSA-M
DB09366,587-61-1,Propyliodone,approved,,V08AD03,D01755,8793,,,2306,ZINC000003831392,CHEMBL1200821,,,32064,4949,CCCOC(=O)CN1C=C(I)C(=O)C(I)=C1,"InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3",ROSXARVHJNYYDO-UHFFFAOYSA-N
DB09369,28014-46-2,Polyestradiol phosphate,approved,,L02AA02,D07434,34120,,,,,,,,,,,,
DB09370,7635-46-3,Sodium phosphate P 32,approved,,V10XX01,,91559,,,,,CHEMBL2107525,,,,71180,[Na+].[Na+].O[32P]([O-])([O-])=O,"InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2/i;;5+1",BNIILDVGGAEEIG-JCIGTKTHSA-L
DB09371,68-23-5,Norethynodrel,approved,,G03FA09,D05207,7515,,,1965,ZINC000118913164,CHEMBL1387,50410507,,34895,6231,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3,"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1",ICTXHFFSOAJUMG-SLHNCBLASA-N
DB09372,1401-55-4,Tannic acid,approved,,,,10328,,,,,,,,75211,16131300,OC1=CC(=CC(O)=C1O)C(=O)OC1=C(O)C(O)=CC(=C1)C(=O)OC[C@H]1OC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C(O)=C1,"InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76?/m1/s1",LRBQNJMCXXYXIU-YIILYMKVSA-N
DB09373,,Trolamine polypeptide oleate condensate,"['vet_approved', 'approved']",,,,,,,,,,,,,,,,
DB09374,28782-33-4,Indocyanine green acid form,"['approved', 'investigational']",26149724,,D01342,2199577,,,,ZINC000008101127,CHEMBL1615807,,,,9919342,CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS(O)(=O)=O)C3=C(C4=CC=CC=C4C=C3)C2(C)C)N(CCCCS(O)(=O)=O)C2=C1C1=CC=CC=C1C=C2,"InChI=1S/C43H48N2O6S2/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51)/p+1",BDBMLMBYCXNVMC-UHFFFAOYSA-O
DB09375,9004-07-3,Chymotrypsin,"['vet_approved', 'approved']","['19180666', '15923233', '9065485']","['S01KX01', 'B06AA04']",D03484,2530,,,,,,,,,,,,
DB09376,109260-82-4,Lapyrium,approved,27622819,,,28456,,,,ZINC000008214591,CHEMBL1201786,,,135534,22660,CCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1,"InChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3/p+1",UGJWZYARKOFRDB-UHFFFAOYSA-O
DB09377,1338-54-1,Undecoylium chloride iodine complex,approved,,,,,,,,,,,,,14930,[Cl-].CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1,"InChI=1S/C12H16N2O3.ClH/c1-2-12(16)17-9-6-13-11(15)10-14-7-4-3-5-8-14;/h3-5,7-8H,2,6,9-10H2,1H3;1H",OSCJJMKLQGAGML-UHFFFAOYSA-N
DB09378,53-34-9,Fluprednisolone,approved,613316,,D04227,4497,,,1216,ZINC000003875362,CHEMBL1200774,,FLUPREDNISOLONE,34474,5876,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1",MYYIMZRZXIQBGI-HVIRSNARSA-N
DB09379,12211-28-8,Sutilain,"['withdrawn', 'approved']",821152,,,227410,,,,,,,,,,,,
DB09380,10039-53-9,Sodium chromate Cr-51,approved,,,,91510,,,,,,,,,3080662,[Na+].[Na+].[O-][51Cr]([O-])(=O)=O,InChI=1S/Cr.2Na.4O/q;2*+1;;;2*-1/i1-1;;;;;;,PXLIDIMHPNPGMH-PJWPDVOUSA-N
DB09381,,Esterified estrogens,approved,,,,214549,,,,,,,,,,,,
DB09382,881-17-4,Iodohippurate sodium I-131,approved,,V09CX02,,91540,,,4828,,CHEMBL1200763,,,134740,23663553,[Na+].[O-]C(=O)CNC(=O)C1=C([131I])C=CC=C1,"InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10+4;",XYITYKDGJLHYPW-UDYUCQKZSA-M
DB09383,1247-42-3,Meprednisone,"['approved', 'investigational']",,H02AB15,,29523,,,1702,ZINC000004216862,CHEMBL1201148,,BETAPAR,135573,5284587,[H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1",PIDANAQULIKBQS-RNUIGHNZSA-N
DB09385,13115-03-2,Cyanocobalamin Co-57,approved,,,,91516,,,,,,,,,,[57Co+3].[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)/C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=[NH]C2=C1C=C(C)C(C)=C2,"InChI=1S/C62H91N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,70,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1/i;;1-2",FSCKVFYFBCQWRU-LFHMENBZSA-L
DB09387,13422-53-2,Cyanocobalamin Co-60,"['withdrawn', 'approved']",,,,,,,,,,,,,123133494,[60Co+3].[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)/C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1/i;;1+1",FDJOLVPMNUYSCM-BYCRCCONSA-L
DB09388,99689-97-1,Rose bengal I-131,approved,,,,,,,,ZINC000150340107,,,,,31833,OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C1=C2C=C([131I])C(=O)C([131I])=C2OC2=C([131I])C(O)=C([131I])C=C12,"InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)/i25+4,26+4,27+4,28+4",VDNLFJGJEQUWRB-CJXAGYTBSA-N
DB09389,6533-00-2,Norgestrel,approved,,"['G03FA10', 'G03FB01', 'G03AA06']",D00954,7518,,,,,,,,7630,4542,CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3",WWYNJERNGUHSAO-UHFFFAOYSA-N
DB09393,65072-01-7,Amino acids,investigational,,B05BA01,,,,,,,,,,,,,,
DB09394,7664-38-2,Phosphoric acid,approved,,,,8259,,,4478,,CHEMBL1187,14671,PHOSPHORIC ACID,26078,1004,OP(O)(O)=O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",NBIIXXVUZAFLBC-UHFFFAOYSA-N
DB09395,127-09-3,Sodium acetate,"['approved', 'investigational']",,B05XA08,,267453,PA451369,,,,CHEMBL1354,,SODIUM ACETATE ANHYDROUS,32954,517045,[Na+].CC([O-])=O,"InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",VMHLLURERBWHNL-UHFFFAOYSA-M
DB09397,,Technetium Tc-99m sulfur colloid,"['approved', 'investigational']","['26822231', '12927917', '2947769', '27349530']",V09DB05,D06048,1423270,,,,,,,,,76957057,[99Tc].S1SSSSSSS1,InChI=1S/S8.Tc/c1-2-4-6-8-7-5-3-1;/i;1+2,FJTPHHNWVXNMEK-NLQOEHMXSA-N
DB09398,67862-54-8,Fluoride ion F-18,approved,,V09IX06,,1546273,,,,,,,,,10197600,[18F-],InChI=1S/FH/h1H/p-1/i1-1,KRHYYFGTRYWZRS-BJUDXGSMSA-M
DB09400,1187-56-0,Selenomethionine Se-75,approved,,,,9133,,,,,CHEMBL1201054,,,,66254,C[75Se]CC[C@H](N)C(O)=O,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i9-4",RJFAYQIBOAGBLC-ZEMBQCNESA-N
DB09401,652-67-5,Isosorbide,"['approved', 'investigational']","['2886220', '32491771', '9076203', '3300979', '31424733', '2895614', '2905390']",,,6057,,,1501,ZINC000018284778,CHEMBL1200660,,AT-101,6060,12597,[H][C@]1(O)CO[C@]2([H])[C@]([H])(O)CO[C@]12[H],"InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1",KLDXJTOLSGUMSJ-JGWLITMVSA-N
DB09403,16034-77-8,Iocetamic acid,approved,,V08AC07,,183830,,,1451,,CHEMBL1200770,,,91662,27648,CC(CN(C(C)=O)C1=C(I)C=C(I)C(N)=C1I)C(O)=O,"InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)",GSVQIUGOUKJHRC-UHFFFAOYSA-N
DB09406,64461-80-9,Chlormerodrin Hg-197,approved,,,,,,,,,,,,,11954348,[Cl-].COC(C[197Hg+])CNC(N)=O,"InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1-4",BJFGVYCULWBXKF-WUYZZQIKSA-M
DB09407,7786-30-3,Magnesium chloride,approved,,"['B05XA11', 'A12CC01']",,1311539,,,,,CHEMBL2219642,,MAGNESIUM CHLORIDE HEXAHYDRATE,6636,24584,[Mg++].[Cl-].[Cl-],InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2,TWRXJAOTZQYOKJ-UHFFFAOYSA-L
DB09409,16674-78-5,Magnesium acetate tetrahydrate,approved,"['12663588', '23526071', '10930190', '9677392', '19621856', '10480467']",,,317246,,,,,CHEMBL3989858,,,,134717,O.O.O.O.[Mg++].CC([O-])=O.CC([O-])=O,"InChI=1S/2C2H4O2.Mg.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2",XKPKPGCRSHFTKM-UHFFFAOYSA-L
DB09411,63347-65-9,Technetium Tc-99m etidronate,approved,,,,,,,,,,,,,,[99Tc].CC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C2H8O7P2.Tc/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);/i;1+2",VEXMHRQGHKTMHQ-NLQOEHMXSA-N
DB09413,7778-77-0,Monopotassium phosphate,"['vet_approved', 'approved', 'investigational']",,,,34322,,,,,CHEMBL1200925,50004328,POTASSIUM PHOSPHATE MONOBASIC,63036,139036472,[K+].OP(O)([O-])=O,"InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",GNSKLFRGEWLPPA-UHFFFAOYSA-M
DB09414,7758-11-4,Dipotassium phosphate,approved,,,,55018,,,,,CHEMBL1200459,,DIBASIC POTASSIUM PHOSPHATE,131527,22481479,[K+].[K+].OP([O-])([O-])=O,"InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",ZPWVASYFFYYZEW-UHFFFAOYSA-L
DB09415,6284-40-8,Meglumine,approved,,,D01796,6704,,,5194,ZINC000002020259,CHEMBL1200570,,N-METHYLGLUCAMINE,59732,8567,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1",MBBZMMPHUWSWHV-BDVNFPICSA-N
DB09418,7778-74-7,Potassium perchlorate,"['approved', 'investigational']","['12140178', '18591883', '6272249', '11477312', '3020079']",H03BC01,,34318,,,,,CHEMBL1200696,,PERCHLORACAP,,24505,[K+].[O-][Cl](=O)(=O)=O,"InChI=1S/ClHO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",YLMGFJXSLBMXHK-UHFFFAOYSA-M
DB09419,58-86-6,Xylose,approved,"['24741154', '18490833', '3286361', '22685138', '6827177']",,,11378,,XLS,2854,ZINC000018168715,CHEMBL1236821,,,15936,644160,OC[C@@H](O)[C@H](O)[C@@H](O)C=O,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1",PYMYPHUHKUWMLA-VPENINKCSA-N
DB09420,69239-56-1,Iodide I-123,approved,,V09FX02,,1361657,,,,,,,,,135300,[123I-],InChI=1S/HI/h1H/p-1/i1-4,XMBWDFGMSWQBCA-AHCXROLUSA-M
DB09421,24305-27-9,Protirelin,"['approved', 'investigational']",,V04CJ02,D00176,10580,,,2316,ZINC000004096261,CHEMBL1472,50072394,ABBOTT-38579,35940,638678,[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O,"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1",XNSAINXGIQZQOO-SRVKXCTJSA-N
DB09422,8001-22-7,Soybean oil,approved,"['22488002', '16651709', '21832112', '20473991', '26630252', '20531018']",,,9949,,,,,,,,,,,,
DB09423,,Technetium Tc-99m polyphosphate,approved,,,,,,,,,,,,,,,,
DB09425,135998-32-2,Indium In-111 pentetate,approved,,V09AX01,D04527,,,,,,,,,,76967078,[111In+3].OC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC(O)=O,"InChI=1S/C14H23N3O10.In/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3/i;1-4",BLALCKLYSDDAOC-JWFOFJTQSA-K
DB09429,,Albumin iodinated I-125 serum,approved,,,,317177,,,,,,,,,,,,
DB09430,,Albumin iodinated I-131 serum,approved,,,,314301,,,,,,,,,,,,
DB09443,15678-91-8,Krypton Kr 81m,approved,,V09EX01,,,,,4584,,CHEMBL1201096,,,136002,66380,[81Kr],InChI=1S/Kr/i1-3,DNNSSWSSYDEUBZ-OIOBTWANSA-N
DB09446,8001-23-8,Safflower oil,"['approved', 'investigational']","['21295383', '10923778', '7595099', '17466237']",,,9515,,,,,,,,,,,,
DB09447,,Technetium Tc-99m albumin colloid,"['experimental', 'approved']",,,,,,,,,,,,,,,,
DB09448,56254-07-0,Iodohippurate sodium I-123,approved,,V09CX01,,91551,,,,,CHEMBL1200439,,,,23667636,[Na+].[O-]C(=O)CNC(=O)C1=CC=CC=C1[123I],"InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10-4;",XYITYKDGJLHYPW-TWDNZPFZSA-M
DB09449,7558-80-7,"Sodium phosphate, monobasic",approved,"['23398154', '20958267', '19298584', '18645612', '17652123']","['A06AG01', 'B05XA09', 'A06AD17']",,,,,,,CHEMBL1368,,"SODIUM PHOSPHATE, MONOBASIC, ANHYDROUS",37585,21226420,[Na+].OP(O)([O-])=O,"InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",AJPJDKMHJJGVTQ-UHFFFAOYSA-M
DB09456,11070-73-8,Insulin beef,approved,,"['A10AE02', 'A10AD02', 'A10AC02', 'A10AB02']",,,,,,,,,,,,,,
DB09459,87-69-4,L-tartaric acid,experimental,891842,,,37578,,TLA,2566,ZINC000000895301,CHEMBL1236315,,L-TARTARIC ACID,15671,444305,O[C@H]([C@@H](O)C(O)=O)C(O)=O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1",FEWJPZIEWOKRBE-JCYAYHJZSA-N
DB09460,497-19-8,Sodium carbonate,approved,,,,36685,,,,,CHEMBL186314,,SODIUM CARBONATE,29377,516885,[Na+].[Na+].[O-]C([O-])=O,"InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CDBYLPFSWZWCQE-UHFFFAOYSA-L
DB09461,13994-19-9,Xenon Xe-127,approved,,,,,,,4370,,CHEMBL1200673,,,,166973,[127Xe],InChI=1S/Xe/i1-4,FHNFHKCVQCLJFQ-AHCXROLUSA-N
DB09462,56-81-5,Glycerin,"['approved', 'investigational']",,"['A06AX01', 'A06AG04']",D00028,4910,PA449783,GOL,1316,ZINC000000895048,CHEMBL692,,,17754,753,OCC(O)CO,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",PEDCQBHIVMGVHV-UHFFFAOYSA-N
DB09472,7757-82-6,Sodium sulfate,"['vet_approved', 'approved']","['6831833', '7264905']","['A06AD13', 'A12CA02']",D01732,1299926,,,,,CHEMBL233406,50101993,SODIUM SULFATE DECAHYDRATE,32149,139064522,[Na+].[Na+].[O-]S([O-])(=O)=O,"InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",PMZURENOXWZQFD-UHFFFAOYSA-L
DB09473,65389-08-4,Indium In-111 oxyquinoline,approved,824756,,D04526,1314372,,,,,,,,,119117,[111In+3].[O-]C1=CC=CC2=C1N=CC=C2.[O-]C1=CC=CC2=C1N=CC=C2.[O-]C1=CC=CC2=C1N=CC=C2,"InChI=1S/3C9H7NO.In/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3/i;;;1-4",AEGSYIKLTCZUEZ-FZTWWWDYSA-K
DB09477,76420-72-9,Enalaprilat,approved,"['6099737', '6301792']",,D03769,3829,,EAL,1006,ZINC000003812851,CHEMBL577,50367254,ENALAPRILAT,4786,5462501,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=O,"InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1",LZFZMUMEGBBDTC-QEJZJMRPSA-N
DB09479,,Rubidium Rb-82,"['approved', 'investigational']","['13035272', '26358083']",,,1546434,,,,,,,,,10176083,[82Rb+],InChI=1S/Rb/q+1/i1-3,NCCSSGKUIKYAJD-OIOBTWANSA-N
DB09480,75917-92-9,Iofetamine I-123,approved,,V09AB01,,,,,,,,,,31708,156375,CC(C)NC(C)CC1=CC=C([123I])C=C1,"InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/i13-4",ISEHJSHTIVKELA-DCWJVSPSSA-N
DB09481,546-93-0,Magnesium carbonate,"['approved', 'investigational']","['22261381', '26069819', '26446763']","['A06AD01', 'A02AA01', 'V03AE04']",,29155,,,,,CHEMBL1200736,,MAGNESIUM CARBONATE,31793,521529,[Mg++].[O-]C([O-])=O,"InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",ZLNQQNXFFQJAID-UHFFFAOYSA-L
DB09483,996-31-6,Potassium lactate,approved,,B05XA15,,314797,,,,,CHEMBL1200664,,POTASSIUM LACTATE,,23671663,[K+].CC(O)C([O-])=O,"InChI=1S/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",PHZLMBHDXVLRIX-UHFFFAOYSA-M
DB09484,10163-15-2,Sodium fluorophosphate,approved,,"['A12CD02', 'A01AA02']",D05864,56501,,,,,CHEMBL1908359,,SODIUM MONOFLUOROPHOSPHATE,86431,24266,[Na+].[Na+].[O-]P([O-])(F)=O,"InChI=1S/FH2O3P.2Na/c1-5(2,3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",BFDWBSRJQZPEEB-UHFFFAOYSA-L
DB09487,79770-24-4,Iotrolan,approved,,V08AB06,D01714,51474,,,1470,,CHEMBL1200555,,,31715,3738,CN(C(=O)CC(=O)N(C)C1=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I)C1=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I,"InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)",XUHXFSYUBXNTHU-UHFFFAOYSA-N
DB09488,87848-99-5,Acrivastine,approved,,R06AX18,D02760,19959,,,82,ZINC000003776633,CHEMBL1224,50487466,,83168,5284514,[H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O,"InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+",PWACSDKDOHSSQD-IUTFFREVSA-N
DB09490,50800-85-6,Indium In-111 chloride,approved,,,,42987,,,,,,,,,6452255,Cl[111In](Cl)Cl,InChI=1S/3ClH.In/h3*1H;/q;;;+3/p-3/i;;;1-4,PSCMQHVBLHHWTO-FZTWWWDYSA-K
DB09493,,Technetium Tc-99m red blood cells,approved,"['1992026', '6089353', '8674366']",,,1729152,,,,,,,,,,,,
DB09494,36653-82-4,Cetyl alcohol,approved,,,,20615,,PL3,4750,ZINC000008214519,CHEMBL706,,CETANOL,16125,2682,CCCCCCCCCCCCCCCCO,"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",BXWNKGSJHAJOGX-UHFFFAOYSA-N
DB09495,70356-09-1,Avobenzone,"['approved', 'investigational']",,,,45045,,,4242,ZINC000000000973,CHEMBL1200522,,PARSOL 1789,134751,51040,COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3",XNEFYCZVKIDDMS-UHFFFAOYSA-N
DB09496,5466-77-3,Octinoxate,"['approved', 'investigational']","['20071424', '25885102', '15908756', '23320122', '22787399', '15191542', '15833384', '24376350']",D02BA02,D05225,13369,,,4236,,CHEMBL1200608,,,88667,5355130,[H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC,"InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+",YBGZDTIWKVFICR-JLHYYAGUSA-N
DB09498,38270-90-5,Strontium chloride Sr-89,"['approved', 'investigational']","['11456379', '25298863', '7684862', '1613572', '2477119', '8799520', '2049251', '7684554', '1716935', '1379058', '1717094', '26161144', '27042152']",V10BX01,,281890,,,,,CHEMBL1200625,,,,71435,[Cl-].[Cl-].[89Sr++],InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2/i;;1+1,AHBGXTDRMVNFER-FCHARDOESA-L
DB09499,13686-28-7,Thiosulfuric acid,"['approved', 'investigational']",,,,,,,,ZINC000008214573,CHEMBL1208642,,SODIUM THIOSULFATE,5587,24478,OS(O)(=O)=S,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)",DHCDFWKWKRSZHF-UHFFFAOYSA-N
DB09501,1185-57-5,Ferric ammonium citrate,"['experimental', 'approved']",,V08CA07,,24897,,,,,,,,,118984355,N.[Fe+3].OC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;",FRHBOQMZUOWXQL-UHFFFAOYSA-N
DB09502,63503-12-8,Fludeoxyglucose (18F),"['approved', 'investigational']","['26159590', '7848128', '15883258']",V09IX04,,1362737,,,,ZINC000100079041,CHEMBL1808698,,,49136,68614,[H]C(=O)[C@H]([18F])[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1/i7-1",AOYNUTHNTBLRMT-MXWOLSILSA-N
DB09507,171544-35-7,Ferumoxsil,"['experimental', 'approved']",,V08CB01,,77754,,,,,,,,,,,,
DB09508,,Ferumoxides,approved,,,,72901,,,,,,,,,,,,
DB09510,58069-82-2,Urea C-13,approved,"['8017360', '25632206']",V04CX05,D01749,226724,,,4323,,CHEMBL2096648,,,32285,636363,N[13C](N)=O,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1",XSQUKJJJFZCRTK-OUBTZVSYSA-N
DB09511,14807-96-6,Talc,approved,,,D01084,10323,,,,,,,,,122173976,[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Mg++].[Mg++].[Si+4].[Si+4].[Si+4].[Si+4].[O-][H].[O-][H],InChI=1S/3Mg.2H2O.10O.4Si/h;;;2*1H2;;;;;;;;;;;;;;/q3*+2;;;10*-2;4*+4/p-2,JACYTZHPXAPJCY-UHFFFAOYSA-L
DB09512,8050-81-5,Simethicone,approved,"['19554657', '32310457', '21000061']",,,9796,,,,,,,,,6433516,O=[Si]=O.CO[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C6H18O2Si2.O2Si/c1-7-10(5,6)8-9(2,3)4;1-3-2/h1-6H3;",AMTWCFIAVKBGOD-UHFFFAOYSA-N
DB09513,594-05-8,Urea C-14,approved,"['8017360', '25632206']",,,253158,,,5147,,CHEMBL2096635,,,134711,11457650,N[14C](N)=O,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+2",XSQUKJJJFZCRTK-NJFSPNSNSA-N
DB09516,150-76-5,Mequinol,approved,"['21144881', '2587513']",D11AX06,,15080,,4KS,4221,ZINC000000001684,CHEMBL544,,,69441,9015,COC1=CC=C(O)C=C1,"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",NWVVVBRKAWDGAB-UHFFFAOYSA-N
DB09517,34089-81-1,Sodium ferric gluconate complex,approved,"['15971073', '10070910', '17942782', '17296819', '11778670']",,,261435,,,,,,,,,76968835,[O--].[O--].[O--].[Na+].[Fe+3].[Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,"InChI=1S/5C12H22O11.C6H12O7.2Fe.Na.3O/c5*13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;/h5*4-11,13-20H,1-3H2;2-5,7-11H,1H2,(H,12,13);;;;;;/q;;;;;;2*+3;+1;3*-2/p-1/t5*4-,5-,6-,7-,8+,9-,10+,11-,12+;2-,3-,4+,5-;;;;;;/m111111....../s1",MQBDAEHWGRMADS-XNHLMZCASA-M
DB09526,123-31-9,Hydroquinone,"['approved', 'investigational']","['27521610', '27515134', '27372064', '1220808']",D11AX11,D00073,5509,PA449924,HQE,3282,ZINC000005133378,CHEMBL537,26190,SOLAQUIN FORTE,17594,785,OC1=CC=C(O)C=C1,"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H",QIGBRXMKCJKVMJ-UHFFFAOYSA-N
DB09527,17034-35-4,Secretin porcine,approved,,,D02021,,,,5198,,,,,,,,,
DB09531,355-42-0,Perflexane,approved,,,,1540828,,,3429,ZINC000006827705,CHEMBL1200607,,PERFLEXANE,39427,9639,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20",ZJIJAJXFLBMLCK-UHFFFAOYSA-N
DB09532,108153-74-8,Secretin human,approved,"['20944548', '6168511', '25332973', '24906040']",V04CK01,,606396,,,2548,,,,,,,,,
DB09534,92761-26-7,Ecamsule,approved,"['1320278', '9729050', '9745729', '14528058']",,,1544124,,,3171,,CHEMBL3989850,,MEXORYL,135830,146382,CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2=CC1=CC=C(C=C2C3CCC(CS(O)(=O)=O)(C2=O)C3(C)C)C=C1,"InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)",HEAHZSUCFKFERC-UHFFFAOYSA-N
DB09535,6197-30-4,Octocrylene,"['approved', 'investigational']",17015167,,,77674,,,3395,,CHEMBL1201147,74416,OCTOCRYLENE,135526,22571,CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3",FMJSMJQBSVNSBF-UHFFFAOYSA-N
DB09536,13463-67-7,Titanium dioxide,approved,15742364,,,38323,,,4237,,,,,32234,26042,O=[Ti]=O,InChI=1S/2O.Ti,GWEVSGVZZGPLCZ-UHFFFAOYSA-N
DB09537,845736-10-9,Iodine povacrylex,approved,,,,692863,,,,,,,,,,,,
DB09539,308081-97-2,Omega-3-acid ethyl esters,"['approved', 'investigational']","['26097787', '24184945']",,,484348,,,,,,,,,,,,
DB09543,119-36-8,Methyl salicylate,"['vet_approved', 'approved']","['25425092', '20171409', '27729775', '24712652', '25411557', '15033879', '26973745']",,D01087,29787,,,4245,ZINC000000000490,CHEMBL108545,,METHYL SALICYLATE,31832,4133,COC(=O)C1=CC=CC=C1O,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",OSWPMRLSEDHDFF-UHFFFAOYSA-N
DB09546,80663-95-2,Iobenguane sulfate I-123,"['approved', 'investigational']",,,,1427223,,,,,CHEMBL3989523,,,,56840904,OS(O)(=O)=O.NC(=N)NCC1=CC([123I])=CC=C1.NC(=N)NCC1=CC([123I])=CC=C1,"InChI=1S/2C8H10IN3.H2O4S/c2*9-7-3-1-2-6(4-7)5-12-8(10)11;1-5(2,3)4/h2*1-4H,5H2,(H4,10,11,12);(H2,1,2,3,4)/i2*9-4;",XNACDNPGABUBFR-FKNPGSCZSA-N
DB09550,1336-20-5,Tetracycline phosphate complex,approved,,,,2105975,,,,,,,,,,[Na+].OP(=O)=O.OP(=O)=O.OP(=O)=O.OP(=O)=O.OP(=O)=O.[O-]P(=O)=O.[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O.[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O.[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O.[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O.[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,"InChI=1S/5C22H24N2O8.Na.6HO3P/c5*1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;;6*1-4(2)3/h5*4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);;6*(H,1,2,3)/q;;;;;+1;;;;;;/p-1/t5*9-,10-,15-,21+,22-;;;;;;;/m00000......./s1",DKNFPOTZPZOJHC-LBTQIPEASA-M
DB09551,9003-98-9,Desoxyribonuclease,approved,"['19873197', '15406373']","['B06AA10', 'B06AA02']",,3210,,,,,,,,,,,,
DB09552,25466-36-8,Thonzonium,approved,"['26906912', '20571174']",,,237058,,,,ZINC000008035268,CHEMBL1201322,59083,,94514,5456,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C1=NC=CC=N1,"InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1",IOYZYMQFUSNATM-UHFFFAOYSA-N
DB09555,2438-32-6,Dexchlorpheniramine maleate,approved,"['20680237', '7106172', '9231341', '10368923', '10897096']",,,54828,,,,,CHEMBL1200927,50247890,,4465,5281070,OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1",DBAKFASWICGISY-DASCVMRKSA-N
DB09559,906805-06-9,Necitumumab,"['approved', 'investigational']","['25701169', '26729188', '20197484', '15757893']",L01XC22,D10018,1723738,,,,,,,,,,,,
DB09561,1334-74-3,Sodium glycerophosphate,approved,21986180,B05XA14,,1595589,,,,,,,,,86769358,[Na+].[Na+].OCC(O)COP([O-])([O-])=O,"InChI=1S/C3H9O6P.2Na/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",GEKBIENFFVFKRG-UHFFFAOYSA-L
DB09563,94793-58-5,Choline C-11,approved,,,,1425419,,,4635,,,,,72322,449688,C[N+](C)([11CH3])CCO,"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1/i1-1",OEYIOHPDSNJKLS-BJUDXGSMSA-N
DB09564,844439-96-9,Insulin degludec,approved,"['26457056', '22485010', '22826637', '22521072', '25179915']","['A10AD06', 'A10AE56', 'A10AE06']",D09727,1670007,,,,,,,,,,,,
DB09567,8001-25-0,Olive oil,approved,,,,1309250,,,,,,,,,,,,
DB09568,,Omega-3-carboxylic acids,"['approved', 'investigational']","['25387209', '23525082', '28003756']",,,1652071,,,,,,,,,,,,
DB09570,1072833-77-2,Ixazomib,"['approved', 'investigational']","['26138345', '25302026']",L01XX50,D10130,1723735,,6V8,5067,ZINC000169946773,CHEMBL2141296,50398609,MLN-2238,90942,25183872,CC(C)C[C@H](NC(=O)CNC(=O)C1=CC(Cl)=CC=C1Cl)B(O)O,"InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1",MXAYKZJJDUDWDS-LBPRGKRZSA-N
DB09571,33817-09-3,Levmetamfetamine,approved,,,,1314416,,,4641,ZINC000008466459,CHEMBL1927030,50359500,LEVMETAMFETAMINE,136013,36604,CN[C@H](C)CC1=CC=CC=C1,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1",MYWUZJCMWCOHBA-SECBINFHSA-N
DB09876,,Clostridium tetani,approved,,,,,,,,,,,,,,,,
DB09877,,Corynebacterium diphtheriae,"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB10061,,"Meningococcal (groups A, C, Y and W-135) oligosaccharide diphtheria CRM197 conjugate vaccine",approved,,,,,,,,,,,,,,,,
DB10062,,"Rabies virus inactivated antigen, B",approved,,J06AA06,,830464,,,,,,,,,,,,
DB10076,,Haemophilus influenzae type B strain 1482 capsular polysaccharide tetanus toxoid conjugate antigen,"['approved', 'investigational']",,,,1300464,,,,,,,,,,,,
DB10276,,Rotavirus vaccine,approved,,J07BH01,,,,,,,,,,,,,,
DB10283,,"Rabies virus inactivated antigen, A","['approved', 'investigational']",,J06AA06,,830457,,,,,,,,,,,,
DB10284,,Neisseria meningitidis serogroup B recombinant LP2086 A05 protein variant antigen,approved,,,,1593127,,,,,,,,,,,,
DB10285,,Neisseria meningitidis serogroup B recombinant LP2086 B01 protein variant antigen,approved,,,,1593130,,,,,,,,,,,,
DB10286,,Streptococcus pneumoniae type 4 capsular polysaccharide diphtheria CRM197 protein conjugate antigen,"['approved', 'investigational']",,,,798228,,,,,,,,,,,,
DB10287,,Streptococcus pneumoniae type 6B capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,798230,,,,,,,,,,,,
DB10288,,Streptococcus pneumoniae type 9V capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,798232,,,,,,,,,,,,
DB10289,,Streptococcus pneumoniae type 14 capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,798220,,,,,,,,,,,,
DB10290,,Streptococcus pneumoniae type 18C capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,798222,,,,,,,,,,,,
DB10291,,Streptococcus pneumoniae type 19F capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,798224,,,,,,,,,,,,
DB10292,,Streptococcus pneumoniae type 23F capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,798226,,,,,,,,,,,,
DB10293,,Streptococcus pneumoniae type 1 capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,901620,,,,,,,,,,,,
DB10294,,Streptococcus pneumoniae type 3 capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,901628,,,,,,,,,,,,
DB10295,,Streptococcus pneumoniae type 5 capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,901631,,,,,,,,,,,,
DB10296,,Streptococcus pneumoniae type 6A capsular polysaccharide diphtheria CRM197 protein conjugate antigen,"['approved', 'investigational']",,,,901633,,,,,,,,,,,,
DB10297,,Streptococcus pneumoniae type 7F capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,901636,,,,,,,,,,,,
DB10298,,Streptococcus pneumoniae type 19A capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,901624,,,,,,,,,,,,
DB10299,,Human papillomavirus type 6 L1 capsid protein antigen,"['approved', 'investigational']",,,,798268,,,,,,,,,,,,
DB10300,,Human papillomavirus type 11 L1 capsid protein antigen,approved,,,,798262,,,,,,,,,,,,
DB10301,,Human papillomavirus type 16 L1 capsid protein antigen,"['approved', 'investigational']",,,,798264,,,,,,,,,,,,
DB10302,,Human papillomavirus type 18 L1 capsid protein antigen,"['approved', 'investigational']",,,,798266,,,,,,,,,,,,
DB10310,,Human papillomavirus type 31 L1 capsid protein antigen,approved,,,,1596930,,,,,,,,,,,,
DB10311,,Human papillomavirus type 33 L1 capsid protein antigen,approved,,,,1596931,,,,,,,,,,,,
DB10312,,Human papillomavirus type 45 L1 capsid protein antigen,approved,,,,1596932,,,,,,,,,,,,
DB10313,,Human papillomavirus type 52 L1 capsid protein antigen,approved,,,,1596933,,,,,,,,,,,,
DB10314,,Human papillomavirus type 58 L1 capsid protein antigen,approved,,,,1596934,,,,,,,,,,,,
DB10315,,Measles virus vaccine live attenuated,"['approved', 'investigational']",,,,804179,,,,,,,,,,,,
DB10316,,Mumps virus strain B level jeryl lynn live antigen,"['approved', 'investigational']",,,,798372,,,,,,,,,,,,
DB10317,,Rubella virus vaccine,"['approved', 'investigational']",,"['J07BD53', 'J07BD52', 'J07BJ51', 'J07BD51', 'J07BD54', 'J07BJ01']",,9486,,,,,,,,,,,,
DB10318,,Varicella zoster vaccine (live/attenuated),approved,28426274,,,1292422,,,,,,,,,,,,
DB10319,,Streptococcus pneumoniae type 1 capsular polysaccharide antigen,approved,,,,854930,,,,,,,,,,,,
DB10320,,Streptococcus pneumoniae type 2 capsular polysaccharide antigen,"['approved', 'investigational']",,,,854950,,,,,,,,,,,,
DB10321,,Streptococcus pneumoniae type 3 capsular polysaccharide antigen,"['approved', 'investigational']",,,,854958,,,,,,,,,,,,
DB10322,,Streptococcus pneumoniae type 4 capsular polysaccharide antigen,"['approved', 'investigational']",,,,854962,,,,,,,,,,,,
DB10323,,Streptococcus pneumoniae type 5 capsular polysaccharide antigen,"['approved', 'investigational']",,,,854964,,,,,,,,,,,,
DB10324,,Streptococcus pneumoniae type 6b capsular polysaccharide antigen,"['approved', 'investigational']",,,,854966,,,,,,,,,,,,
DB10325,,Streptococcus pneumoniae type 7f capsular polysaccharide antigen,"['approved', 'investigational']",,,,854968,,,,,,,,,,,,
DB10326,,Streptococcus pneumoniae type 8 capsular polysaccharide antigen,"['approved', 'investigational']",,,,854970,,,,,,,,,,,,
DB10327,,Streptococcus pneumoniae type 9n capsular polysaccharide antigen,"['approved', 'investigational']",,,,854972,,,,,,,,,,,,
DB10328,,Streptococcus pneumoniae type 9v capsular polysaccharide antigen,"['approved', 'investigational']",,,,854974,,,,,,,,,,,,
DB10329,,Streptococcus pneumoniae type 10a capsular polysaccharide antigen,"['approved', 'investigational']",,,,854932,,,,,,,,,,,,
DB10330,,Streptococcus pneumoniae type 11a capsular polysaccharide antigen,"['approved', 'investigational']",,,,854934,,,,,,,,,,,,
DB10331,,Streptococcus pneumoniae type 12f capsular polysaccharide antigen,"['approved', 'investigational']",,,,854936,,,,,,,,,,,,
DB10332,,Streptococcus pneumoniae type 14 capsular polysaccharide antigen,"['approved', 'investigational']",,,,854938,,,,,,,,,,,,
DB10333,,Streptococcus pneumoniae type 15b capsular polysaccharide antigen,"['approved', 'investigational']",,,,854940,,,,,,,,,,,,
DB10334,,Streptococcus pneumoniae type 17f capsular polysaccharide antigen,"['approved', 'investigational']",,,,854942,,,,,,,,,,,,
DB10335,,Streptococcus pneumoniae type 18c capsular polysaccharide antigen,"['approved', 'investigational']",,,,854944,,,,,,,,,,,,
DB10336,,Streptococcus pneumoniae type 19f capsular polysaccharide antigen,"['approved', 'investigational']",,,,854948,,,,,,,,,,,,
DB10337,,Streptococcus pneumoniae type 19a capsular polysaccharide antigen,"['approved', 'investigational']",,,,854946,,,,,,,,,,,,
DB10338,,Streptococcus pneumoniae type 20 capsular polysaccharide antigen,"['approved', 'investigational']",,,,854952,,,,,,,,,,,,
DB10339,,Streptococcus pneumoniae type 22f capsular polysaccharide antigen,"['approved', 'investigational']",,,,854954,,,,,,,,,,,,
DB10340,,Streptococcus pneumoniae type 23f capsular polysaccharide antigen,"['approved', 'investigational']",,,,854956,,,,,,,,,,,,
DB10341,,Streptococcus pneumoniae type 33f capsular polysaccharide antigen,"['approved', 'investigational']",,,,854960,,,,,,,,,,,,
DB10342,,Haemophilus influenzae type B capsular polysaccharide meningococcal outer membrane protein conjugate antigen,"['approved', 'investigational']",,,,798444,,,,,,,,,,,,
DB10343,,Bacillus calmette-guerin substrain tice live antigen,approved,,,,221050,,,,,,,,,,,,
DB10344,,Ginger,approved,,,,899420,,,,,,,,,,,,
DB10345,,House dust,approved,,,,852519,,,,,,,,,,,,
DB10346,,Acacia longifolia pollen,approved,,,,895365,,,,,,,,,,,,
DB10348,,Fraxinus americana pollen,approved,,,,852450,,,,,,,,,,,,
DB10349,,Paspalum notatum pollen,approved,,,,852673,,,,,,,,,,,,
DB10350,,Fagus grandifolia pollen,approved,,,,852419,,,,,,,,,,,,
DB10351,,Cynodon dactylon pollen,approved,,,,851906,,,,,,,,,,,,
DB10352,,Betula lenta pollen,approved,,,,852144,,,,,,,,,,,,
DB10353,,Poa annua pollen,approved,,,,898404,,,,,,,,,,,,
DB10354,,Acer negundo pollen,approved,,,,851740,,,,,,,,,,,,
DB10355,,Bromus inermis pollen,approved,,,,852217,,,,,,,,,,,,
DB10356,,Xanthium strumarium pollen,approved,,,,852025,,,,,,,,,,,,
DB10357,,Zea mays pollen,approved,,,,852015,,,,,,,,,,,,
DB10359,,Rumex acetosella pollen,approved,,,,852213,,,,,,,,,,,,
DB10360,,Rumex crispus pollen,approved,,,,852209,,,,,,,,,,,,
DB10361,,Ulmus americana pollen,approved,,,,852054,,,,,,,,,,,,
DB10362,,Ulmus pumila pollen,approved,,,,1299981,,,,,,,,,,,,
DB10363,,Corylus americana pollen,approved,,,,852281,,,,,,,,,,,,
DB10364,,Carya ovata pollen,approved,,,,852221,,,,,,,,,,,,
DB10365,,Sorghum halepense pollen,approved,,,,852136,,,,,,,,,,,,
DB10366,,Poa pratensis pollen,approved,,,,852834,,,,,,,,,,,,
DB10368,,Chenopodium album pollen,approved,,,,852237,,,,,,,,,,,,
DB10369,,Acer saccharum pollen,approved,,,,851874,,,,,,,,,,,,
DB10370,,Festuca pratensis pollen,approved,,,,851918,,,,,,,,,,,,
DB10371,,Prosopis juliflora pollen,approved,,,,852320,,,,,,,,,,,,
DB10372,,Artemisia vulgaris pollen,approved,,,,852029,,,,,,,,,,,,
DB10373,,Morus rubra pollen,approved,,,,852680,,,,,,,,,,,,
DB10374,,Quercus agrifolia pollen,approved,,,,852302,,,,,,,,,,,,
DB10375,,Quercus virginiana pollen,approved,,,,867311,,,,,,,,,,,,
DB10376,,Quercus alba pollen,approved,,,,852294,,,,,,,,,,,,
DB10377,,Avena sativa pollen,approved,,,,852114,,,,,,,,,,,,
DB10378,,Olea europaea pollen,approved,,,,852653,,,,,,,,,,,,
DB10379,,Dactylis glomerata pollen,approved,,,,851878,,,,,,,,,,,,
DB10380,,Carya illinoinensis pollen,approved,,,,852272,,,,,,,,,,,,
DB10381,,Amaranthus retroflexus pollen,approved,,,,851930,,,,,,,,,,,,
DB10382,,Plantago lanceolata pollen,approved,,,,852742,,,,,,,,,,,,
DB10383,,Populus alba pollen,approved,,,,852382,,,,,,,,,,,,
DB10384,,Ambrosia acanthicarpa pollen,approved,,,,851938,,,,,,,,,,,,
DB10385,,Ambrosia artemisiifolia pollen,approved,,,,1347557,,,,,,,,,,,,
DB10386,,Ambrosia trifida pollen,approved,,,,851998,,,,,,,,,,,,
DB10387,,Ambrosia psilostachya pollen,approved,,,,851985,,,,,,,,,,,,
DB10388,,Salsola kali pollen,approved,,,,852158,,,,,,,,,,,,
DB10389,,Lolium perenne pollen,approved,,,,852819,,,,,,,,,,,,
DB10390,,Artemisia tridentata pollen,approved,,,,852020,,,,,,,,,,,,
DB10391,,Atriplex wrightii pollen,approved,,,,897316,,,,,,,,,,,,
DB10392,,Platanus occidentalis pollen,approved,,,,852746,,,,,,,,,,,,
DB10393,,Platanus racemosa pollen,approved,,,,852750,,,,,,,,,,,,
DB10394,,Phleum pratense pollen,"['approved', 'investigational']","['17181436', '14756461']",,,851994,,,,,,,,,,,,
DB10395,,Holcus lanatus pollen,approved,,,,852514,,,,,,,,,,,,
DB10396,,Juglans nigra pollen,approved,,,,852569,,,,,,,,,,,,
DB10397,,Juglans californica pollen,approved,,,,852561,,,,,,,,,,,,
DB10398,,Salix nigra pollen,approved,,,,852162,,,,,,,,,,,,
DB10399,,Felis catus skin,approved,,,,851949,,,,,,,,,,,,
DB10400,,Dermatophagoides farinae,approved,"['26565665', '7894317', '25258013']",V01AA03,,1116977,,,,,,,,,,,,
DB10401,,Dermatophagoides pteronyssinus,approved,,V01AA03,,1116979,,,,,,,,,,,,
DB10403,,Agrostis gigantea pollen,approved,,,,851870,,,,,,,,,,,,
DB10404,,Anthoxanthum odoratum pollen,approved,,,,851898,,,,,,,,,,,,
DB10406,,Bos taurus skin,approved,,,,852256,,,,,,,,,,,,
DB10408,,Cotton seed,approved,,,,852440,,,,,,,,,,,,
DB10409,,Canis lupus familiaris skin,approved,,,,894987,,,,,,,,,,,,
DB10410,,Equus caballus skin,approved,,,,852479,,,,,,,,,,,,
DB10411,,Ceiba pentandra fiber,approved,,,,852315,,,,,,,,,,,,
DB10412,,Mus musculus skin,approved,,,,852693,,,,,,,,,,,,
DB10413,,Orris,approved,,,,314753,,,,,,,,,,,,
DB10415,,Rabbit,"['approved', 'investigational']",,,,813859,,,,,,,,,,,,
DB10416,,Cavia porcellus skin,approved,,,,852298,,,,,,,,,,,,
DB10417,,Periplaneta americana,approved,,,,905258,,,,,,,,,,,,
DB10418,,Blatella germanica,approved,,,,905276,,,,,,,,,,,,
DB10419,,Solenopsis invicta,approved,,,,867341,,,,,,,,,,,,
DB10420,,Gallus gallus feather,approved,,,,894934,,,,,,,,,,,,
DB10421,,Anas platyrhynchos feather,approved,,,,892851,,,,,,,,,,,,
DB10422,,Anser anser feather,approved,,,,894783,,,,,,,,,,,,
DB10423,,Acremonium strictum,approved,,,,,,,,,,,,,,,,
DB10424,,Alternaria alternata,approved,,,,901845,,,,,,,,,,,,
DB10425,,Aspergillus fumigatus,approved,,,,1182,,,,,,,,,,,,
DB10426,,Aspergillus niger var. niger,approved,,,,854082,,,,,,,,,,,,
DB10427,,Aureobasidium pullulans var. pullutans,approved,,,,852102,,,,,,,,,,,,
DB10428,,Botrytis cinerea,approved,,,,466195,,,,,,,,,,,,
DB10429,,Candida albicans,approved,,,,1963,,,,,,,,,,,,
DB10430,,Chaetomium globosum,approved,,,,466197,,,,,,,,,,,,
DB10431,,Cladosporium cladosporioides,approved,,,,995768,,,,,,,,,,,,
DB10432,,Cladosporium sphaerospermum,approved,,,,867202,,,,,,,,,,,,
DB10433,,Cochliobolus sativus,approved,,,,852398,,,,,,,,,,,,
DB10434,,Epicoccum nigrum,approved,,,,852466,,,,,,,,,,,,
DB10435,,Fusarium oxysporum vasinfectum,approved,,,,867228,,,,,,,,,,,,
DB10436,,Helminthosporium solani,approved,,,,867232,,,,,,,,,,,,
DB10437,,Mucor plumbeus,approved,,,,314415,,,,,,,,,,,,
DB10438,,Neurospora intermedia,approved,,,,867274,,,,,,,,,,,,
DB10439,,Penicillium chrysogenum var. chrysogenum,approved,,,,854130,,,,,,,,,,,,
DB10440,,Phoma exigua var. exigua,approved,,,,867284,,,,,,,,,,,,
DB10441,,Rhizopus arrhizus var. arrhizus,approved,,,,314443,,,,,,,,,,,,
DB10442,,Rhodotorula rubra,approved,,,,867321,,,,,,,,,,,,
DB10443,,Ustilago maydis,approved,,,,1427134,,,,,,,,,,,,
DB10444,,Ustilago tritici,approved,,,,968437,,,,,,,,,,,,
DB10445,,Stemphylium solani,approved,,,,867349,,,,,,,,,,,,
DB10446,,Trichophyton mentagrophytes,approved,,,,867357,,,,,,,,,,,,
DB10447,68876-77-7,Saccharomyces cerevisiae,approved,,,,350141,,,,,,,,,,,,
DB10448,,Aspergillus oryzae,approved,,,,1329940,,,,,,,,,,,,
DB10449,,Aspergillus repens,approved,,,,1006310,,,,,,,,,,,,
DB10450,,Aspergillus terreus,approved,,,,999408,,,,,,,,,,,,
DB10451,9000-01-5,Acacia,approved,,,,905301,,,,,,,,,,,,
DB10452,,Ailanthus altissima pollen,approved,,,,851890,,,,,,,,,,,,
DB10453,,Alnus incana subsp. rugosa pollen,approved,,,,851902,,,,,,,,,,,,
DB10454,,Medicago sativa pollen,approved,,,,852634,,,,,,,,,,,,
DB10455,,Fraxinus velutina pollen,approved,,,,852496,,,,,,,,,,,,
DB10456,,Populus tremuloides pollen,approved,,,,852339,,,,,,,,,,,,
DB10457,,Morella cerifera pollen,approved,,,,867260,,,,,,,,,,,,
DB10458,,Betula nigra pollen,approved,,,,852148,,,,,,,,,,,,
DB10459,,Amaranthus palmeri pollen,approved,,,,851926,,,,,,,,,,,,
DB10460,,Juniperus ashei pollen,approved,,,,852581,,,,,,,,,,,,
DB10461,,Juniperus virginiana pollen,approved,,,,852609,,,,,,,,,,,,
DB10462,,Xanthium strumarium var. canadense pollen,approved,,,,902215,,,,,,,,,,,,
DB10463,,Populus deltoides pollen,approved,,,,852363,,,,,,,,,,,,
DB10464,,Populus fremontii pollen,approved,,,,852355,,,,,,,,,,,,
DB10465,,Populus deltoides subsp. monilifera pollen,approved,,,,867297,,,,,,,,,,,,
DB10466,,Cupressus arizonica pollen,approved,,,,852814,,,,,,,,,,,,
DB10467,,Taxodium distichum pollen,approved,,,,995747,,,,,,,,,,,,
DB10468,,Eupatorium capillifolium pollen,approved,,,,867218,,,,,,,,,,,,
DB10469,,Ulmus crassifolia pollen,approved,,,,1014191,,,,,,,,,,,,
DB10470,,Eucalyptus globulus pollen,approved,,,,852386,,,,,,,,,,,,
DB10471,,Solidago canadensis pollen,approved,,,,995743,,,,,,,,,,,,
DB10472,,Celtis occidentalis pollen,approved,,,,852324,,,,,,,,,,,,
DB10473,,Juniperus californica pollen,approved,,,,852585,,,,,,,,,,,,
DB10474,,Robinia pseudoacacia pollen,approved,,,,867325,,,,,,,,,,,,
DB10475,,Acer rubrum pollen,approved,,,,851744,,,,,,,,,,,,
DB10478,,Melaleuca quinquenervia pollen,approved,,,,903913,,,,,,,,,,,,
DB10479,,Chenopodium ambrosioides pollen,approved,,,,897391,,,,,,,,,,,,
DB10480,,Morus alba pollen,approved,,,,852669,,,,,,,,,,,,
DB10481,,Quercus rubra pollen,approved,,,,852268,,,,,,,,,,,,
DB10482,,Syagrus romanzoffiana pollen,approved,,,,867353,,,,,,,,,,,,
DB10483,,Schinus molle pollen,approved,,,,852140,,,,,,,,,,,,
DB10484,,Amaranthus spinosus pollen,approved,,,,895919,,,,,,,,,,,,
DB10485,,Casuarina equisetifolia pollen,approved,,,,852229,,,,,,,,,,,,
DB10486,,Pinus strobus pollen,approved,,,,852738,,,,,,,,,,,,
DB10487,,Pinus echinata pollen,approved,,,,852709,,,,,,,,,,,,
DB10488,,Ligustrum vulgare pollen,approved,,,,852622,,,,,,,,,,,,
DB10489,,Elymus repens pollen,approved,,,,852343,,,,,,,,,,,,
DB10490,,Ambrosia tenuifolia pollen,approved,,,,851990,,,,,,,,,,,,
DB10491,,Ambrosia bidentata pollen,approved,,,,885750,,,,,,,,,,,,
DB10493,,Artemisia frigida pollen,approved,,,,867142,,,,,,,,,,,,
DB10494,,Distichlis spicata pollen,approved,,,,852329,,,,,,,,,,,,
DB10495,,Liquidambar styraciflua pollen,approved,,,,852627,,,,,,,,,,,,
DB10496,,Juglans regia pollen,approved,,,,852577,,,,,,,,,,,,
DB10497,,Amaranthus tuberculatus pollen,approved,,,,851934,,,,,,,,,,,,
DB10498,,Triticum aestivum pollen,approved,,,,867361,,,,,,,,,,,,
DB10499,,Felis catus hair,approved,,,,248123,,,,,,,,,,,,
DB10500,,Almond,approved,,,,892507,,,,,,,,,,,,
DB10501,,Apple,approved,,,,1424865,,,,,,,,,,,,
DB10502,,Apricot,approved,,,,1353891,,,,,,,,,,,,
DB10503,,Asparagus,approved,,,,891796,,,,,,,,,,,,
DB10504,,Avocado,approved,,,,895582,,,,,,,,,,,,
DB10505,,Banana,approved,,,,285149,,,,,,,,,,,,
DB10506,,Barley,approved,,,,862453,,,,,,,,,,,,
DB10508,,String bean,approved,,,,891676,,,,,,,,,,,,
DB10509,,Beef,approved,,,,892599,,,,,,,,,,,,
DB10510,,Brazil nut,approved,,,,891514,,,,,,,,,,,,
DB10511,,Broccoli,approved,,,,319808,,,,,,,,,,,,
DB10512,,Buckwheat,approved,,,,899394,,,,,,,,,,,,
DB10513,,Cabbage,approved,,,,319810,,,,,,,,,,,,
DB10514,,Cantaloupe,approved,,,,892517,,,,,,,,,,,,
DB10515,,Carrot,approved,,,,892368,,,,,,,,,,,,
DB10516,9000-71-9,Casein,approved,,,,1440974,,,,,,,,,,,,
DB10517,,Celery,approved,,,,892372,,,,,,,,,,,,
DB10518,,Cherry,approved,,,,862461,,,,,,,,,,,,
DB10519,,Chicken,approved,,,,892653,,,,,,,,,,,,
DB10520,,Cinnamon,approved,,,,899673,,,,,,,,,,,,
DB10523,,Coconut,approved,,,,1372248,,,,,,,,,,,,
DB10525,,Coffee bean,approved,,,,891727,,,,,,,,,,,,
DB10526,,Red king crab,approved,,,,1928707,,,,,,,,,,,,
DB10527,,Cucumber,approved,,,,1305719,,,,,,,,,,,,
DB10528,9006-50-2,Egg white,approved,,,,892616,,,,,,,,,,,,
DB10529,,Egg,approved,,,,1315115,,,,,,,,,,,,
DB10530,,Egg yolk,approved,,,,892620,,,,,,,,,,,,
DB10531,,Flounder,approved,,,,899746,,,,,,,,,,,,
DB10532,8008-99-9,Garlic,"['approved', 'nutraceutical']",,,,899414,,,,,,,,,,,,
DB10533,,Grape,approved,,,,253172,,,,,,,,,,,,
DB10534,,Grapefruit,approved,,,,899424,,,,,,,,,,,,
DB10535,9000-36-6,Karaya gum,approved,,"['A06AC03', 'A06AC53']",,852617,,,,,,,,,,,,
DB10536,,Honeydew melon,approved,,,,899476,,,,,,,,,,,,
DB10537,,Lamb,approved,,,,971849,,,,,,,,,,,,
DB10538,,Lemon,"['approved', 'investigational']",,,,901382,,,,,,,,,,,,
DB10539,,Lettuce,approved,,,,899448,,,,,,,,,,,,
DB10540,,Lima bean,approved,,,,891641,,,,,,,,,,,,
DB10541,,Lobster,approved,,,,1997187,,,,,,,,,,,,
DB10542,,Goat milk,approved,,,,862475,,,,,,,,,,,,
DB10543,8049-98-7,Cow milk,approved,,,,892665,,,,,,,,,,,,
DB10544,,Cultivated mushroom,approved,,,,901369,,,,,,,,,,,,
DB10545,,Mustard seed,approved,,,,899456,,,,,,,,,,,,
DB10546,,Oat,approved,,,,285251,,,,,,,,,,,,
DB10547,,Black olive,approved,,,,974650,,,,,,,,,,,,
DB10548,,Onion,approved,,,,899466,,,,,,,,,,,,
DB10549,,Orange,approved,,,,892565,,,,,,,,,,,,
DB10550,,Oyster,approved,,,,2103250,,,,,,,,,,,,
DB10551,,Pea,approved,,,,892569,,,,,,,,,,,,
DB10552,,Peach,approved,,,,892575,,,,,,,,,,,,
DB10553,,Peanut,approved,,,,891658,,,,,,,,,,,,
DB10554,,Pear,approved,,,,1367125,,,,,,,,,,,,
DB10555,,Pecan,approved,,,,892332,,,,,,,,,,,,
DB10556,,Green bell pepper,approved,,,,862478,,,,,,,,,,,,
DB10557,,Black pepper,approved,,,,899363,,,,,,,,,,,,
DB10558,,Pineapple,approved,,,,1492174,,,,,,,,,,,,
DB10559,,Pistachio,approved,,,,904606,,,,,,,,,,,,
DB10560,,Plum,approved,,,,307387,,,,,,,,,,,,
DB10561,,Pork,approved,,,,892628,,,,,,,,,,,,
DB10562,,Potato,approved,,,,892632,,,,,,,,,,,,
DB10563,,Rice,approved,,,,901337,,,,,,,,,,,,
DB10564,,Rye,approved,,,,892638,,,,,,,,,,,,
DB10566,,Sesame seed,approved,,,,901199,,,,,,,,,,,,
DB10567,,Shrimp,approved,,,,892592,,,,,,,,,,,,
DB10568,,Soybean,approved,,,,891668,,,,,,,,,,,,
DB10569,,Spinach,approved,,,,2099276,,,,,,,,,,,,
DB10570,,Squash,approved,,,,975509,,,,,,,,,,,,
DB10571,,Strawberry,approved,,,,892484,,,,,,,,,,,,
DB10572,,Corn,approved,,,,892547,,,,,,,,,,,,
DB10573,,Tomato,approved,,,,892499,,,,,,,,,,,,
DB10574,,Tuna,approved,,,,892503,,,,,,,,,,,,
DB10575,,Turkey,"['approved', 'investigational']",,,,975119,,,,,,,,,,,,
DB10576,,Vanilla,approved,,,,901291,,,,,,,,,,,,
DB10577,,English walnut,approved,,,,891687,,,,,,,,,,,,
DB10578,,Watermelon,approved,,,,260014,,,,,,,,,,,,
DB10579,,Wheat,approved,,,,901299,,,,,,,,,,,,
DB10580,,Tea leaf,"['approved', 'investigational']",,,,968498,,,,,,,,,,,,
DB10581,,Khuskia oryzae,approved,,,,892338,,,,,,,,,,,,
DB10582,,Artemisia annua pollen,approved,,,,896213,,,,,,,,,,,,
DB10583,,Clostridium tetani toxoid antigen (formaldehyde inactivated),approved,,"['J07AM01', 'J07AM51', 'J07AM52']",,798306,,,,,,,,,,,,
DB10584,308079-75-6,Corynebacterium diphtheriae toxoid antigen (formaldehyde inactivated),"['approved', 'investigational']",,J07AF01,,235600,,,,,,,,,,,,
DB10596,,"Influenza A virus A/California/7/2009 X-179A (H1N1) antigen (UV, formaldehyde inactivated)",approved,,,,1657331,,,,,,,,,,,,
DB10597,,"Influenza A virus A/Switzerland/9715293/2013 NIB-88 (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB10598,,"Influenza B virus B/Brisbane/60/2008 antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB10599,,"Influenza B virus B/Phuket/3073/2013 antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB10600,,Influenza A virus A/California/7/2009 X-181 (H1N1) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB10601,,Influenza A virus A/South Australia/55/2014 IVR-175 (H3N2) antigen (propiolactone inactivated),approved,,,,1657130,,,,,,,,,,,,
DB10602,,Influenza B virus B/Phuket/3073/2013 antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB10603,,Meriones unguiculatus skin,approved,,,,895070,,,,,,,,,,,,
DB10604,,Capra hircus skin,approved,,,,852252,,,,,,,,,,,,
DB10605,,Mesocricetus auratus skin,approved,,,,895062,,,,,,,,,,,,
DB10606,,Sus scrofa skin,approved,,,,852839,,,,,,,,,,,,
DB10607,,Oryctolagus cuniculus skin,approved,,,,895195,,,,,,,,,,,,
DB10608,,Rattus norvegicus skin,approved,,,,895279,,,,,,,,,,,,
DB10609,,Bombyx mori fiber,approved,,,,314455,,,,,,,,,,,,
DB10610,,Duck,approved,,,,972037,,,,,,,,,,,,
DB10611,,Allergenic extract- beef liver,approved,,,,972689,,,,,,,,,,,,
DB10612,,Veal,approved,,,,1012026,,,,,,,,,,,,
DB10613,,Bluefish,approved,,,,892181,,,,,,,,,,,,
DB10614,,Common carp,approved,,,,901390,,,,,,,,,,,,
DB10615,,Haddock,approved,,,,899428,,,,,,,,,,,,
DB10616,,Pacific halibut,approved,,,,882469,,,,,,,,,,,,
DB10617,,Herring,approved,,,,899434,,,,,,,,,,,,
DB10618,,Mackerel,approved,,,,889591,,,,,,,,,,,,
DB10619,,Northern pike,approved,,,,889602,,,,,,,,,,,,
DB10620,,Red snapper,approved,,,,889646,,,,,,,,,,,,
DB10621,,Atlantic salmon,approved,,,,900031,,,,,,,,,,,,
DB10622,,European pilchard,approved,,,,974129,,,,,,,,,,,,
DB10623,,Scallop,approved,,,,899916,,,,,,,,,,,,
DB10624,,Smelt,approved,,,,889669,,,,,,,,,,,,
DB10625,,Swordfish,approved,,,,901283,,,,,,,,,,,,
DB10626,,Trout,approved,,,,882482,,,,,,,,,,,,
DB10627,,White fish,approved,,,,901265,,,,,,,,,,,,
DB10628,,Blackberry,approved,,,,899378,,,,,,,,,,,,
DB10629,,Blueberry,approved,,,,1549329,,,,,,,,,,,,
DB10630,,Sour cherry,approved,,,,1012134,,,,,,,,,,,,
DB10631,,Cranberry,"['approved', 'investigational']",,,,899734,,,,,,,,,,,,
DB10632,,Date,approved,,,,899742,,,,,,,,,,,,
DB10633,,Fig,approved,,,,973880,,,,,,,,,,,,
DB10634,,Wine grape,approved,,,,892317,,,,,,,,,,,,
DB10635,,Lime (citrus),approved,,,,1305725,,,,,,,,,,,,
DB10636,,Raspberry,approved,,,,1370769,,,,,,,,,,,,
DB10637,,Tangerine,approved,,,,1426364,,,,,,,,,,,,
DB10638,,Artichoke,approved,,,,235940,,,,,,,,,,,,
DB10639,,Kidney bean,approved,,,,891637,,,,,,,,,,,,
DB10640,,Beet,approved,,,,319826,,,,,,,,,,,,
DB10641,,Kiwi fruit,approved,,,,1010926,,,,,,,,,,,,
DB10642,,Brussels sprout,approved,,,,899390,,,,,,,,,,,,
DB10643,,Cauliflower,approved,,,,899661,,,,,,,,,,,,
DB10644,,Eggplant,approved,,,,972601,,,,,,,,,,,,
DB10645,,Lentil,approved,,,,899444,,,,,,,,,,,,
DB10646,,Green olive,approved,,,,971379,,,,,,,,,,,,
DB10647,,Parsley,approved,,,,899877,,,,,,,,,,,,
DB10648,,Sweet potato,approved,,,,901307,,,,,,,,,,,,
DB10650,,Raphanus sativus,approved,,,,1311246,,,,,,,,,,,,
DB10651,8016-55-5,Rhubarb,approved,,,,1011033,,,,,,,,,,,,
DB10652,,Turnip,approved,,,,883414,,,,,,,,,,,,
DB10653,,Cashew,approved,,,,892526,,,,,,,,,,,,
DB10654,,Hazelnut,approved,,,,891633,,,,,,,,,,,,
DB10655,,Macadamia nut,approved,,,,1011066,,,,,,,,,,,,
DB10656,,Nectarine,approved,,,,1010999,,,,,,,,,,,,
DB10657,,Mango,approved,,,,1426332,,,,,,,,,,,,
DB10658,,Papaya,approved,,,,1011426,,,,,,,,,,,,
DB10659,,Leek,approved,,,,1010932,,,,,,,,,,,,
DB10660,,Okra,approved,,,,1370787,,,,,,,,,,,,
DB10661,,Parsnip,approved,,,,1011027,,,,,,,,,,,,
DB10662,,Chickpea,approved,,,,1011049,,,,,,,,,,,,
DB10663,,Black-eyed pea,approved,,,,899490,,,,,,,,,,,,
DB10664,,Watercress,approved,,,,287516,,,,,,,,,,,,
DB10666,,Arabica coffee bean,approved,,,,891502,,,,,,,,,,,,
DB10667,9000-65-1,Tragacanth,approved,,,,1368197,,,,,,,,,,,,
DB10669,,Allspice,approved,,,,895552,,,,,,,,,,,,
DB10670,,Laurus nobilis,approved,,,,1010879,,,,,,,,,,,,
DB10671,,Caraway seed,approved,,,,899637,,,,,,,,,,,,
DB10672,84961-50-2,Clove,approved,,,,899724,,,,,,,,,,,,
DB10673,,Dill,approved,,,,975763,,,,,,,,,,,,
DB10674,,Horseradish,approved,,,,1011043,,,,,,,,,,,,
DB10675,,Licorice,approved,,,,42769,,,,,,,,,,,,
DB10676,,Nutmeg,approved,,,,891652,,,,,,,,,,,,
DB10677,,Oregano,approved,,,,1010965,,,,,,,,,,,,
DB10678,,Paprika,approved,,,,899873,,,,,,,,,,,,
DB10679,,White pepper,approved,,,,1011633,,,,,,,,,,,,
DB10681,,Poppy seed,approved,,,,1011017,,,,,,,,,,,,
DB10683,,Spearmint,approved,,,,901313,,,,,,,,,,,,
DB10685,,Wheat bran,approved,,,,1012140,,,,,,,,,,,,
DB10686,,American chestnut,approved,,,,891752,,,,,,,,,,,,
DB10687,,Hops,approved,,,,899480,,,,,,,,,,,,
DB10688,,Musca domestica,approved,,,,967921,,,,,,,,,,,,
DB10690,,Ctenocephalides canis,approved,,,,886637,,,,,,,,,,,,
DB10691,,Aedes taeniorhynchus,approved,,,,974741,,,,,,,,,,,,
DB10693,,Ctenocephalides felis,approved,,,,886638,,,,,,,,,,,,
DB10694,,Aspergillus flavus,approved,,,,999384,,,,,,,,,,,,
DB10695,,Eurotium herbariorum,approved,,,,999450,,,,,,,,,,,,
DB10696,,Trichothecium roseum,approved,,,,968426,,,,,,,,,,,,
DB10697,,Curvularia inaequalis,approved,,,,999438,,,,,,,,,,,,
DB10698,,Fusarium compactum,approved,,,,999457,,,,,,,,,,,,
DB10699,,Geotrichum candidum,approved,,,,999463,,,,,,,,,,,,
DB10700,,Phoma glomerata,approved,,,,975996,,,,,,,,,,,,
DB10701,,Rhodotorula mucilaginosa,approved,,,,967529,,,,,,,,,,,,
DB10702,,Stemphylium sarciniforme,approved,,,,968130,,,,,,,,,,,,
DB10703,,Trichoderma harzianum,approved,,,,968197,,,,,,,,,,,,
DB10704,,Ustilago avenae,approved,,,,349978,,,,,,,,,,,,
DB10705,,Tilletia caries,approved,,,,,,,,,,,,,,,,
DB10706,,Puccinia graminis,approved,,,,999487,,,,,,,,,,,,
DB10707,,Cotton,approved,,,,1315113,,,,,,,,,,,,
DB10708,,Flax seed,approved,,,,901351,,,,,,,,,,,,
DB10710,8037-19-2,Tobacco leaf,approved,,,,852062,,,,,,,,,,,,
DB10711,,Corcorus capsularis fiber,approved,,,,852412,,,,,,,,,,,,
DB10712,,Agave sisalana fiber,approved,,,,851882,,,,,,,,,,,,
DB10713,,Poa compressa pollen,approved,,,,1014731,,,,,,,,,,,,
DB10714,,Phalaris arundinacea pollen,approved,,,,852697,,,,,,,,,,,,
DB10715,,Bouteloua gracilis pollen,approved,,,,852197,,,,,,,,,,,,
DB10716,,Urochloa mutica pollen,approved,,,,894750,,,,,,,,,,,,
DB10717,,Secale cereale pollen,approved,,,,1014774,,,,,,,,,,,,
DB10718,,Leymus condensatus pollen,approved,,,,900148,,,,,,,,,,,,
DB10719,,Pascopyrum smithii pollen,approved,,,,852659,,,,,,,,,,,,
DB10720,,Acacia baileyana pollen,approved,,,,895353,,,,,,,,,,,,
DB10721,,Alnus rubra pollen,approved,,,,851914,,,,,,,,,,,,
DB10722,,Alnus rhombifolia pollen,approved,,,,851910,,,,,,,,,,,,
DB10723,,Fraxinus latifolia pollen,approved,,,,900045,,,,,,,,,,,,
DB10724,,Betula populifolia pollen,approved,,,,852178,,,,,,,,,,,,
DB10725,,Tamarix gallica pollen,approved,,,,852806,,,,,,,,,,,,
DB10727,,Juniperus monosperma pollen,approved,,,,900108,,,,,,,,,,,,
DB10728,,Juniperus pinchotii pollen,approved,,,,900113,,,,,,,,,,,,
DB10729,,Juniperus scopulorum pollen,approved,,,,852601,,,,,,,,,,,,
DB10730,,Juniperus osteosperma pollen,approved,,,,852597,,,,,,,,,,,,
DB10731,,Juniperus occidentalis pollen,approved,,,,852589,,,,,,,,,,,,
DB10732,,Tilia americana pollen,approved,,,,995754,,,,,,,,,,,,
DB10733,,Mangifera indica pollen,approved,,,,1006371,,,,,,,,,,,,
DB10734,,Acer macrophyllum pollen,approved,,,,851736,,,,,,,,,,,,
DB10735,,Acer saccharinum pollen,approved,,,,851866,,,,,,,,,,,,
DB10736,,Broussonetia papyrifera pollen,approved,,,,899593,,,,,,,,,,,,
DB10737,,Quercus velutina pollen,approved,,,,852260,,,,,,,,,,,,
DB10738,,Quercus macrocarpa pollen,approved,,,,900991,,,,,,,,,,,,
DB10739,,Quercus kelloggii pollen,approved,,,,1014721,,,,,,,,,,,,
DB10740,,Quercus gambelii pollen,approved,,,,852276,,,,,,,,,,,,
DB10741,,Quercus lobata pollen,approved,,,,1111024,,,,,,,,,,,,
DB10742,,Quercus nigra pollen,approved,,,,1013944,,,,,,,,,,,,
DB10743,,Citrus sinensis pollen,approved,,,,897403,,,,,,,,,,,,
DB10744,,Pinus taeda pollen,approved,,,,900770,,,,,,,,,,,,
DB10745,,Pinus palustris pollen,approved,,,,1014360,,,,,,,,,,,,
DB10746,,Pinus ponderosa pollen,approved,,,,852716,,,,,,,,,,,,
DB10747,,Pinus elliottii pollen,approved,,,,900731,,,,,,,,,,,,
DB10748,,Pinus virginiana pollen,approved,,,,1013913,,,,,,,,,,,,
DB10749,,Pinus monticola pollen,approved,,,,900743,,,,,,,,,,,,
DB10750,,Populus nigra pollen,approved,,,,852348,,,,,,,,,,,,
DB10751,,Elaeagnus angustifolia pollen,approved,,,,852367,,,,,,,,,,,,
DB10752,,Salix lasiolepis pollen,approved,,,,852170,,,,,,,,,,,,
DB10753,,Salix discolor pollen,approved,,,,852174,,,,,,,,,,,,
DB10754,,Populus balsamifera subsp. trichocarpa pollen,approved,,,,1014762,,,,,,,,,,,,
DB10755,,Taraxacum officinale pollen,approved,,,,852079,,,,,,,,,,,,
DB10756,,Atriplex polycarpa pollen,approved,,,,897304,,,,,,,,,,,,
DB10757,,Baccharis halimifolia pollen,approved,,,,897332,,,,,,,,,,,,
DB10758,,Hymenoclea salsola pollen,approved,,,,852526,,,,,,,,,,,,
DB10759,,Allenrolfea occidentalis pollen,approved,,,,851894,,,,,,,,,,,,
DB10760,,Atriplex lentiformis pollen,approved,,,,852096,,,,,,,,,,,,
DB10761,,Artemisia douglasiana pollen,approved,,,,892734,,,,,,,,,,,,
DB10762,,Artemisia ludoviciana pollen,approved,,,,896246,,,,,,,,,,,,
DB10763,,Urtica dioica pollen,approved,,,,852046,,,,,,,,,,,,
DB10764,,Iva axillaris pollen,approved,,,,852539,,,,,,,,,,,,
DB10765,,Ambrosia deltoidea pollen,approved,,,,851969,,,,,,,,,,,,
DB10766,,Sarcobatus vermiculatus pollen,approved,,,,852152,,,,,,,,,,,,
DB10767,,Atriplex canescens pollen,approved,,,,852074,,,,,,,,,,,,
DB10768,,Artemisia absinthium pollen,approved,,,,852007,,,,,,,,,,,,
DB10769,,Japanese encephalitis virus strain sa 14-14-2 antigen (formaldehyde inactivated),approved,,,,1300779,,,,,,,,,,,,
DB10770,,Foreskin fibroblast (neonatal),approved,"['23956153', '20712449']",,,1427137,,,,,,,,,,,,
DB10771,9050-08-2,Bovine type I collagen,approved,"['10671611', '28384173', '29099747', '1420714', '1804877', '17044356', '28866189', '8833000']",,,1426855,,,,,,,,,,,,
DB10772,,Foreskin keratinocyte (neonatal),approved,,,,1427138,,,,,,,,,,,,
DB10773,,Influenza A virus A/California/7/2009 (H1N1) recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB10774,,Influenza A virus A/Victoria/361/2011 (H3N2) recombinant hemagglutinin antigen,approved,,,,1663632,,,,,,,,,,,,
DB10775,,Influenza B virus B/Wisconsin/1/2010 recombinant hemagglutinin antigen,approved,,,,1303855,,,,,,,,,,,,
DB10776,,Influenza A virus A/Texas/50/2012 (H3N2) recombinant hemagglutinin antigen,approved,,,,1427019,,,,,,,,,,,,
DB10777,,Influenza B virus B/Massachusetts/2/2012 recombinant hemagglutinin antigen,approved,,,,1442194,,,,,,,,,,,,
DB10778,,Influenza A virus A/Switzerland/9715293/2013 (H3N2) recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB10779,,Influenza B virus B/Phuket/3073/2013 recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB10780,,Influenza B virus B/Hubei-Wujiagang/158/2009 BX-39 antigen (propiolactone inactivated),approved,,,,1664172,,,,,,,,,,,,
DB10781,,Influenza A virus A/Christchurch/16/2010 NIB-74 (H1N1) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB10782,,Influenza A virus A/Victoria/361/2011 IVR-165 (H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB10783,,Neisseria meningitidis serogroup b nhba fusion protein antigen,approved,,,,1601233,,,,,,,,,,,,
DB10784,,Neisseria meningitidis serogroup b fhbp fusion protein antigen,approved,,,,1601231,,,,,,,,,,,,
DB10785,,Neisseria meningitidis serogroup b nada protein antigen,approved,,,,1601232,,,,,,,,,,,,
DB10786,,Neisseria meningitidis serogroup B strain NZ98/254 outer membrane vesicle,approved,,,,1601236,,,,,,,,,,,,
DB10787,,Bordetella pertussis toxoid antigen (glutaraldehyde inactivated),"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB10788,,Bordetella pertussis filamentous hemagglutinin antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,1300180,,,,,,,,,,,,
DB10789,,Bordetella pertussis pertactin antigen,"['approved', 'investigational']",9325433,,,1300184,,,,,,,,,,,,
DB10790,,Bordetella pertussis fimbriae 2/3 antigen,"['approved', 'investigational']",22956654,,,1300182,,,,,,,,,,,,
DB10791,,Influenza A virus A/California/7/2009 X-179A (H1N1) antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB10792,,Influenza A virus A/Switzerland/9715293/2013 NIB-88 (H3N2) antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB10793,,Influenza B virus B/Phuket/3073/2013 antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB10794,,Influenza B virus B/Brisbane/60/2008 antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB10795,,Poliovirus type 1 antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,763096,,,,,,,,,,,,
DB10796,,Poliovirus type 2 antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,763098,,,,,,,,,,,,
DB10797,,Poliovirus type 3 antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,763100,,,,,,,,,,,,
DB10798,,Neisseria meningitidis group a capsular polysaccharide diphtheria toxoid conjugate antigen,"['approved', 'investigational']",,,,797629,,,,,,,,,,,,
DB10799,,Neisseria meningitidis group c capsular polysaccharide diphtheria toxoid conjugate antigen,approved,,,,797631,,,,,,,,,,,,
DB10800,,Neisseria meningitidis group y capsular polysaccharide diphtheria toxoid conjugate antigen,approved,,,,797635,,,,,,,,,,,,
DB10801,,Neisseria meningitidis group w-135 capsular polysaccharide diphtheria toxoid conjugate antigen,approved,,,,797633,,,,,,,,,,,,
DB10802,,Influenza A virus A/California/7/2009(H1N1)-like antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB10803,,Typhoid Vi polysaccharide vaccine,approved,,J07AP03,,807219,,,,,,,,,,,,
DB10804,,Bacillus calmette-guerin substrain connaught live antigen,"['approved', 'investigational']",,,,76469,,,,,,,,,,,,
DB10805,,Yellow fever vaccine,"['approved', 'investigational']",29172832,J07BL01,,89890,,,,,,,,,,,,
DB10806,,Fusarium oxysporum,approved,,,,2101722,,,,,,,,,,,,
DB10807,,Candida tropicalis,approved,,,,967033,,,,,,,,,,,,
DB10808,,Mucor racemosus,approved,,,,852687,,,,,,,,,,,,
DB10809,,Penicillium camemberti,approved,,,,966943,,,,,,,,,,,,
DB10810,,Penicillium expansum,approved,,,,967111,,,,,,,,,,,,
DB10811,,Penicillium italicum,approved,,,,967960,,,,,,,,,,,,
DB10812,,Penicillium roqueforti,approved,,,,972365,,,,,,,,,,,,
DB10813,,Phoma destructiva,approved,,,,966995,,,,,,,,,,,,
DB10814,,Rhizopus stolonifer,approved,,,,967721,,,,,,,,,,,,
DB10815,,Fraxinus pennsylvanica pollen,approved,,,,852491,,,,,,,,,,,,
DB10816,,Atriplex confertifolia pollen,approved,,,,852087,,,,,,,,,,,,
DB10817,,Passalora fulva,approved,,,,883442,,,,,,,,,,,,
DB10818,,Cochliobolus spicifer,approved,,,,995699,,,,,,,,,,,,
DB10819,,Myrothecium verrucaria,approved,,,,1192997,,,,,,,,,,,,
DB10820,,Hypomyces perniciosus,approved,,,,1192968,,,,,,,,,,,,
DB10821,,Neurospora crassa,approved,,,,1193003,,,,,,,,,,,,
DB10822,,Paecilomyces variotii,approved,,,,966979,,,,,,,,,,,,
DB10823,,Microascus brevicaulis,approved,,,,1192992,,,,,,,,,,,,
DB10824,,Colletotrichum coccodes,approved,,,,1192729,,,,,,,,,,,,
DB10825,,Pleospora herbarum,approved,,,,971198,,,,,,,,,,,,
DB10826,,Streptomyces griseus,approved,,,,1314592,,,,,,,,,,,,
DB10827,,Trichoderma viride,approved,,,,968401,,,,,,,,,,,,
DB10828,,Trichophyton schoenleinii,approved,,,,968422,,,,,,,,,,,,
DB10829,,Basil,approved,,,,899355,,,,,,,,,,,,
DB10830,,Mung bean,approved,,,,891647,,,,,,,,,,,,
DB10831,,Betula papyrifera pollen,approved,,,,899576,,,,,,,,,,,,
DB10832,,Betula occidentalis pollen,approved,,,,852166,,,,,,,,,,,,
DB10833,,Betula alleghaniensis pollen,approved,,,,899550,,,,,,,,,,,,
DB10834,,Ustilago cynodontis,approved,,,,1014385,,,,,,,,,,,,
DB10835,,Ustilago nuda hordei,approved,,,,968492,,,,,,,,,,,,
DB10836,,Bromus secalinus pollen,approved,,,,852225,,,,,,,,,,,,
DB10837,,Beta vulgaris pollen,approved,,,,852132,,,,,,,,,,,,
DB10838,,Chenopodium botrys pollen,approved,,,,1014766,,,,,,,,,,,,
DB10839,,Mycocladus corymbiferus,approved,,,,995727,,,,,,,,,,,,
DB10840,,Acrothecium robustum,approved,,,,905088,,,,,,,,,,,,
DB10841,,Humicola grisea,approved,,,,1014391,,,,,,,,,,,,
DB10842,,Microsporum audouinii,approved,,,,1014395,,,,,,,,,,,,
DB10843,,Microsporum canis,approved,,,,1014399,,,,,,,,,,,,
DB10844,,Apiospora montagnei,approved,,,,1006258,,,,,,,,,,,,
DB10845,,Phycomyces blakesleeanus,approved,,,,966692,,,,,,,,,,,,
DB10846,,Sporotrichum pruinosum,approved,,,,968114,,,,,,,,,,,,
DB10847,,Stachybotrys chartarum,approved,,,,968123,,,,,,,,,,,,
DB10848,,Syncephalastrum racemosum,approved,,,,968506,,,,,,,,,,,,
DB10849,,Tetracoccosporium paxianum,approved,,,,968502,,,,,,,,,,,,
DB10850,,Verticillium albo-atrum,approved,,,,968467,,,,,,,,,,,,
DB10851,,White catfish,approved,,,,971166,,,,,,,,,,,,
DB10852,,Carob,approved,,,,1424898,,,,,,,,,,,,
DB10853,,Sweet cherry,approved,,,,901303,,,,,,,,,,,,
DB10855,,Opilio crab,approved,,,,2167805,,,,,,,,,,,,
DB10856,,Bos taurus hair,approved,,,,895488,,,,,,,,,,,,
DB10857,,Serinus canaria feather,approved,,,,894961,,,,,,,,,,,,
DB10858,,Melilotus albus pollen,approved,,,,1014735,,,,,,,,,,,,
DB10859,,Melilotus officinalis pollen,approved,,,,1014447,,,,,,,,,,,,
DB10860,,Typha latifolia pollen,approved,,,,1232637,,,,,,,,,,,,
DB10861,,Atlantic cod,approved,,,,900025,,,,,,,,,,,,
DB10862,,Red currant,approved,,,,972480,,,,,,,,,,,,
DB10864,,Cumin,approved,,,,901365,,,,,,,,,,,,
DB10865,,Cladosporium herbarum,approved,,,,466198,,,,,,,,,,,,
DB10866,,Acheta domesticus,approved,,,,973447,,,,,,,,,,,,
DB10867,,Canis lupus familiaris hair,approved,,,,854025,,,,,,,,,,,,
DB10868,,Odocoileus virginianus hair,approved,,,,895538,,,,,,,,,,,,
DB10869,,Grain mill dust,approved,,,,894795,,,,,,,,,,,,
DB10870,,Epidermophyton floccosum,approved,,,,995707,,,,,,,,,,,,
DB10871,,Ambrosia dumosa pollen,approved,,,,851981,,,,,,,,,,,,
DB10872,,Ambrosia confertiflora pollen,approved,,,,1117083,,,,,,,,,,,,
DB10873,,Sporisorium cruentum,approved,,,,852128,,,,,,,,,,,,
DB10874,,Goose,approved,,,,882485,,,,,,,,,,,,
DB10875,,Concord grape,approved,,,,901191,,,,,,,,,,,,
DB10876,,Capra hircus hair,approved,,,,895503,,,,,,,,,,,,
DB10877,,Cavia porcellus hair,approved,,,,895507,,,,,,,,,,,,
DB10879,,Arrhenatherum elatius pollen,approved,,,,1006506,,,,,,,,,,,,
DB10880,,Equus caballus hair,approved,,,,895515,,,,,,,,,,,,
DB10881,,Sus scrofa hair,approved,,,,895542,,,,,,,,,,,,
DB10882,,Carya cordiformis pollen,approved,,,,899645,,,,,,,,,,,,
DB10883,,Carya glabra pollen,approved,,,,899650,,,,,,,,,,,,
DB10884,,Millet seed,approved,,,,899770,,,,,,,,,,,,
DB10885,,Mustard greens,approved,,,,899452,,,,,,,,,,,,
DB10886,,Quercus muehlenbergii pollen,approved,,,,2167695,,,,,,,,,,,,
DB10887,,Quercus palustris pollen,approved,,,,900999,,,,,,,,,,,,
DB10888,,Quercus stellata pollen,approved,,,,901011,,,,,,,,,,,,
DB10889,,Quercus garryana pollen,approved,,,,900987,,,,,,,,,,,,
DB10890,,Red bell pepper,approved,,,,901329,,,,,,,,,,,,
DB10891,,Perch,approved,,,,976711,,,,,,,,,,,,
DB10892,,Pumpkin,approved,,,,883459,,,,,,,,,,,,
DB10893,,Melopsittacus undulatus feather,approved,,,,1192987,,,,,,,,,,,,
DB10894,,Pinus contorta pollen,approved,,,,898324,,,,,,,,,,,,
DB10895,,Pinus sylvestris pollen,approved,,,,900764,,,,,,,,,,,,
DB10896,,Pinus rigida pollen,approved,,,,900758,,,,,,,,,,,,
DB10897,,Capsicum,approved,,,,319780,,,,,,,,,,,,
DB10898,,Oryctolagus cuniculus hair,approved,,,,895527,,,,,,,,,,,,
DB10899,,Sequoia sempervirens pollen,approved,,,,1014707,,,,,,,,,,,,
DB10900,,Rumex obtusifolius pollen,approved,,,,1014739,,,,,,,,,,,,
DB10901,,Rumex altissimus pollen,approved,,,,1232604,,,,,,,,,,,,
DB10902,,Rumex salicifolius var. mexicanus pollen,approved,,,,1014743,,,,,,,,,,,,
DB10903,,Sitotroga cerealella,approved,,,,892360,,,,,,,,,,,,
DB10904,,English sole,approved,,,,974140,,,,,,,,,,,,
DB10905,,Safflower,approved,,,,1309390,,,,,,,,,,,,
DB10906,,Sugarcane,approved,,,,1014711,,,,,,,,,,,,
DB10907,,Sunflower seed,approved,,,,1309391,,,,,,,,,,,,
DB10908,,Platanus hybrida pollen,approved,,,,900788,,,,,,,,,,,,
DB10909,,Artemisia californica pollen,approved,,,,852011,,,,,,,,,,,,
DB10910,,Helianthus annuus pollen,approved,,,,852509,,,,,,,,,,,,
DB10911,,Carpinus caroliniana pollen,approved,,,,899611,,,,,,,,,,,,
DB10912,,Picea pungens pollen,approved,,,,900704,,,,,,,,,,,,
DB10913,9005-25-8,"Starch, tapioca",approved,,,,901346,,,,,,,,,,,,
DB10914,,Larix occidentalis pollen,approved,,,,900131,,,,,,,,,,,,
DB10915,,Trichophyton rubrum,approved,,,,968413,,,,,,,,,,,,
DB10916,,Salix lucida ssp. lasiandra pollen,approved,,,,1014755,,,,,,,,,,,,
DB10917,8000-27-9,Cedar oil,approved,,,,1314591,,,,,,,,,,,,
DB10918,,Venison,approved,,,,882488,,,,,,,,,,,,
DB10919,,Black walnut,approved,,,,891695,,,,,,,,,,,,
DB10921,,Artemisia dracunculus pollen,approved,,,,1006495,,,,,,,,,,,,
DB10922,,Pinus banksiana pollen,approved,,,,1014690,,,,,,,,,,,,
DB10923,,Pinus resinosa pollen,approved,,,,900754,,,,,,,,,,,,
DB10924,,Pinus nigra pollen,approved,,,,900750,,,,,,,,,,,,
DB10925,,Pinus thunbergii pollen,approved,,,,900777,,,,,,,,,,,,
DB10926,,Carya tomentosa pollen,approved,,,,852193,,,,,,,,,,,,
DB10927,,Iva annua pollen,approved,,,,852532,,,,,,,,,,,,
DB10928,,Bassia scoparia pollen,approved,,,,852593,,,,,,,,,,,,
DB10929,,Cyclachaena xanthifolia pollen,approved,,,,852551,,,,,,,,,,,,
DB10930,,Amaranthus retroflexus whole,approved,,,,1306882,,,,,,,,,,,,
DB10932,,Cephalosporium roseum,approved,,,,1925834,,,,,,,,,,,,
DB10933,,Cochliobolus lunatus,approved,,,,852264,,,,,,,,,,,,
DB10934,,Haematonectria haematococca,approved,,,,852503,,,,,,,,,,,,
DB10935,,Chrysonilia sitophila,approved,,,,314411,,,,,,,,,,,,
DB10936,,Pleospora betae,approved,,,,852756,,,,,,,,,,,,
DB10937,,Puccinia striiformis var. striiformis,approved,,,,852311,,,,,,,,,,,,
DB10939,,Pleospora tarda,approved,,,,852404,,,,,,,,,,,,
DB10940,,Acacia pollen,approved,,,,851732,,,,,,,,,,,,
DB10941,,Bassia hyssopifolia pollen,approved,,,,852124,,,,,,,,,,,,
DB10942,,Brassica rapa pollen,approved,,,,852205,,,,,,,,,,,,
DB10943,,Callistemon citrinus pollen,approved,,,,852233,,,,,,,,,,,,
DB10945,,Dicoria canescens pollen,approved,,,,852306,,,,,,,,,,,,
DB10946,,Krascheninnikovia lanata pollen,approved,,,,852613,,,,,,,,,,,,
DB10947,,Ambrosia ambrosioides pollen,approved,,,,851942,,,,,,,,,,,,
DB10948,,Ambrosia chamissonis pollen,approved,,,,851955,,,,,,,,,,,,
DB10949,,Koeleria macrantha pollen,approved,,,,852605,,,,,,,,,,,,
DB10950,,Phoenix dactylifera pollen,approved,,,,852704,,,,,,,,,,,,
DB10952,,Quercus dumosa pollen,approved,,,,852802,,,,,,,,,,,,
DB10953,,Suaeda moquinii pollen,approved,,,,852106,,,,,,,,,,,,
DB10954,,Tilia cordata pollen,approved,,,,852070,,,,,,,,,,,,
DB10955,,Apis mellifera venom,approved,,,,854163,,,,,,,,,,,,
DB10956,,Vespula maculifrons venom protein,approved,,,,1297529,,,,,,,,,,,,
DB10957,,Dolichovespula arenaria venom protein,approved,,,,1297537,,,,,,,,,,,,
DB10958,,Dolichovespula maculata venom protein,approved,,,,1297525,,,,,,,,,,,,
DB10959,,Polistes fuscatus venom protein,approved,,,,1294632,,,,,,,,,,,,
DB10961,,Hordeum vulgare pollen,approved,,,,1098118,,,,,,,,,,,,
DB10962,,Agrostis stolonifera pollen,approved,,,,1094116,,,,,,,,,,,,
DB10963,,Phalaris minor pollen,approved,,,,1098232,,,,,,,,,,,,
DB10964,,Lolium perenne subsp. multiflorum pollen,approved,,,,1014340,,,,,,,,,,,,
DB10965,,Sorghum bicolor subsp. bicolor pollen,approved,,,,1311406,,,,,,,,,,,,
DB10966,,Sorghum bicolor subsp. drummondii pollen,approved,,,,1098455,,,,,,,,,,,,
DB10967,,Amphiachyris dracunculoides pollen,approved,,,,1094193,,,,,,,,,,,,
DB10968,,Iva angustifolia pollen,approved,,,,1098130,,,,,,,,,,,,
DB10969,,Neurospora sitophila,approved,,,,1098200,,,,,,,,,,,,
DB10970,,Trichophyton tonsurans,approved,,,,1098619,,,,,,,,,,,,
DB10971,,Mycogone nigra,approved,,,,1306122,,,,,,,,,,,,
DB10972,,Absidia capillata,approved,,,,1306881,,,,,,,,,,,,
DB10973,,Thermomyces lanuginosus,approved,,,,1426629,,,,,,,,,,,,
DB10974,,Trichosporon cutaneum,approved,,,,1426665,,,,,,,,,,,,
DB10975,,Tanacetum cinerariifolium flower,approved,,,,967970,,,,,,,,,,,,
DB10976,,Largemouth bass,approved,,,,1098183,,,,,,,,,,,,
DB10977,84649-99-0,Cocoa,approved,,,,,,,,,,,,,,,,
DB10979,,Blue crab,approved,,,,1315126,,,,,,,,,,,,
DB10980,,Barley malt,approved,,,,1006510,,,,,,,,,,,,
DB10981,,Radish,approved,,,,1314656,,,,,,,,,,,,
DB10982,,Sage,approved,,,,1354504,,,,,,,,,,,,
DB10983,,Thyme,approved,,,,974527,,,,,,,,,,,,
DB10984,,Peppermint,approved,,,,1010971,,,,,,,,,,,,
DB10985,,Ulmus rubra pollen,approved,,,,1426632,,,,,,,,,,,,
DB10986,,Pseudotsuga menziesii pollen,approved,,,,1098257,,,,,,,,,,,,
DB10987,,Carya laciniosa pollen,approved,,,,1305551,,,,,,,,,,,,
DB10988,,Maclura pomifera pollen,approved,,,,1098189,,,,,,,,,,,,
DB10989,,Hepatitis A Vaccine,approved,"['12744850', '18159360']",,,253174,,,,,,,,,,,,
DB10990,,Haemophilus influenzae type B strain 20752 capsular polysaccharide tetanus toxoid conjugate antigen,"['approved', 'investigational']",,,,1300806,,,,,,,,,,,,
DB10991,,"Bordetella pertussis toxoid antigen (formaldehyde, glutaraldehyde inactivated)",approved,,,,1300186,,,,,,,,,,,,
DB10992,,Bordetella pertussis pertactin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB10994,,Human papillomavirus type 16 L1 capsid protein residues 2-471 antigen,"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB10995,,Human papillomavirus type 18 L1 capsid protein residues 2-472 antigen,"['approved', 'investigational']",,,,1301887,,,,,,,,,,,,
DB10996,,Influenza A virus A/Christchurch/16/2010 NIB-74XP (H1N1) antigen (formaldehyde inactivated),approved,,,,1657222,,,,,,,,,,,,
DB10997,,Autologous cultured chondrocytes,"['approved', 'investigational']","['27349321', '27347486', '26987846', '8078550', '26962464', '14996869']",,,,,,,,,,,,,,,
DB10998,,"Influenza A virus A/Brisbane/10/2010 (H1N1) antigen (MDCK cell derived, propiolactone inactivated)","['approved', 'investigational']",,,,1657127,,,,,,,,,,,,
DB10999,,"Influenza A virus A/Texas/50/2012 X-223A (H3N2) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB11000,,"Influenza B virus B/Massachusetts/2/2012 antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB11001,,"Influenza A virus A/South Australia/55/2014 (H3N2) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB11002,,"Influenza B virus B/Utah/9/2014 antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,1657133,,,,,,,,,,,,
DB11003,,Anthrax vaccine,approved,,,,404774,,,,,,,,,,,,
DB11004,,Betula pendula pollen,approved,,,,1306108,,,,,,,,,,,,
DB11005,,Ulmus parvifolia pollen,approved,,,,852844,,,,,,,,,,,,
DB11006,,Parkinsonia florida pollen,approved,,,,,,,,,,,,,,,,
DB11007,,Cytisus scoparius flowering top,approved,,,,2168418,,,,,,,,,,,,
DB11008,,Poultry,approved,,,,,,,,,,,,,,,,
DB11009,,"Quahog, unspecified",approved,,,,892539,,,,,,,,,,,,
DB11010,,"Cod, unspecified",approved,,,,1426437,,,,,,,,,,,,
DB11011,,Crab leg,approved,,,,892610,,,,,,,,,,,,
DB11014,,"Salmon, unspecified",approved,,,,1098247,,,,,,,,,,,,
DB11017,,Yeast,approved,,A07FA02,,236782,,,,,,,,,,,,
DB11018,,Canis lupus familiaris dander,approved,,,,2167551,,,,,,,,,,,,
DB11019,,Cavia porcellus dander,approved,,,,2166593,,,,,,,,,,,,
DB11020,,Bos taurus dander,approved,,,,2166591,,,,,,,,,,,,
DB11021,,Equus caballus dander,approved,,,,2167548,,,,,,,,,,,,
DB11022,,Aspergillus nidulans,approved,,,,1368357,,,,,,,,,,,,
DB11023,,Penicillium digitatum,approved,,,,1427044,,,,,,,,,,,,
DB11024,,Clonostachys rosea f. rosea,approved,,,,1426481,,,,,,,,,,,,
DB11025,,Dendryphiella vinosa,approved,,,,995703,,,,,,,,,,,,
DB11026,,Solenopsis richteri,approved,,,,995738,,,,,,,,,,,,
DB11027,,Polistes annularis venom protein,approved,,,,1294634,,,,,,,,,,,,
DB11028,,Polistes exclamans venom protein,approved,,,,1294628,,,,,,,,,,,,
DB11029,,Polistes metricus venom protein,approved,,,,1294630,,,,,,,,,,,,
DB11030,,Vespula germanica venom protein,approved,,,,1297531,,,,,,,,,,,,
DB11031,,Vespula pensylvanica venom protein,approved,,,,1297535,,,,,,,,,,,,
DB11032,,Vespula squamosa venom protein,approved,,,,1297533,,,,,,,,,,,,
DB11033,,Vespula vulgaris venom protein,approved,,,,285170,,,,,,,,,,,,
DB11034,,Influenza A virus A/Bolivia/559/2013 (H1N1) live (attenuated) antigen,"['approved', 'investigational']",,,,1664339,,,,,,,,,,,,
DB11035,,Influenza A virus A/Switzerland/9715293/2013 (H3N2) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB11036,,Influenza B virus B/Phuket/3073/2013 live (attenuated) antigen,approved,,,,1657228,,,,,,,,,,,,
DB11037,,Influenza B virus B/Brisbane/60/2008 live (attenuated) antigen,approved,,,,1657226,,,,,,,,,,,,
DB11038,,Influenza A virus A/Brisbane/59/2007(H1N1) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11039,,Influenza A virus A/Uruguay/716/2007(H3N2) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11040,,Influenza B virus B/Brisbane/60/2008 hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11041,,Influenza A virus A/California/7/2009 X-181 (H1N1) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11042,,Influenza A virus A/Victoria/210/2009 X-187 (H3N2) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11043,,Influenza A virus A/Victoria/210/2009 X-187 (H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11044,,Influenza B virus B/Brisbane/60/2008 antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11045,,Influenza A virus A/Texas/50/2012 X-223 (H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11046,,Influenza B virus B/Massachusetts/2/2012 BX-51B antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11047,,Influenza A virus A/Switzerland/9715293/2013 NIB-88 (H3N2) antigen (propiolactone inactivated),approved,,,,1657224,,,,,,,,,,,,
DB11048,,Influenza A virus A/California/7/2009(H1N1)-like hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB11050,,Typhoid Vaccine Live,approved,,,,762595,,,,,,,,,,,,
DB11051,,Azficel-T,"['approved', 'investigational']","['23566237', '21526076', '22092878', '22409385', '10423337', '18490597']",,,1114112,,,,,,,,,,,,
DB11054,,Human cord blood hematopoietic progenitor cell,approved,"['19277981', '16081348', '16399582', '16933834']",,,1307732,,,,,,,,,,,,
DB11056,7772-99-8,Stannous chloride,approved,789010,,,314853,,,,,,,,78067,5284466,[Cl-].[Cl-].[Sn++],InChI=1S/2ClH.Sn/h2*1H;/q;;+2/p-2,AXZWODMDQAVCJE-UHFFFAOYSA-L
DB11057,8042-47-5,Mineral oil,"['vet_approved', 'approved']",14555442,"['A06AA01', 'A06AA51']",,258439,,,,,,,,,,,,
DB11058,8009-03-8,Petrolatum,"['approved', 'investigational']",,,D05304,8091,,,,,,,,,,,,
DB11059,9000-11-7,Carboxymethylcellulose,"['approved', 'investigational']","['16511715', '17389485']",,,2062,,,,,,,,,,,,
DB11060,9002-89-5,Polyvinyl alcohol,approved,"['7674130', '12504164']",,,8570,,,,,,,,,,,,
DB11061,9003-39-8,Povidone,approved,"['10362983', '28648795']",,D02295,8610,,,,,,,,,,,,
DB11062,118-60-5,Octisalate,"['approved', 'investigational']",,,,91327,,,4241,,CHEMBL1329203,,OCTYL SALICYLATE,88639,8364,CCCCC(CC)COC(=O)C1=C(O)C=CC=C1,"InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3",FMRHJJZUHUTGKE-UHFFFAOYSA-N
DB11063,9005-65-6,Polysorbate 80,approved,"['14560928', '10537361', '19401168', '21348312', '16400901', '14967540']",,,8560,,,,,,,,,,,,
DB11064,118-56-9,Homosalate,"['approved', 'investigational']",,,,91326,,,3279,,CHEMBL1377575,,HOMOSALATE,91642,8362,CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1,"InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3",WSSJONWNBBTCMG-UHFFFAOYSA-N
DB11065,9000-90-2,Pancrelipase amylase,approved,"['22936895', '20510825']",,,1427033,,,,,,,,,,,,
DB11066,9001-94-9,Pancrelipase protease,approved,26559682,,,1427034,,,,,,,,,,,,
DB11067,,Heme iron polypeptide,investigational,,,,978673,,,,,,,,,,,,
DB11068,7783-08-6,Selenic acid,approved,"['23825349', '22381456', '10963212']",A12CE01,,,,SE4,,,CHEMBL2097002,50147596,SELENIC ACID,18170,21713352,O[Se](O)(=O)=O,"InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)",QYHFIVBSNOWOCQ-UHFFFAOYSA-N
DB11069,,Schizochytrium DHA oil,experimental,,,,1538275,,,,,,,,,,,,
DB11071,118-55-8,Phenyl salicylate,approved,"['14592543', '3888490', '26321725']",G04BX12,,36122,,,3462,ZINC000000038545,CHEMBL1339216,,,34918,8361,OC1=CC=CC=C1C(=O)OC1=CC=CC=C1,"InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H",ZQBAKBUEJOMQEX-UHFFFAOYSA-N
DB11072,7664-39-3,Hydrogen fluoride,"['approved', 'investigational']",,,,5496,,,4499,,CHEMBL1232767,,FLUORIDE,29228,14917,F,InChI=1S/FH/h1H,KRHYYFGTRYWZRS-UHFFFAOYSA-N
DB11073,7773-52-6,Cetylpyridinium,approved,"['11505791', '17635245']","['D08AJ03', 'R02AA06', 'B05CA01', 'D09AA07']",,2286,,,3083,ZINC000006845963,CHEMBL305906,80992,CEPACOL,32914,2683,CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1,"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1",NEUSVAOJNUQRTM-UHFFFAOYSA-N
DB11074,63148-62-9,Dimethicone,approved,12054019,P03AX05,,324072,,,,,,,,,,,,
DB11075,9004-65-3,Hypromellose,approved,"['15901342', '21092714']",S01KA02,,1363586,,,,,,,,,,,,
DB11077,25322-68-3,Polyethylene glycol 400,approved,"['23318816', '18174974', '11587486']",,,8514,,,,,,,,,,,,
DB11079,2174-16-5,Trolamine salicylate,approved,"['8876850', '18796932', '24312851', '19078236']",,,38866,,,,,CHEMBL2107288,,TRIETHANOLAMINE SALICYLATE,,25213,OCCN(CCO)CCO.OC(=O)C1=CC=CC=C1O,"InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2",UEVAMYPIMMOEFW-UHFFFAOYSA-N
DB11080,7761-88-8,Silver nitrate,"['approved', 'investigational']",,D08AL01,D01730,9789,,,,,CHEMBL177367,,SILVER NITRATE,32130,24470,[Ag+].[O-]N(=O)=O,InChI=1S/Ag.NO3/c;2-1(3)4/q+1;-1,SQGYOTSLMSWVJD-UHFFFAOYSA-N
DB11081,7446-70-0,Aluminum chloride,"['approved', 'investigational']","['25225553', '24250398']",D10AX01,,46241,,,,,CHEMBL3833401,,ALUMINUM CHLORIDE HEXAHYDRATE,30114,24012,Cl[Al](Cl)Cl,InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3,VSCWAEJMTAWNJL-UHFFFAOYSA-K
DB11082,8007-45-2,Coal tar,approved,,,,2635,,,,,,,,,,,,
DB11085,108-46-3,Resorcinol,approved,,"['S01AX06', 'D10AX02']",D00133,35382,,RCO,3524,ZINC000000002028,CHEMBL24147,26189,RESORCINOL,27810,5054,OC1=CC(O)=CC=C1,"InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",GHMLBKRAJCXXBS-UHFFFAOYSA-N
DB11086,8002-31-1,Cocoa butter,approved,"['25116848', '18715434', '25136602', '18830150', '16390538', '12589329']",,,21389,,,,,,,,,,,,
DB11087,8003-34-7,Pyrethrum extract,approved,,,,1232405,,,,,,,,,,,,
DB11088,68990-63-6,Shark liver oil,experimental,16875171,,,91472,,,,,,,,,,,,
DB11089,10041-19-7,Docusate,approved,"['10699540', '2414161', '22889861', '9663731', '27154771']",,D00305,82003,,,941,,CHEMBL1477036,,DOCUSATE,534,60110176,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O,"InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)",HNSDLXPSAYFUHK-UHFFFAOYSA-N
DB11090,7757-79-1,Potassium nitrate,approved,"['8039632', '3159503', '23674806', '1659333', '9536024']",,,34316,,,,,CHEMBL1644029,,POTASSIUM NITRATE,63043,24434,[K+].[O-][N+]([O-])=O,InChI=1S/K.NO3/c;2-1(3)4/q+1;-1,FGIUAXJPYTZDNR-UHFFFAOYSA-N
DB11091,7722-84-1,Hydrogen peroxide,"['vet_approved', 'approved']","['22532463', '20713407']","['A01AB02', 'S02AA06', 'D08AX01', 'D11AX25']",,5499,,PEO,3281,,CHEMBL71595,,HYDROGEN PEROXIDE,16240,784,OO,InChI=1S/H2O2/c1-2/h1-2H,MHAJPDPJQMAIIY-UHFFFAOYSA-N
DB11092,7783-47-3,Stannous fluoride,approved,"['19189400', '26030135', '20662911', '17645550', '13579125', '24693625', '27838508']",A01AA04,D05919,10030,,,4273,,,,,135933,10197804,F[Sn]F,InChI=1S/2FH.Sn/h2*1H;/q;;+2/p-2,ANOBYBYXJXCGBS-UHFFFAOYSA-L
DB11093,813-94-5,Calcium citrate,"['approved', 'investigational']","['10579145', '26174589']","['A12AA13', 'A11GB01']",,47613,,,,,CHEMBL2106123,,CITRACAL,190513,129679860,[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",FNAQSUUGMSOBHW-UHFFFAOYSA-H
DB11094,1406-16-2,Vitamin D,"['vet_approved', 'approved', 'nutraceutical']","['24885631', '187053', '15585789', '15531486']",,,11253,,,,,,,,,,,,
DB11095,120993-53-5,Desirudin,approved,,B01AE01,,114934,,,,,,,,,,,,
DB11096,134-09-8,Meradimate,approved,23320122,,,91324,,,4444,,CHEMBL1597075,,,135974,8633,CC(C)C1CCC(C)CC1OC(=O)C1=CC=CC=C1N,"InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3",SOXAGEOHPCXXIO-UHFFFAOYSA-N
DB11097,8063-16-9,Plantago seed,"['approved', 'investigational']",10022641,,,8928,,,,,,,,,,,,
DB11098,298-14-6,Potassium bicarbonate,approved,"['27455317', '25041141']",A12BA04,,34296,,,,,CHEMBL2106975,,POTASSIUM BICARBONATE,81862,21185546,[K+].OC([O-])=O,"InChI=1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",TYJJADVDDVDEDZ-UHFFFAOYSA-M
DB11099,,Crypthecodinium cohnii DHA oil,experimental,,,,1307710,,,,,,,,,,,,
DB11100,97-59-6,Allantoin,approved,"['20877959', '18900011', '16029681', '18636793']",,D00121,508,,,4268,,CHEMBL593429,,ALLANTOIN,15676,204,NC(=O)NC1NC(=O)NC1=O,"InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)",POJWUDADGALRAB-UHFFFAOYSA-N
DB11102,537-55-3,N-acetyltyrosine,approved,"['14621123', '3925425', '2507878']",,,31005,,3NF,4481,ZINC000000156395,CHEMBL65543,50043802,,21563,68310,CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1",CAHKINHBCWCHCF-JTQLQIEISA-N
DB11104,2551-62-4,Sulfur hexafluoride,approved,,,D05962,1599276,,,4039,ZINC000245224194,CHEMBL1796998,,SULFUR HEXAFLUORIDE LIPID-TYPE A MICROSPHERES,30496,17358,FS(F)(F)(F)(F)F,"InChI=1S/F6S/c1-7(2,3,4,5)6",SFZCNBIFKDRMGX-UHFFFAOYSA-N
DB11105,,Benzalkonium,"['approved', 'investigational']",14999632,"['R02AA16', 'D08AJ01', 'D09AA11']",,1378,,,,,,,,,,,,
DB11107,868-14-4,Potassium bitartrate,experimental,"['22926733', '17532693']",,D01561,223779,,,,,CHEMBL2105248,,POTASSIUM BITARTRATE,32034,23681127,[K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O,"InChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1/t1-,2-;/m1./s1",KYKNRZGSIGMXFH-ZVGUSBNCSA-M
DB11108,,Aluminum sesquichlorohydrate,approved,18727813,,,543375,,,,,,,,,,,,
DB11109,7782-50-5,Chlorine,experimental,,,,1310122,,,,,,,,29310,24526,ClCl,InChI=1S/Cl2/c1-2,KZBUYRJDOAKODT-UHFFFAOYSA-N
DB11110,3344-18-1,Magnesium citrate,approved,"['11569488', '26069819', '5383308', '14596323']","['B05CB03', 'A12CC04', 'A06AD19']",,52356,,,,,CHEMBL3989480,,MAGNESIUM CITRATE,131391,6099959,[Mg++].[Mg++].[Mg++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",PLSARIKBYIPYPF-UHFFFAOYSA-H
DB11111,,Witch hazel,nutraceutical,,,,89821,,,,,,,,,,,,
DB11112,8006-54-0,Lanolin,approved,"['29692852', '23665833']",,,6227,,,,,,,,,,,,
DB11113,8001-79-4,Castor oil,"['vet_approved', 'approved', 'nutraceutical', 'investigational']","['15919203', '27656091', '22615395', '10631825']",A06AB05,,2129,,,,,,,,,,,,
DB11114,8000-48-4,Eucalyptus oil,approved,"['12867494', '8864235', '10861965', '17154233', '17118653', '14678476', '11338678', '9737886', '18423004', '23853660', '11465406', '8866111', '9582001', '9810029', '9187519', '11167029', '15189289', '11159812', '23570005', '5440307', '10985073', '17896321']",,,59087,,,,,,,,,,,,
DB11115,27503-81-7,Ensulizole,approved,"['20574440', '23112351', '11883597']",,,13714,,,3179,ZINC000006467621,CHEMBL1987518,181124,ENSULIZOLE,135132,1712019,OS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1,"InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)",UVCJGUGAGLDPAA-UHFFFAOYSA-N
DB11116,134375-99-8,Aluminum zirconium trichlorohydrex gly,"['experimental', 'approved']",,,,1370425,,,,,,,,,,,,
DB11117,112-38-9,Undecylenic acid,"['approved', 'investigational']","['26902505', '26776224', '10991877']","['D01AE04', 'D01AE54']",,314881,,,3446,ZINC000001577120,CHEMBL1276010,50248304,UNDECYLENIC ACID,35045,5634,OC(=O)CCCCCCCCC=C,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",FRPZMMHWLSIFAZ-UHFFFAOYSA-N
DB11118,7664-41-7,Ammonia,approved,"['12207972', '27641632', '28151423', '20996000']",,,1299884,,,4625,,,,,,,,,
DB11119,7681-82-5,Sodium iodide,approved,,,,9884,,,,,CHEMBL1644695,50098561,RADIOCAPS-131,33167,5238,[Na+].[I-],InChI=1S/HI.Na/h1H;/q;+1/p-1,FVAUCKIRQBBSSJ-UHFFFAOYSA-M
DB11120,9005-90-7,Turpentine,"['experimental', 'approved']",,,,10938,,,,,,,,,,,,
DB11121,88-04-0,Chloroxylenol,approved,"['16747702', '7143213', '21017619', '9880479']",D08AE05,D03473,20877,,,3094,ZINC000000001132,CHEMBL398440,50238619,CHLOROXYLENOL,34393,2723,CC1=CC(O)=CC(C)=C1Cl,"InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",OSDLLIBGSJNGJE-UHFFFAOYSA-N
DB11123,14380-61-1,Hypochlorite,approved,"['17190269', '12238801']",D08AX07,,1483317,,,,,,,,29222,61739,[O-]Cl,InChI=1S/ClO/c1-2/q-1,WQYVRQLZKVEZGA-UHFFFAOYSA-N
DB11124,329-65-7,Racepinephrine,approved,"['15876347', '7767427']",,,66887,,,4508,,,,,,,,,
DB11125,10172-60-8,Benzethonium,approved,"['17000693', '15184143', '12595925']","['D08AJ08', 'R02AA09', 'D08AJ58']",,1390,,,,ZINC000001571009,CHEMBL1182210,50203812,NEOSTELIN GREEN,94725,2335,CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1,"InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1",SIYLLGKDQZGJHK-UHFFFAOYSA-N
DB11126,299-28-5,Calcium gluconate,"['vet_approved', 'approved']",2360741,"['A12AA03', 'D11AX03']",,1908,,,,,CHEMBL2106119,,CALCIUM GLUCONATE,3309,10982878,[Ca++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,"InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",NEEHYRZPVYRGPP-IYEMJOQQSA-L
DB11127,7783-00-8,Selenious acid,"['approved', 'investigational']","['25499746', '10469608', '1100438', '28070112', '25974694', '19722686', '11777029']",A12CE02,,36344,,,,,CHEMBL2009089,,SODIUM SELENITE,26642,1091,O[Se](O)=O,"InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)",MCAHWIHFGHIESP-UHFFFAOYSA-N
DB11128,12054-85-2,Ammonium molybdate,experimental,,,,17789,,,,,,,,,,[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6],InChI=1S/7Mo.6H3N.4H2O.24O/h;;;;;;;6*1H3;4*1H2;;;;;;;;;;;;;;;;;;;;;;;;/q7*+6;;;;;;;;;;;24*-2/p+6,FZDJSHPVOMNEIF-UHFFFAOYSA-T
DB11129,124-43-6,Carbamide peroxide,approved,"['25254197', '22666835', '15527615', '22031060']",,,47686,,,,,CHEMBL3184026,,,75178,31294,OO.NC(N)=O,"InChI=1S/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H",AQLJVWUFPCUVLO-UHFFFAOYSA-N
DB11130,8008-60-4,Opium,"['illicit', 'approved']","['14993340', '3599922', '24339374', '19471817', '19032172', '16803659', '20558018', '874779']","['N02AA02', 'A07DA02']",,7676,,,,,,,,,,,,
DB11131,8023-77-6,Capsicum oleoresin,approved,"['23023032', '22849599', '27367653', '27544798', '26554271']",,,235787,,,,,,,,,,,,
DB11132,7631-86-9,Silicon dioxide,approved,,,,314826,,,4284,,CHEMBL3188292,,,30563,24261,O=[Si]=O,InChI=1S/O2Si/c1-3-2,VYPSYNLAJGMNEJ-UHFFFAOYSA-N
DB11133,329042-31-1,Omega-3 fatty acids,"['approved', 'nutraceutical']","['26097787', '26681905', '22254027', '26740832', '1387231', '17459764', '17234605', '27063583', '24828044', '21884130', '11483627', '23471029']",,,4301,,,,,,,,,,,,
DB11134,1317-38-0,Cupric oxide,approved,"['22954531', '28248593']",,,21837,,,4291,,,,,75955,164827,[O--].[Cu++],InChI=1S/Cu.O/q+2;-2,KKCXRELNMOYFLS-UHFFFAOYSA-N
DB11135,7782-49-2,Selenium,"['vet_approved', 'approved', 'investigational']","['17322393', '10469608', '19109661', '15963339', '16105679', '19568888', '15657339', '15213043']",,,9641,,,,,,,,27568,6326970,[Se],InChI=1S/Se,BUGBHKTXTAQXES-UHFFFAOYSA-N
DB11136,7440-47-3,Chromium,approved,"['10705100', '22423897', '3886757']",,,2496,,,,,,,,28073,23976,[Cr],InChI=1S/Cr,VYZAMTAEIAYCRO-UHFFFAOYSA-N
DB11137,7439-98-7,Molybdenum,approved,,,,7024,,MO,,,,,,28685,23932,[Mo],InChI=1S/Mo,ZOKXTWBITQBERF-UHFFFAOYSA-N
DB11140,14392-02-0,Chromium Cr-51,approved,,,,1306065,,,,,,,,50076,104786,[51Cr],InChI=1S/Cr/i1-1,VYZAMTAEIAYCRO-BJUDXGSMSA-N
DB11141,6485-39-8,Manganese gluconate,approved,,,,52403,,,,,,,,,22988,[Mn++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,"InChI=1S/2C6H12O7.Mn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",OXHQNTSSPHKCPB-IYEMJOQQSA-L
DB11142,3211-76-5,Selenomethionine,"['approved', 'investigational']",,,,9644,,MSE,3544,,CHEMBL113178,,SELENOMETHIONINE,30021,53262363,C[Se]CC[C@H](N)C(O)=O,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",RJFAYQIBOAGBLC-BYPYZUCNSA-N
DB11143,1319-77-3,Cresol,approved,"['27084876', '22602', '14452711', '11669466', '12969155', '20067224']",,,62130,,,,,,,,,,,,
DB11144,68990-82-9,Hydrogenated palm kernel oil,experimental,,,,1309360,,,,,,,,,,,,
DB11145,148-24-3,Oxyquinoline,"['vet_approved', 'approved']",16835127,"['R02AA14', 'G01AC30', 'A01AB07', 'D08AH03']",,110,,HQY,3290,ZINC000000008492,CHEMBL310555,32203,8-HYDROXYQUINOLINE SULFATE,48981,1923,OC1=CC=CC2=C1N=CC=C2,"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H",MCJGNVYPOGVAJF-UHFFFAOYSA-N
DB11147,173762-83-9,Aluminum zirconium pentachlorohydrate,approved,,,,1306097,,,,,,,,,,,,
DB11148,94-25-7,Butamben,"['withdrawn', 'approved']","['22190922', '15923341', '15920194', '16368819']",,,19861,,,3051,ZINC000001530937,CHEMBL127516,50240094,BUTAMBEN PICRATE,3231,2482,CCCCOC(=O)C1=CC=C(N)C=C1,"InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3",IUWVALYLNVXWKX-UHFFFAOYSA-N
DB11149,90604-80-1,Aluminum zirconium tetrachlorohydrex gly,approved,,,,1305896,,,,,,,,,,,,
DB11150,7727-43-7,Barium sulfate,approved,"['12865956', '1889235']","['V08BA01', 'V08BA02']",,1331,,,,,CHEMBL2105897,,VARIBAR,133326,139207729,[Ba++].[O-]S([O-])(=O)=O,"InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",TZCXTZWJZNENPQ-UHFFFAOYSA-L
DB11151,1310-73-2,Sodium hydroxide,approved,16756599,,,9880,,,,,CHEMBL2105794,,SODIUM HYDROXIDE,32145,14798,[OH-].[Na+],InChI=1S/Na.H2O/h;1H2/q+1;/p-1,HEMHJVSKTPXQMS-UHFFFAOYSA-M
DB11152,76-03-9,Trichloroacetate,approved,,,,618564,,,3627,,,,,,,,,
DB11153,1310-58-3,Potassium hydroxide,approved,11750165,,D01168,34311,,,,,CHEMBL2103983,,POTASSIUM HYDROXIDE,32035,14797,[OH-].[K+],InChI=1S/K.H2O/h;1H2/q+1;/p-1,KWYUFKZDYYNOTN-UHFFFAOYSA-M
DB11154,546-46-3,Zinc citrate,investigational,24259556,,,236911,,,,,,,,,11023,[Zn++].[Zn++].[Zn++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",WGIWBXUNRXCYRA-UHFFFAOYSA-H
DB11155,101-20-2,Triclocarban,approved,"['24803507', '21381656', '21953915', '18048496', '24733789', '24740835']",,D06223,38609,,9EG,3630,ZINC000000121480,CHEMBL1076347,25730,TRICLOCARBAN,48347,7547,ClC1=CC=C(NC(=O)NC2=CC(Cl)=C(Cl)C=C2)C=C1,"InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)",ICUTUKXCWQYESQ-UHFFFAOYSA-N
DB11156,15686-83-6,Pyrantel,"['vet_approved', 'approved']","['25015542', '5417856', '7993990', '11489460', '12920490', '9024887']",P02CC01,D08451,8984,,,2999,ZINC000000097996,CHEMBL1626223,,PYRANTEL,8654,708857,[H]\C(=C(\[H])C1=NCCCN1C)C1=CC=CS1,"InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+",YSAUAVHXTIETRK-AATRIKPKSA-N
DB11157,1143-38-0,Anthralin,approved,"['15802490', '6203313', '125665', '10733674', '25208745', '6309924']","['D05AC01', 'D05AC51']",,873,,,226,ZINC000000001322,CHEMBL46469,50041802,ANTHRALIN,37510,2202,OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2,"InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2",NUZWLKWWNNJHPT-UHFFFAOYSA-N
DB11158,9000-69-5,Pectin,"['vet_approved', 'approved', 'investigational']","['9067088', '24864109', '26069505', '22190137']",A07BC01,,32987,,,,,,,,,,,,
DB11159,1313-82-2,Sodium sulfide,approved,21912243,,,1293719,,,,,CHEMBL2107611,,SODIUM SULFIDE,76208,14804,[Na+].[Na+].[S--],InChI=1S/2Na.S/q2*+1;-2,GRVFOGOEDUUMBP-UHFFFAOYSA-N
DB11160,92-12-6,Phenyltoloxamine,approved,"['13096396', '5492933', '23282332', '6483639', '23282578', '2569485', '821705']",,,33408,,,2150,ZINC000000001931,CHEMBL186720,50151046,,135047,7077,CN(C)CCOC1=CC=CC=C1CC1=CC=CC=C1,"InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",IZRPKIZLIFYYKR-UHFFFAOYSA-N
DB11161,25322-68-3,Polyethylene glycol 300,approved,16011869,,,8513,,,,,,,,,,,,
DB11164,121251-02-3,Bicisate,"['approved', 'investigational']","['9430465', '8263066', '8263067']",,,1306100,,,,ZINC000022593510,,,,,72048,CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC,"InChI=1S/C12H24N2O4S2/c1-3-17-11(15)9(7-19)13-5-6-14-10(8-20)12(16)18-4-2/h9-10,13-14,19-20H,3-8H2,1-2H3/t9-,10-/m0/s1",RZQNBTMGBODDSK-UWVGGRQHSA-N
DB11165,8050-09-7,Rosin,approved,2281306,,,1362931,,,,,,,,,,,,
DB11166,84720-88-7,Antithrombin Alfa,"['approved', 'investigational']",19141163,,,1427179,,,,,,,,,,,,
DB11168,70753-61-6,Calcium threonate,approved,21986570,,,273888,,,,,,,,,11162669,[Ca++].OC[C@H](O)[C@@H](O)C([O-])=O.OC[C@H](O)[C@@H](O)C([O-])=O,"InChI=1S/2C4H8O5.Ca/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m00./s1",ZJXGOFZGZFVRHK-BALCVSAKSA-L
DB11169,,Ferrous asparto glycinate,approved,,,,644718,,,,,,,,,,,,
DB11171,10028-22-5,Ferric sulfate,approved,"['10846729', '29259368', '7217377', '25825702', '14162333']",,,24913,,,,,,,,,23443659,O.O.O.O.O.[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1S/2Fe.3H2O4S.5H2O/c;;3*1-5(2,3)4;;;;;/h;;3*(H2,1,2,3,4);5*1H2/q2*+3;;;;;;;;/p-6",YHGPYBQVSJBGHH-UHFFFAOYSA-H
DB11172,8008-74-0,Sesame oil,"['nutraceutical', 'investigational']",17943496,,,1309247,,,,,,,,,,,,
DB11174,75443-64-0,2-(l-menthoxy)ethanol,experimental,,,,1428832,,,,,,,,,10219851,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO,"InChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12-/m1/s1",FVBGFZNFXUIHNC-GRYCIOLGSA-N
DB11175,17949-65-4,Zinc picolinate,investigational,3630857,,,58301,,,,,,,,,9904746,[Zn++].[O-]C(=O)C1=CC=CC=N1.[O-]C(=O)C1=CC=CC=N1,"InChI=1S/2C6H5NO2.Zn/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);/q;;+2/p-2",NHVUUBRKFZWXRN-UHFFFAOYSA-L
DB11176,144-68-3,Zeaxanthin,"['approved', 'investigational']",,,,39918,,,,ZINC000008220175,CHEMBL2359248,,ZEAXANTHIN,27547,5280899,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1",JKQXZKUSFCKOGQ-QAYBQHTQSA-N
DB11178,9005-64-5,Polysorbate 20,approved,,,,8559,,,,,,,,,,,,
DB11179,105613-48-7,Exametazime,approved,,,,62153,,,,,CHEMBL1615781,,,31586,9552071,C[C@@H](NCC(C)(C)CN[C@H](C)C(\C)=N\O)C(\C)=N\O,"InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10-/m1/s1",BPNZYADGDZPRTK-UDUYQYQQSA-N
DB11180,127502-06-1,Tetrofosmin,approved,"['8429340', '8326381']",,,1311569,,,3592,ZINC000003780929,CHEMBL1615784,,TETROFOSMIN,135598,4274,CCOCCP(CCOCC)CCP(CCOCC)CCOCC,"InChI=1S/C18H40O4P2/c1-5-19-9-13-23(14-10-20-6-2)17-18-24(15-11-21-7-3)16-12-22-8-4/h5-18H2,1-4H3",QCWJONLQSHEGEJ-UHFFFAOYSA-N
DB11181,87-00-3,Homatropine,approved,,S01FA05,,27084,,,1379,,CHEMBL1618018,50240066,HOMATROPINE,5747,,[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C,"InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?",ZTVIKZXZYLEVOL-MCOXGKPRSA-N
DB11182,,Rose bengal,"['approved', 'investigational']","['7545566', '8776564', '1637285', '982474', '27177220', '9591941']",S01JA02,,9471,,,,ZINC000150338646,CHEMBL1208422,50541116,ROSE BENGAL SODIUM I 131,87202,25474,OC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C(O)=C(I)C=C12,"InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)",VDNLFJGJEQUWRB-UHFFFAOYSA-N
DB11183,5141-20-8,Light green SF yellowish,"['experimental', 'approved']",,,,1305579,,,,,,,,87065,21223,[Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O,"InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2",DGOBMKYRQHEFGQ-UHFFFAOYSA-L
DB11184,1461-15-0,Oftasceine,approved,,,,1367088,,,4639,ZINC000004217203,CHEMBL1973733,,,51903,65079,OC(=O)CN(CC(O)=O)CC1=CC2=C(OC3=CC(O)=C(CN(CC(O)=O)CC(O)=O)C=C3C22OC(=O)C3=CC=CC=C23)C=C1O,"InChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)",DEGAKNSWVGKMLS-UHFFFAOYSA-N
DB11185,4065-45-6,Sulisobenzone,experimental,"['24407064', '26016852', '23815618']",,,1311567,,,3572,ZINC000001690324,CHEMBL2059073,,UVINUL MS 40,135312,19988,COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O,"InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)",CXVGEDCSTKKODG-UHFFFAOYSA-N
DB11186,77-23-6,Pentoxyverine,"['approved', 'investigational']","['24671376', '14691051', '2666123', '19034038', '23872380', '3768695']",R05DB05,,20217,,,494,ZINC000003830375,CHEMBL73234,94507,CARBETAPENTANE,94484,2562,CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1,"InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3",CFJMRBQWBDQYMK-UHFFFAOYSA-N
DB11187,,1-(c14-c18 esteroyl)-2-docosahexanoyl-sn-glycero-3-phosphocholine,experimental,,,,1591920,,,,,,,,,,,,
DB11188,,1-(c14-c18 esteroyl)-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine,experimental,,,,1591921,,,,,,,,,,,,
DB11189,14783-68-7,Magnesium glycinate,approved,,,,476818,,,,,,,,,84645,[Mg++].NCC([O-])=O.NCC([O-])=O,"InChI=1S/2C2H5NO2.Mg/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",AACACXATQSKRQG-UHFFFAOYSA-L
DB11190,16816-67-4,Pantethine,"['approved', 'investigational']","['19685700', '24600231']",A11HA32,D01234,32863,,,3417,ZINC000003874604,CHEMBL2104786,,PANTETHINE,31959,452306,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO,"InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1",DJWYOLJPSHDSAL-ROUUACIJSA-N
DB11191,13870-90-1,Cobamamide,nutraceutical,25117994,B03BA04,D00042,21373,,B1Z,,,,,,18408,,[C@H]1(C[Co-3]2345[N+]6=C7C(C)=C8N2[C@]([H])([C@H](CC(=O)N)[C@]8(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]2[C@@H](CO)O[C@H](N8C=[N+]3C3=CC(C)=C(C)C=C83)[C@@H]2O)C)[C@@]2(C)[C@@](CC(=O)N)([C@H](CCC(=O)N)C(C(C)=C3[N+]4=C(C=C6C([C@@H]7CCC(=O)N)(C)C)[C@@H](CCC(=O)N)[C@@]3(CC(=O)N)C)=[N+]52)C)O[C@@H](N2C3=C(N=C2)C(=NC=N3)N)[C@H](O)[C@@H]1O,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1",ZIHHMGTYZOSFRC-OUCXYWSSSA-L
DB11192,7306-96-9,L-threonic acid,experimental,,,,1547558,,LTH,,ZINC000000901061,CHEMBL2152047,50392477,L-THREONIC ACID,15908,5460407,[H][C@](O)(CO)[C@@]([H])(O)C(O)=O,"InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1",JPIJQSOTBSSVTP-STHAYSLISA-N
DB11193,9001-73-4,Papain,approved,25705851,,,7892,,,,,,,,,,,,
DB11195,87-99-0,Xylitol,"['experimental', 'investigational']","['21311610', '14700079', '25422590', '9003237', '21765599', '7607748']",,D00061,11377,,XYL,4604,ZINC000100018612,CHEMBL96783,,E-967,17151,,OC[C@H](O)[C@@H](O)[C@H](O)CO,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+",HEBKCHPVOIAQTA-SCDXWVJYSA-N
DB11197,,Ferrous cysteine glycinate,approved,,,,1490797,,,,,,,,,145994605,[Fe++].NCC(O)=O.[H][C@](N)(CS)C(O)=O.[H][C@](N)(C[S-])C([O-])=O,"InChI=1S/2C3H7NO2S.C2H5NO2.Fe/c2*4-2(1-7)3(5)6;3-1-2(4)5;/h2*2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5);/q;;;+2/p-2/t2*2-;;/m00../s1",NIBOCUPOPAKNJE-NVKWYWNSSA-L
DB11198,8006-90-4,Peppermint oil,"['approved', 'investigational']","['25584150', '17427617', '16121523', '23325948', '24100754', '16121522']",,,33094,,,,,,,,,,,,
DB11199,8022-56-8,Sage oil,nutraceutical,"['24224168', '24860730']",,,1305661,,,,,,,,,,,,
DB11200,174514-58-0,Aluminum zirconium octachlorohydrex gly,approved,"['26855863', '16045991', '7673497', '27755864']",,,1306096,,,,,,,,,72941670,O.O.[Al+3].[Cl-].[Zr+4].NCC([O-])=O,"InChI=1S/C2H5NO2.Al.ClH.2H2O.Zr/c3-1-2(4)5;;;;;/h1,3H2,(H,4,5);;1H;2*1H2;/q;+3;;;;+4/p-2",WYANSMZYIOPJFV-UHFFFAOYSA-L
DB11201,89-46-3,Menthyl salicylate,approved,,,,1368207,,,4460,ZINC000000002060,,,,135976,20055232,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC=CC=C1O,"InChI=1S/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3/t12-,13+,16-/m1/s1",SJOXEWUZWQYCGL-DVOMOZLQSA-N
DB11202,,N-alkyl ethylbenzyl dimethyl ammonium (C12-C14),approved,"['11556761', '7548971', '4292825']",,,1422066,,,,,,,,,,,,
DB11203,7440-42-8,Boron,experimental,,,,1705,,,,,,,,27560,5462311,[B],InChI=1S/B,ZOXJGFHDIHLPTG-UHFFFAOYSA-N
DB11204,16485-10-2,Panthenol,approved,"['28503966', '14641355']",,D03726,1044977,,,,,CHEMBL1371937,,DEXPANTHENOL,,4678,CC(C)(CO)C(O)C(=O)NCCCO,"InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)",SNPLKNRPJHDVJA-UHFFFAOYSA-N
DB11205,1317-25-5,Alcloxa,approved,,,,1305554,,,,,,,,,,[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-].NC(=O)NC1NC(=O)[N-]C1=O,"InChI=1S/C4H6N4O3.2Al.ClH.4H2O/c5-3(10)6-1-2(9)8-4(11)7-1;;;;;;;/h1H,(H5,5,6,7,8,9,10,11);;;1H;4*1H2/q;2*+3;;;;;/p-6",IMZDRXBSGZPLDE-UHFFFAOYSA-H
DB11206,187393-00-6,Bemotrizinol,approved,"['19002338', '11754532', '11594052', '23320122']",,,1306115,,,3014,,CHEMBL2104956,,TINOSORB S,135857,135487856,CCCCC(CC)COC1=CC(O)=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(OC)C=C1)C1=C(O)C=C(OCC(CC)CCCC)C=C1,"InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3",XVAMCHGMPYWHNL-UHFFFAOYSA-N
DB11207,71617-10-2,Amiloxate,approved,"['22512578', '23284607']",,,1426854,,,4500,ZINC000001600509,CHEMBL1476782,,E-1000,,1549789,COC1=CC=C(\C=C\C(=O)OCCC(C)C)C=C1,"InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+",UBNYRXMKIIGMKK-RMKNXTFCSA-N
DB11208,53026-85-0,Aluminum chlorohydrex propylene glycol,approved,,,,1313224,,,,,,,,,,,,
DB11209,250705-13-6,Iron protein succinylate,"['approved', 'investigational']",,B03AB09,,27823,,,,,,,,,,,,
DB11210,20150-34-9,Ferrous bisglycinate,approved,"['24152889', '11688084']",,,1102188,,,,,,,,,9837124,[Fe++].NCC([O-])=O.NCC([O-])=O,"InChI=1S/2C2H5NO2.Fe/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",GIPOFCXYHMWROH-UHFFFAOYSA-L
DB11211,20548-54-3,Calcium sulfide,experimental,,,,90521,,,,,,,,81055,10197613,[S--].[Ca++],InChI=1S/Ca.S/q+2;-2,AGVJBLHVMNHENQ-UHFFFAOYSA-N
DB11217,497-76-7,Arbutin,approved,"['24189417', '19387580', '9711535', '8632348', '15056856']",,,1367175,,,4267,ZINC000000518554,CHEMBL232202,50219502,ARBUTIN,18305,440936,OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",BJRNKVDFDLYUGJ-RMPHRYRLSA-N
DB11218,68647-73-4,Tea tree oil,"['experimental', 'nutraceutical']","['12019108', '22998411', '16418522']",,,69627,,,,,,,,,,,,
DB11219,36861-47-9,Enzacamene,approved,"['26888529', '19885997', '18221342', '23320122', '15589235', '16806338']",,,1311507,,,4292,,CHEMBL2104261,50103609,,135937,6434217,CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1,"InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+",HEOCBCNFKCOKBX-SDNWHVSQSA-N
DB11220,557-61-9,Octacosanol,nutraceutical,12591561,,,12166,,O8N,4668,ZINC000008221075,CHEMBL1951714,,OCTACOSANOL,28243,68406,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3",CNNRPFQICPFDPO-UHFFFAOYSA-N
DB11221,131-53-3,Dioxybenzone,approved,"['27690075', '23749905', '28959646']",,D03853,23350,,,3159,ZINC000000037293,CHEMBL1326877,,,34208,8569,COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1O,"InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3",MEZZCSHVIGVWFI-UHFFFAOYSA-N
DB11222,9000-05-9,Benzoin resin,approved,15398751,,,1406,,,,,,,,,,,,
DB11223,9000-64-0,Tolu balsam,experimental,,,,1116238,,,,,,,,,,,,
DB11224,8046-19-3,Liquidambar styraciflua resin,experimental,,,,1313242,,,,,,,,,,,,
DB11225,9004-99-3,Peg-100 stearate,approved,,,,1367120,,,,,,,,,,,,
DB11226,947753-66-4,Ethylhexyl methoxycrylene,"['experimental', 'approved']","['11702366', '23136952']",,,1311616,,,,,,,,,66661267,CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=C(OC)C=C1,"InChI=1S/C25H29NO3/c1-4-6-10-19(5-2)18-29-25(27)23(17-26)24(20-11-8-7-9-12-20)21-13-15-22(28-3)16-14-21/h7-9,11-16,19H,4-6,10,18H2,1-3H3",WAJCJDLRJVDSSD-UHFFFAOYSA-N
DB11227,,Thermus thermophilus lysate,experimental,,,,1306060,,,,,,,,,,,,
DB11228,9004-67-5,Methylcellulose,approved,,A06AC06,D04996,6873,,,,,,,,,,,,
DB11229,,Padimate A,"['withdrawn', 'experimental']",,,,1363712,,,,,,,,,,,,
DB11230,1327-43-1,Magnesium Aluminum Silicate,approved,12851164,,,17614,,,,,,,,,,,,
DB11231,502-65-8,Lycopene,"['approved', 'investigational']","['22129335', '11022591', '10674200']",,,29008,,LYC,4617,ZINC000008214943,CHEMBL501174,,ATERONON,15948,446925,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C,"InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+",OAIJSZIZWZSQBC-GYZMGTAESA-N
DB11232,100843-69-4,Saccharide isomerate,approved,,,,1314278,,,,,,,,,,,,
DB11233,126-45-4,Silver citrate,experimental,,,,1306066,,,,,,,,,101599,[Ag+].[Ag+].[Ag+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/C6H8O7.3Ag/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",QUTYHQJYVDNJJA-UHFFFAOYSA-K
DB11234,9012-76-4,Poliglusam,experimental,,,,1368152,,,,,,,,,,,,
DB11235,91-85-0,Thonzylamine,approved,"['18888474', '18858080']","['R06AC06', 'D04AA01', 'R01AC06']",,1360721,,,2642,ZINC000000057513,CHEMBL1623738,,,104017,5457,COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1,"InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3",GULNIHOSWFYMRN-UHFFFAOYSA-N
DB11236,25322-68-3,Polyethylene glycol 3500,experimental,,,,1312707,,,,,,,,,,,,
DB11237,9002-07-7,Trypsin,"['vet_approved', 'approved']",19180666,"['M09AB52', 'D03BA01', 'B06AA07']",,10890,,,,,,,,,,,,
DB11238,,Borage oil,"['approved', 'investigational']","['20579590', '10233322', '9250695', '12368400']",,,68905,,,,,,,,,,,,
DB11239,10043-01-3,Aluminum sulfate,approved,"['25314162', '10999429', '10437134', '16045991']",,,17621,,,,,CHEMBL3833402,,ALUMINUM SULFATE,74768,75366293,[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,"InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",DIZPMCHEQGEION-UHFFFAOYSA-H
DB11242,9000-70-8,Gelatin,"['vet_approved', 'approved']","['25884286', '13276342', '11349896', '27481739', '11012529', '17402491', '25410396', '11592686', '20691955']",B05AA06,,4716,,,,,,,,,,,,
DB11243,,Ethyl macadamiate,approved,,,,1314358,,,,,,,,,,,,
DB11244,541-02-6,Cyclomethicone 5,experimental,,,,1305744,,,,ZINC000169743678,CHEMBL1885178,,,191092,10913,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,"InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3",XMSXQFUHVRWGNA-UHFFFAOYSA-N
DB11246,527-09-3,Copper gluconate,"['approved', 'investigational']",,,,2839,,,,,,,,31431,10692,[Cu++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,"InChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",OCUCCJIRFHNWBP-IYEMJOQQSA-L
DB11247,,Sambucus nigra flowering top,experimental,,,,1307698,,,,,,,,,,,,
DB11248,4468-02-4,Zinc gluconate,"['vet_approved', 'approved']","['12424502', '2820298', '15615872', '16372518', '9612589', '24259556']","['C05AX04', 'A12CB02']",,58300,,,,,CHEMBL3833377,,ZINC GLUCONATE,29708,443445,[Zn++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,"InChI=1S/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",WHMDKBIGKVEYHS-IYEMJOQQSA-L
DB11250,31566-31-1,Glyceryl monostearate,experimental,,,,1311155,,,,,CHEMBL255696,,GLYCERYL MONOSTEARATE,75555,24699,CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3",VBICKXHEKHSIBG-UHFFFAOYSA-N
DB11251,1406-66-2,Tocopherol,"['approved', 'investigational']","['26981194', '23582353', '26751721', '17561088', '26272221', '10385606', '24119503', '12537931', '27493840']",A11HA03,,1236136,,,,,,,,,,,,
DB11252,691397-13-4,Poloxamer 407,investigational,,,,155155,,,,,,,,,,,,
DB11253,11138-66-2,Xanthan gum,approved,,,,1307815,,,,,,,,,,,,
DB11254,136-77-6,Hexylresorcinol,approved,"['22579007', '28930240', '29011050']",R02AA12,,5321,,,1374,ZINC000001576892,CHEMBL443605,50292636,HEXYLRESORCINOL,93749,3610,CCCCCCC1=C(O)C=C(O)C=C1,"InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3",WFJIVOKAWHGMBH-UHFFFAOYSA-N
DB11255,14639-25-9,Chromium picolinate,approved,17109600,,,59308,,,,,,,,50369,56840998,[Cr+3].[O-]C(=O)C1=NC=CC=C1.[O-]C(=O)C1=NC=CC=C1.[O-]C(=O)C1=NC=CC=C1,"InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3",CBDQOLKNTOMMTL-UHFFFAOYSA-K
DB11256,31690-09-2,Levomefolic acid,"['approved', 'investigational']","['24392264', '21877996', '21967158', '27008238', '16825690', '18950248', '21311704', '22171769', '14769778', '20608755', '22067790']",,,1025342,PA166129561,THH,4621,ZINC000002005305,CHEMBL1231574,50391007,(6S)-5-METHYLTETRAHYDROFOLATE,136009,135398561,CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2,"InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1",ZNOVTXRBGFNYRX-STQMWFEESA-N
DB11257,16984-48-8,Fluoride ion,approved,,,,196213,,F,,,,26978,,17051,28179,[F-],InChI=1S/FH/h1H/p-1,KRHYYFGTRYWZRS-UHFFFAOYSA-M
DB11259,520-34-3,Diosmetin,experimental,"['20133810', '24092244']",,,1314347,,J8D,4601,ZINC000005733652,CHEMBL90568,23414,,4630,5281612,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O,"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3",MBNGWHIJMBWFHU-UHFFFAOYSA-N
DB11260,218916-52-0,Diacetyl benzoyl lathyrol,approved,,,,1426391,,,4620,ZINC000096903163,CHEMBL552128,,,136008,10577938,C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(=O)C1=CC=CC=C1)[C@@H](OC(C)=O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",JPYYWXPAHJBKJX-VWSFRBHVSA-N
DB11261,,Atractylodes japonica root,approved,,,,1307719,,,,,,,,,,,,
DB11262,103597-45-1,Bisoctrizole,approved,23320122,,,1310510,,,3031,ZINC000011677911,CHEMBL2104957,,BISOCTRIZOLE,135865,3571576,CC(C)(C)CC(C)(C)C1=CC(CC2=C(O)C(=CC(=C2)C(C)(C)CC(C)(C)C)N2N=C3C=CC=CC3=N2)=C(O)C(=C1)N1N=C2C=CC=CC2=N1,"InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3",FQUNFJULCYSSOP-UHFFFAOYSA-N
DB11263,27208-80-6,Polydatin,approved,"['22956122', '21369944', '23862567', '24138806']",,,1364277,,,4613,ZINC000004098633,CHEMBL142652,60919,POLYDATIN,8198,5281718,OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",HSTZMXCBWJGKHG-CUYWLFDKSA-N
DB11264,27214-00-2,Calcium glycerophosphate,approved,"['1904952', '15509082']",,D01488,1909,,,,,CHEMBL3707206,,,31336,62820,[Ca++].OCC(CO)OP([O-])([O-])=O,"InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2",UHHRFSOMMCWGSO-UHFFFAOYSA-L
DB11265,,Curcuma xanthorrhiza oil,nutraceutical,"['25133223', '26500452', '25190883']",,,1306094,,,,,,,,,,,,
DB11266,,Sea salt,approved,,,,1311499,,,,,,,,,,,,
DB11267,2943-75-1,Triethoxycaprylylsilane,experimental,,,,1310586,,,4640,ZINC000169743188,CHEMBL3185786,,,136012,76262,CCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1S/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3",MSRJTTSHWYDFIU-UHFFFAOYSA-N
DB11268,139-85-5,Protocatechualdehyde,experimental,"['24712725', '23159608']",,,1362689,,H6N,4612,ZINC000000013245,CHEMBL222021,50192743,,50205,8768,[H]C(=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H",IBGBGRVKPALMCQ-UHFFFAOYSA-N
DB11269,302776-68-7,Diethylamino hydroxybenzoyl hexyl benzoate,approved,"['25693827', '28042100', '23284607']",,,1426392,,,4602,ZINC000034230491,,,,136006,10111431,CCCCCCOC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1O)N(CC)CC,"InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3",FDATWRLUYRHCJE-UHFFFAOYSA-N
DB11270,,Atractylodes japonica root oil,experimental,26919689,,,1305643,,,,,,,,,,,,
DB11271,207574-74-1,Polysilicone-15,approved,11702366,,,1367142,,,,,,,,,,,,
DB11272,1246371-29-8,Methyl undecenoyl leucinate,experimental,,,,1427065,,,,,,,,,56843908,COC(=O)[C@H](CC(C)C)NC(=O)CCCCCCCCC=C,"InChI=1S/C18H33NO3/c1-5-6-7-8-9-10-11-12-13-17(20)19-16(14-15(2)3)18(21)22-4/h5,15-16H,1,6-14H2,2-4H3,(H,19,20)/t16-/m0/s1",ICMAWHHKHYZNDA-INIZCTEOSA-N
DB11273,25447-65-8,Dihydroergocornine,approved,"['18152249', '15415441', '16695718', '7063048', '18731688', '15395942']",,,3415,,,3184,ZINC000004215648,CHEMBL2365712,,,59909,168871,[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,"InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1",SEALOBQTUQIVGU-QNIJNHAOSA-N
DB11274,25447-66-9,Dihydro-alpha-ergocryptine,approved,"['9925236', '10423622', '11332869', '15553103', '14523624', '12211143', '12567910', '7548782', '8141809', '16618013', '19709931', '1769319', '6805543', '12713527', '11503008']",,,91170,,,4420,ZINC000003929793,CHEMBL1743263,50390994,DIHYDROERGOCRYPTINE,59919,114948,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,"InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1",PBUNVLRHZGSROC-VTIMJTGVSA-N
DB11275,88660-47-3,Epicriptine,approved,,,,91171,,,4148,ZINC000004215812,CHEMBL2106411,,,135927,65667,[H][C@@]12CCCN1C(=O)[C@]([H])([C@H](C)CC)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,"InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20-,22-,24-,25+,27+,31-,32+/m1/s1",SBFXHXZNBNFPHV-PXXBSISHSA-N
DB11276,8000-26-8,Pine needle oil (pinus mugo),experimental,26753115,,,1360627,,,,,,,,,,,,
DB11277,,Aluminum zirconium pentachlorohydrex gly,approved,,,,1305899,,,,,,,,,,,,
DB11278,1201-56-5,DL-Methylephedrine,approved,"['2327112', '17676524']",,,1546444,,,,ZINC000000000491,CHEMBL445001,,,113556,64782,C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C,"InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1",FMCGSUUBYTWNDP-ONGXEEELSA-N
DB11279,18198-35-1,Brilliant green cation,"['vet_approved', 'approved']",,,,1546367,,,,ZINC000004235575,CHEMBL1589793,81263,,88176,12450,CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC,"InChI=1S/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1",HXCILVUBKWANLN-UHFFFAOYSA-N
DB11281,5892-10-4,Bismuth subcarbonate,"['experimental', 'vet_approved']",,,,19475,,,,,,,,,9827661,[O--].[O--].[Bi+3].[Bi+3].[O-]C([O-])=O,"InChI=1S/CH2O3.2Bi.2O/c2-1(3)4;;;;/h(H2,2,3,4);;;;/q;2*+3;2*-2/p-2",FWIZHMQARNODNX-UHFFFAOYSA-L
DB11282,134-62-3,Diethyltoluamide,approved,"['18339904', '12900480', '21671117', '25101788']",P03BX01,D02379,3129,,DE3,4418,ZINC000000001291,CHEMBL1453317,,DIETHYLTOLUAMIDE,7071,4284,CCN(CC)C(=O)C1=CC(C)=CC=C1,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",MMOXZBCLCQITDF-UHFFFAOYSA-N
DB11283,18656-38-7,DL-dimyristoylphosphatidylcholine,approved,15032302,,,1362902,,,4651,,CHEMBL316257,,,241349,26197,CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3",CITHEXJVPOWHKC-UHFFFAOYSA-N
DB11284,61361-72-6,DL-dimyristoylphosphatidylglycerol,approved,15032302,,,1427048,,,4650,,,,,,107767,CCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C34H67O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)41-29-32(30-43-45(39,40)42-28-31(36)27-35)44-34(38)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,39,40)",BPHQZTVXXXJVHI-UHFFFAOYSA-N
DB11285,4046-02-0,Ethyl ferulate,"['experimental', 'approved']",,,,1420983,,ZYC,,ZINC000000160496,CHEMBL286796,50297424,,,736681,[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)OCC,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",ATJVZXXHKSYELS-FNORWQNLSA-N
DB11286,,Colloidal oatmeal,"['approved', 'nutraceutical']",17373175,,,221082,,,,,,,,,,,,
DB11288,507-70-0,Borneol,experimental,,,,1368202,,,,,CHEMBL1097205,,,28093,64685,CC1(C)C2CCC1(C)C(O)C2,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",DTGKSKDOIYIVQL-UHFFFAOYSA-N
DB11289,26403-67-8,Methicone (20 CST),experimental,,,,1313720,,,,,,,,,,,,
DB11290,637-12-7,Aluminium tristearate,"['experimental', 'vet_approved']",,,,46243,,,,,,,,37867,12496,[Al+3].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O,"InChI=1S/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3",CEGOLXSVJUTHNZ-UHFFFAOYSA-K
DB11291,5444-75-7,2-ethylhexyl benzoate,experimental,,,,1313732,,,,,CHEMBL3184685,,,,94310,CCCCC(CC)COC(=O)C1=CC=CC=C1,"InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3",UADWUILHKRXHMM-UHFFFAOYSA-N
DB11293,,Rice bran oil,approved,,,,1309223,,,,,,,,,,,,
DB11294,,Coccidioides immitis spherule,approved,28367149,,,1549330,,,,,,,,,,,,
DB11295,,Trichophyton verrucosum,approved,,,,1310905,,,,,,,,,,,,
DB11296,49557-75-7,Prezatide,experimental,"['22666519', '8227353', '19071668', '3169264', '7498545', '26236730', '17689198', '9187381', '1522753', '11045606']",,,1368533,,,,ZINC000013507674,CHEMBL1814493,50350478,,75430,73587,NCCCC[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)CN)C(O)=O,"InChI=1S/C14H24N6O4/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24)/t10-,11-/m0/s1",MVORZMQFXBLMHM-QWRGUYRKSA-N
DB11297,147732-56-7,Palmitoyl oligopeptide,experimental,,,,1722914,,,,ZINC000113569616,,,,,10231864,CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCCCN)C(O)=O,"InChI=1S/C30H54N6O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27(37)33-22-28(38)35-26(20-24-21-32-23-34-24)29(39)36-25(30(40)41)17-15-16-19-31/h21,23,25-26H,2-20,22,31H2,1H3,(H,32,34)(H,33,37)(H,35,38)(H,36,39)(H,40,41)/t25-,26-/m0/s1",BYUQATUKPXLFLZ-UIOOFZCWSA-N
DB11298,52500-60-4,Thioredoxin,approved,,,,1314275,,,,,,,,,,,,
DB11299,82654-98-6,Vanillyl butyl ether,approved,,,,1313189,,,,ZINC000002561203,,,,,5084146,CCCCOCC1=CC(OC)=C(O)C=C1,"InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3",VLDFMKOUUQYFGF-UHFFFAOYSA-N
DB11300,,Thrombin,"['approved', 'investigational']",17635715,"['B02BD30', 'B02BC06']",,10528,,,,,,,,,,,,
DB11301,94349-73-2,Curcuma aromatica root oil,approved,,,,1482794,,,,,,,,,,,,
DB11302,8016-70-4,Hydrogenated soybean oil,experimental,,,,1309222,,,,,,,,,,,,
DB11304,122-99-6,Phenoxyethanol,approved,"['7764595', '26188115', '2324842']",,,89552,,268,3442,ZINC000001577061,CHEMBL1229846,,PHENYL CELLOSOLVE,64275,31236,,"InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",QCDWFXQBSFUVSP-UHFFFAOYSA-N
DB11305,61789-80-8,Quaternium-18,experimental,,,,1363625,,,,,,,,,,,,
DB11306,,Bentonite,approved,,,,1375,,,,,,,,,,,,
DB11309,7664-93-9,Sulfuric acid,experimental,,,D05963,10231,,,,,CHEMBL572964,,SULFURIC ACID,26836,5152822,OS(O)(=O)=O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",QAOWNCQODCNURD-UHFFFAOYSA-N
DB11311,9001-26-7,Prothrombin,approved,25535411,,,1441689,,,,,,,,,,,,
DB11312,,Protein C,approved,2959034,B01AD12,D08796,723868,,,,,,,,,,,,
DB11313,195868-36-1,Phenyl trimethicone,experimental,,,,1310585,,,,,,,,,,,,
DB11315,13265-10-6,Methscopolamine,approved,,"['A03BB03', 'A03CB01', 'S01FA03']",,89785,,3C0,1757,ZINC000100047524,CHEMBL376897,50241132,HOLOPON,135361,,C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1",LZCOQTDXKCNBEE-IKIFYQGPSA-N
DB11318,133831-23-9,"1,2-Docosahexanoyl-sn-glycero-3-phosphoserine",experimental,,,,1549115,,,,ZINC000169627513,,,,185218,46891812,[H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COP(O)(=O)OC[C@]([H])(N)C(O)=O)OC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC,"InChI=1S/C50H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,46-47H,3-4,9-10,15-16,21-22,27-28,33-34,39-45,51H2,1-2H3,(H,54,55)(H,56,57)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t46-,47+/m1/s1",RJCZACBLQGCNCW-MCEXTTDUSA-N
DB11321,8001-69-2,Cod liver oil,"['vet_approved', 'nutraceutical']","['1557095', '25325252', '10617975', '12897318', '12540650']",,,2669,,,,,,,,,,,,
DB11323,87-28-5,Glycol salicylate,approved,"['9690946', '1554971', '19641282', '16441948', '7851817', '17364628', '7437270', '19633779']",,,26051,,,3269,ZINC000001698306,CHEMBL173562,,,86541,6880,OCCOC(=O)C1=CC=CC=C1O,"InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2",LVYLCBNXHHHPSB-UHFFFAOYSA-N
DB11324,2444-46-4,Nonivamide,investigational,"['23929722', '28008281', '18615132', '25929250', '6202305', '25307998', '25422952', '24753478', '27666931', '28012242']",,,31945,,,,ZINC000001697652,CHEMBL75124,50044767,NONIVAMIDE,46936,2998,CCCCCCCCC(=O)NCC1=CC(OC)=C(O)C=C1,"InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)",RGOVYLWUIBMPGK-UHFFFAOYSA-N
DB11325,129311-52-0,Soy sterol,experimental,,,,1363446,,,,,,,,,,,,
DB11326,10043-35-3,Boric acid,approved,"['19059942', '21774671', '1432568']",S02AA03,,1700,,BO3,3035,ZINC000245189278,CHEMBL42403,39817,BORIC ACID,33118,7628,OB(O)O,InChI=1S/BH3O3/c2-1(3)4/h2-4H,KGBXLFKZBHKPEV-UHFFFAOYSA-N
DB11327,3696-28-4,Dipyrithione,approved,"['24139500', '21947398', '7287959', '24333958']",,,1362743,,,4649,ZINC000001751811,CHEMBL549473,,,136010,3109,[O-][N+]1=CC=CC=C1SSC1=CC=CC=[N+]1[O-],InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H,ZHDBTKPXEJDTTQ-UHFFFAOYSA-N
DB11328,300-52-7,Tetradecyl hydrogen sulfate (ester),approved,,,,1370424,,,,,CHEMBL1201345,,SOTRADECOL,75275,8771,CCCCC(CC)CCC(CC(C)C)OS(O)(=O)=O,"InChI=1S/C14H30O4S/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17/h12-14H,5-11H2,1-4H3,(H,15,16,17)",GROJOWHVXQYQGN-UHFFFAOYSA-N
DB11329,246538-76-1,C11-12 isoparaffin,approved,,,,1609072,,,,,,,,,,,,
DB11330,37224-63-8,Factor IX Complex (Human),"['approved', 'investigational']","['27546767', '26685667', '27488143']",,,1670383,,,,,,,,,,,,
DB11331,185435-28-3,1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)),"['experimental', 'approved']",,,,1440971,,,,,,,,34080,5283509,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37?,38-/m1/s1",PAZGBAOHGQRCBP-DDDNOICHSA-N
DB11332,138531-07-4,Sinapultide,approved,"['16871629', '29121767']",,,1440288,,,,,CHEMBL2103901,,SINAPULTIDE,,16132243,CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O,"InChI=1S/C126H238N26O22/c1-69(2)53-90(137-106(153)85(132)43-33-38-48-127)114(161)145-98(61-77(17)18)122(169)149-99(62-78(19)20)118(165)141-91(54-70(3)4)110(157)133-86(44-34-39-49-128)107(154)138-95(58-74(11)12)115(162)146-103(66-82(27)28)123(170)150-100(63-79(21)22)119(166)142-92(55-71(5)6)111(158)134-87(45-35-40-50-129)108(155)139-96(59-75(13)14)116(163)147-104(67-83(29)30)124(171)151-101(64-80(23)24)120(167)143-93(56-72(7)8)112(159)135-88(46-36-41-51-130)109(156)140-97(60-76(15)16)117(164)148-105(68-84(31)32)125(172)152-102(65-81(25)26)121(168)144-94(57-73(9)10)113(160)136-89(126(173)174)47-37-42-52-131/h69-105H,33-68,127-132H2,1-32H3,(H,133,157)(H,134,158)(H,135,159)(H,136,160)(H,137,153)(H,138,154)(H,139,155)(H,140,156)(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,145,161)(H,146,162)(H,147,163)(H,148,164)(H,149,169)(H,150,170)(H,151,171)(H,152,172)(H,173,174)/t85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-/m0/s1",QSIRXSYRKZHJHX-TWXHAJHVSA-N
DB11333,691397-13-4,Poloxamer 188,"['approved', 'investigational']","['16206978', '20517088', '12173548', '23092436', '20421622', '11867460', '15458603', '23613890']",,,155152,,,,,,,,,,,,
DB11335,129499-78-1,Ascorbyl glucoside,experimental,,,,1306933,,,,ZINC000100022089,CHEMBL2011961,,,81685,54693473,OC[C@H](O)[C@H]1OC(=O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O,"InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1",MLSJBGYKDYSOAE-DCWMUDTNSA-N
DB11336,525-79-1,Kinetin,approved,18047609,,,16054,,H35,3976,ZINC000000001601,CHEMBL228792,39302,,27407,3830,C(NC1=NC=NC2=C1NC=N2)C1=CC=CO1,"InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)",QANMHLXAZMSUEX-UHFFFAOYSA-N
DB11337,1637-39-4,Zeatin,experimental,,,,1440227,,ZEA,,ZINC000004492895,CHEMBL525239,227637,,16522,449093,C\C(CO)=C/CNC1=C2N=CNC2=NC=N1,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",UZKQTCBAMSWPJD-FARCUNLSSA-N
DB11338,8000-34-8,Clove oil,"['approved', 'nutraceutical']","['1818340', '24031950', '28407719', '2333717', '17321520', '25182278', '16390816', '15922856']",,,7624,,,,,,,,,,,,
DB11340,992-78-9,Ubiquinol,"['approved', 'investigational']","['1637852', '8241707']",,,39085,,,,ZINC000085574641,,,,64183,9962735,COC1=C(OC)C(O)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(C)=C1O,"InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",QNTNKSLOFHEFPK-UPTCCGCDSA-N
DB11341,8029-68-3,Ichthammol,approved,,,,5645,,,,,,,,,,,,
DB11342,1344-28-1,Aluminum oxide,approved,,D10AX04,,615,,,4438,,,,,,9989226,[O--].[O--].[O--].[Al+3].[Al+3],InChI=1S/2Al.3O/q2*+3;3*-2,PNEYBMLMFCGWSK-UHFFFAOYSA-N
DB11343,70131-67-8,Silanol,approved,,,,1601667,,,,,,,,37173,142154,O[SiH3],"InChI=1S/H4OSi/c1-2/h1H,2H3",SCPYDCQAZCOKTP-UHFFFAOYSA-N
DB11344,15356-60-2,(+)-menthol,experimental,,,,1648123,,,,ZINC000000967511,CHEMBL2106989,,,76306,165675,CC(C)[C@H]1CC[C@H](C)C[C@@H]1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1",NOOLISFMXDJSKH-AEJSXWLSSA-N
DB11345,464-48-2,(S)-camphor,experimental,"['17268056', '16192383', '23625413', '23828908']",,,1648124,,,,ZINC000000967521,CHEMBL2252949,,,15397,444294,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1",DSSYKIVIOFKYAU-OIBJUYFYSA-N
DB11346,7440-17-7,Rubidium,"['approved', 'investigational']",,,,1311489,,,,,CHEMBL1201326,,RUBIDIUM,33322,5357696,[Rb],InChI=1S/Rb,IGLNJRXAVVLDKE-UHFFFAOYSA-N
DB11347,68038-70-0,Bacillus subtilis,experimental,,,,1311119,,,,,,,,,,,,
DB11348,10103-46-5,Calcium Phosphate,approved,18782374,"['A12AA01', 'A11GB01']",,1919,,,,,CHEMBL2106566,,"CALCIUM PHOSPHATE, TRIBASIC",9679,516943,[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O,"InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",QORWJWZARLRLPR-UHFFFAOYSA-H
DB11349,59130-69-7,Cetyl ethylhexanoate,experimental,,,,1306178,,,,,,,,,42956,CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC,"InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3",XJNUECKWDBNFJV-UHFFFAOYSA-N
DB11350,61789-40-0,Cocamidopropyl betaine,experimental,18627690,,,1311576,,,,,,,,,,,,
DB11352,,Ascorbyl phosphate,approved,"['18492184', '23741676']",,,1370605,,,,,,,,,,,,
DB11355,,Propolis wax,approved,,,,1311659,,,,,,,,,,,,
DB11356,81859-24-7,Polyquaternium-10 (400 cps at 2%),approved,,,,1367143,,,,,,,,,,,,
DB11357,66071-03-2,Linseed oil,investigational,,,,6404,,,,,,,,,,,,
DB11358,308064-97-3,Evening primrose oil,"['nutraceutical', 'investigational']","['9707349', '20000302', '8814195']",,,1437503,,,,,,,,,,,,
DB11359,90-05-1,Guaiacol,approved,,,D00117,5031,,JZ3,1334,ZINC000013512224,CHEMBL13766,50240369,GUAIACOL,28591,460,COC1=C(O)C=CC=C1,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",LHGVFZTZFXWLCP-UHFFFAOYSA-N
DB11360,,Lactobacillus plantarum,investigational,28713788,,,1673942,,,,,,,,,,,,
DB11361,8001-88-5,Betula pendula tar oil,nutraceutical,15841263,,,1310070,,,,,,,,,,,,
DB11362,475086-01-2,Selexipag,approved,"['26567613', '25850750']",B01AC27,D09994,1729002,,,5077,ZINC000003990451,CHEMBL238804,50235383,ACT-293987,90844,9913767,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C1=CC=CC=C1,"InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)",QXWZQTURMXZVHJ-UHFFFAOYSA-N
DB11363,1256580-46-7,Alectinib,"['approved', 'investigational']","['26753004', '24887559', '21575866', '25428710']",L01XE36,D10542,1727455,PA166160050,EMH,4937,ZINC000066166864,CHEMBL1738797,50362781,CH5424802,90936,49806720,CCC1=CC2=C(C=C1N1CCC(CC1)N1CCOCC1)C(C)(C)C1=C(C3=CC=C(C=C3N1)C#N)C2=O,"InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3",KDGFLJKFZUIJMX-UHFFFAOYSA-N
DB11364,121808-62-6,Pidotimod,experimental,"['25999796', '19712757', '23663325', '12946237']",L03AX05,D07261,40450,,,2164,ZINC000003781245,CHEMBL1488165,,PIDOTIMOD,94618,65944,OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1,"InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1",UUTKICFRNVKFRG-WDSKDSINSA-N
DB11365,517-43-1,Sennosides,experimental,"['11523059', '24412547', '4929273', '3368517', '8234445', '23449608', '26185519', '3368514', '6117629', '27765358', '25330022']","['A06AB56', 'A06AB06']",,36387,,,,,CHEMBL54481,,,,5199,OCC1OC(OC2=C3C(=O)C4=C(C=C(C=C4O)C(O)=O)C(C4C5=CC=CC(OC6OC(CO)C(O)C(O)C6O)=C5C(=O)C5=C4C=C(C=C5O)C(O)=O)C3=CC=C2)C(O)C(O)C1O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)",IPQVTOJGNYVQEO-UHFFFAOYSA-N
DB11366,84088-42-6,Roquinimex,investigational,,L03AX02,,,,,3532,ZINC000100001952,CHEMBL11672,50248187,,92056,54676478,CN(C(=O)C1=C(O)C2=C(C=CC=C2)N(C)C1=O)C1=CC=CC=C1,"InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3",SGOOQMRIPALTEL-UHFFFAOYSA-N
DB11367,51762-05-1,Cefroxadine,withdrawn,"['6998373', '3319507']",J01DB11,D01528,,,,557,ZINC000003830462,CHEMBL3186538,,CEFROXADINE,31379,5284529,[H][C@]12SCC(OC)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O,"InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",RDMOROXKXONCAL-UEKVPHQBSA-N
DB11368,1892-43-9,Chlorophetanol,experimental,,D01AE06,,,,,4328,ZINC000001586425,CHEMBL3707367,,,135944,15907,OCCOC1=CC=C(Cl)C=C1,"InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2",GEGSSUSEWOHAFE-UHFFFAOYSA-N
DB11369,1093861-60-9,Afoxolaner,"['experimental', 'vet_approved']",24631502,,,1442093,,,,,CHEMBL2219412,,,,25154249,FC(F)(F)CNC(=O)CNC(=O)C1=C2C=CC=CC2=C(C=C1)C1=NOC(C1)(C1=CC(=CC(Cl)=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C26H17ClF9N3O3/c27-15-8-13(7-14(9-15)25(31,32)33)23(26(34,35)36)10-20(39-42-23)18-5-6-19(17-4-2-1-3-16(17)18)22(41)37-11-21(40)38-12-24(28,29)30/h1-9H,10-12H2,(H,37,41)(H,38,40)",OXDDDHGGRFRLEE-UHFFFAOYSA-N
DB11371,23930-19-0,Alfaxalone,vet_approved,"['23611452', '19202182', '23385007', '21831051', '6846760', '2600731', '25786416', '22642499', '18194193', '26306614']",N01AX05,D07282,1544577,,EY4,133,ZINC000004081122,CHEMBL190279,50164570,,34531,104845,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C(=O)C[C@]12C)C(C)=O,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1",DUHUCHOQIDJXAT-OLVMNOGESA-N
DB11372,850-52-2,Altrenogest,vet_approved,"['17217407', '3988636', '15302382', '2005028', '2722647', '2737975', '4044446', '17506814', '15912604', '6962854']",,D02840,1314612,,,,ZINC000004214784,CHEMBL1315492,,,191255,10041070,[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1",VWAUPFMBXBWEQY-ANULTFPQSA-N
DB11373,33089-61-1,Amitraz,"['experimental', 'vet_approved']","['22576295', '25053051', '15822764', '12029457', '8244851', '24288053', '10885999', '10465251', '24109378', '19809769', '11125712']",,D02380,17763,,,,ZINC000100025258,CHEMBL1365675,,"U-36,059",,,CN(\C=N\C1=C(C)C=C(C)C=C1)\C=N\C1=C(C)C=C(C)C=C1,"InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3/b20-12+,21-13+",QXAITBQSYVNQDR-ZIOPAAQOSA-N
DB11374,121-25-5,Amprolium,"['experimental', 'vet_approved']","['7817642', '6008627', '25523045', '23334897', '5889442', '6146883', '479090', '5678559', '5664119', '6067794', '2919391', '24431547', '6767828']",,D02928,1006654,,,,,CHEMBL97350,,,85265,73341,[Cl-].CCCC1=NC=C(C[N+]2=CC=CC=C2C)C(N)=N1,"InChI=1S/C14H19N4.ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1",LCTXBFGHZLGBNU-UHFFFAOYSA-M
DB11375,11051-71-1,Avilamycin,vet_approved,,,,1661561,,,,,,,,,71674,[H][C@]12COC(O[C@@H]3O[C@H](COC)[C@@H](O[C@@H]4O[C@H](C)[C@H](OC)[C@H](O[C@H]5C[C@@]6(C)OC7(C[C@@H](O)[C@H](O[C@H]8C[C@@H](O)[C@H](OC(=O)C9=C(C)C(Cl)=C(O)C(Cl)=C9OC)[C@@H](C)O8)[C@@H](C)O7)O[C@]6([H])[C@@H](C)O5)[C@H]4O)[C@H](O)[C@@H]3OC)[C@H](OC(=O)C(C)C)[C@]1([H])O[C@@]1(O2)O[C@H](C)[C@@](O)(C(C)=O)[C@]2([H])OCO[C@@]12[H],"InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56?,57+,58-,59?,60+,61-/m1/s1",XIRGHRXBGGPPKY-OTPQUNEMSA-N
DB11376,1649-18-9,Azaperone,"['vet_approved', 'investigational']","['17386737', '1217501', '925952', '19111512', '23140663', '3411917', '26056882', '20006891', '19395755', '3322780', '17186408', '24712163', '10982132', '24807358', '25655411', '17929705', '19395756', '18689666', '19579764', '24490337', '21210371', '25105814', '12398308', '935668', '5519354', '22287670', '4786114', '18817017', '17939346', '19239653', '420685']",,D02620,,,,,ZINC000002596977,CHEMBL340211,50036733,R-1929,88301,15443,FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1,"InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2",XTKDAFGWCDAMPY-UHFFFAOYSA-N
DB11377,11015-37-5,Bambermycins,vet_approved,"['2235832', '11441837', '6604910', '6965937', '2622825', '773914', '3875089', '342477', '6151815', '324962']",,,1367176,,,,,,,,,6433554,C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](OP(O)(=O)OC[C@@H](O)C(=O)OCC\C=C(/C)CC\C=C\C(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)O[C@H](C(O)=O)[C@@](C)(O)[C@@H]3OC(N)=O)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(=O)NC1=C(O)CCC1=O,"InChI=1S/C70H109N4O35P/c1-31(2)16-14-18-33(4)20-21-34(5)24-26-69(9,10)25-13-12-17-32(3)19-15-27-97-62(92)40(80)29-99-110(95,96)109-67-57(58(108-68(71)93)70(11,94)59(107-67)61(90)91)106-64-45(73-37(8)77)48(83)55(42(102-64)30-98-65-52(87)49(84)46(81)41(28-75)101-65)104-63-44(72-36(7)76)47(82)54(35(6)100-63)103-66-53(88)50(85)51(86)56(105-66)60(89)74-43-38(78)22-23-39(43)79/h13,16,19-20,25,35,40-42,44-59,63-67,75,78,80-88,94H,5,12,14-15,17-18,21-24,26-30H2,1-4,6-11H3,(H2,71,93)(H,72,76)(H,73,77)(H,74,89)(H,90,91)(H,95,96)/b25-13+,32-19+,33-20+/t35-,40-,41-,42-,44-,45-,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,56+,57-,58-,59-,63+,64+,65-,66-,67-,70+/m1/s1",FUIOWSNNCWZETH-NAMXWVJMSA-N
DB11378,5486-03-3,Buquinolate,"['experimental', 'vet_approved']","['5645319', '5816044', '6056153', '5079881', '6082025', '5485480', '6064475', '4773337', '5094394', '5752535']",,D03179,,,,,ZINC000003983799,CHEMBL584852,,,,21651,CCOC(=O)C1=CNC2=CC(OCC(C)C)=C(OCC(C)C)C=C2C1=O,"InChI=1S/C20H27NO5/c1-6-24-20(23)15-9-21-16-8-18(26-11-13(4)5)17(25-10-12(2)3)7-14(16)19(15)22/h7-9,12-13H,6,10-11H2,1-5H3,(H,21,22)",LVVXOXRUTDAKFE-UHFFFAOYSA-N
DB11379,126-22-7,Butonate,"['experimental', 'vet_approved']","['6826070', '494701', '5598567', '7074710', '4386048', '494702', '7247619', '4747043', '5167171', '7458561']",,D03194,,,,,,CHEMBL1570266,,,82106,31343,CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,"InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3",BKAQXYNWONVOAX-UHFFFAOYSA-N
DB11380,26097-80-3,Cambendazole,"['experimental', 'vet_approved']","['741610', '853544', '1043551', '506034', '870467', '275681', '7436929', '6104574', '5541208', '730947']",,D03340,1951,,,,ZINC000005424098,CHEMBL290578,,,,33309,CC(C)OC(=O)NC1=CC2=C(NC(=N2)C2=CSC=N2)C=C1,"InChI=1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)",QZWHWHNCPFEXLL-UHFFFAOYSA-N
DB11382,121-59-5,Carbarsone,vet_approved,"['13792418', '14838505', '13439356', '21009676', '21027191', '5130425', '21023232', '14807886', '21023231', '13286130']",,,20206,,,3065,,CHEMBL1331366,,,94806,8480,NC(=O)NC1=CC=C(C=C1)[As](O)(O)=O,"InChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)",WWXBHTZSYYGCSG-UHFFFAOYSA-N
DB11383,4564-87-8,Carbomycin,vet_approved,"['13218113', '13174405', '7006261', '13242215', '13099509', '13099516', '13631406', '13399359', '13033598', '14355928']",,,,,CAI,,,CHEMBL1231649,,,,5287879,[H][C@@]1(C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O1)O[C@@H]1[C@@H](C)O[C@@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@@H]3O[C@H]3C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C,"InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",FQVHOULQCKDUCY-OGHXVOSASA-N
DB11385,5575-21-3,Cefalonium,"['experimental', 'vet_approved']","['6166065', '15971831', '15887388', '329542', '26377164', '7216885', '734880', '20338434', '21660845', '20200575']",,D07634,,,,,,CHEMBL2105567,,,95345,21743,[H][C@]12SCC(C[N+]3=CC=C(C=C3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C([O-])=O,"InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1",FMZXNVLFJHCSAF-DNVCBOLYSA-N
DB11386,57-15-8,Chlorobutanol,"['vet_approved', 'approved', 'investigational']","['2096493', '19284328', '1083146', '7159691', '11783457']","['A04AD54', 'A04AD04']",D01942,2378,,,3092,ZINC000001482005,CHEMBL1439973,50417941,CHLOROBUTANOL,134813,5977,CC(C)(O)C(Cl)(Cl)Cl,"InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",OSASVXMJTNOKOY-UHFFFAOYSA-N
DB11387,67-66-3,Chloroform,"['vet_approved', 'approved']","['13279457', '10379014', '8625290', '8476536', '20051454', '15161186', '15583552', '20746316', '20255057', '397171', '16707255', '20746979', '10804954', '4356518', '21850127', '15320320', '4086448', '5320086', '23093177', '2125754', '21089827']",N01AB02,,1362698,,MCH,4363,ZINC000008214524,CHEMBL44618,,CHLOROFORM,35255,6212,ClC(Cl)Cl,InChI=1S/CHCl3/c2-1(3)4/h1H,HEDRZPFGACZZDS-UHFFFAOYSA-N
DB11389,60200-06-8,Clorsulon,vet_approved,"['4026039', '2021237', '11430684', '3421522', '23455934', '10576286', '3366676', '4049724', '3505938', '1433492']",,D03565,28303,,,,ZINC000002001200,CHEMBL1474129,,,94811,43231,NC1=C(C=C(C(=C1)C(Cl)=C(Cl)Cl)S(N)(=O)=O)S(N)(=O)=O,"InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)",QOVTVIYTBRHADL-UHFFFAOYSA-N
DB11390,56-72-4,Coumaphos,vet_approved,"['11990357', '5950512', '14215377', '5749116', '12806395', '10808995', '8523496', '46730', '16538949', '5680751']",,D07750,,,,,ZINC000000608284,CHEMBL251680,50366033,,3903,2871,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2,"InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3",BXNANOICGRISHX-UHFFFAOYSA-N
DB11392,115-93-5,Cythioate,vet_approved,"['1524312', '89824', '12591200', '3168660', '1189030', '5488792', '992748', '5185598', '7039075', '5393090']",,D07768,,,,,ZINC000001569224,CHEMBL2104588,,,,8293,COP(=S)(OC)OC1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)",BSBSDQUZDZXGFN-UHFFFAOYSA-N
DB11393,112398-08-0,Danofloxacin,"['experimental', 'vet_approved']","['17004040', '11469508', '19904641', '9451835', '22645474', '11721591', '8726041', '15499816', '9533113']",,D07774,1358488,,,,ZINC000000607798,CHEMBL157548,,,183837,25273623,[H][C@]12CN(C3=C(F)C=C4C(=O)C(=CN(C5CC5)C4=C3)C(O)=O)[C@]([H])(CN1C)C2,"InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1",QMLVECGLEOSESV-RYUDHWBXSA-N
DB11394,18507-89-6,Decoquinate,"['experimental', 'vet_approved']","['7181123', '5582058', '9066049', '19614848', '5777008', '962204', '3954215', '1137187', '2755893', '3750815']",,D03667,1314345,,,,ZINC000038139853,CHEMBL416230,,,,29112,CCCCCCCCCCOC1=C(OCC)C=C2NC=C(C(=O)OCC)C(=O)C2=C1,"InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)",JHAYEQICABJSTP-UHFFFAOYSA-N
DB11395,169590-41-4,Deracoxib,vet_approved,"['17186840', '21219338', '20610698', '15651739', '23997259', '16409407', '21155163', '16611933', '23251109']",,D03689,356834,,,,ZINC000000607803,CHEMBL28636,50057583,,73032,3058754,COC1=C(F)C=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)F,"InChI=1S/C17H14F3N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)",WAZQAZKAZLXFMK-UHFFFAOYSA-N
DB11396,97-23-4,Dichlorophen,"['experimental', 'vet_approved']","['4666838', '13860886', '13022360', '6003355', '15162836', '5474114', '18714544', '5785713', '4223212', '5734355']",P02DX02,,3351,,JAL,863,ZINC000000056435,CHEMBL33845,50303912,,34689,3037,OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O,"InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2",MDNWOSOZYLHTCG-UHFFFAOYSA-N
DB11397,62-73-7,Dichlorvos,vet_approved,"['5412228', '24231740', '6730571', '9693077', '14075867', '3725847', '24021659', '397180', '1842580', '24374570', '7344402', '4564322', '12186780', '21405039', '7009035']",,D03791,,,,,ZINC000001853865,CHEMBL167911,50286926,,34690,3039,COP(=O)(OC)OC=C(Cl)Cl,"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",OEBRKCOSUFCWJD-UHFFFAOYSA-N
DB11398,101831-37-2,Diclazuril,"['vet_approved', 'investigational']","['1500465', '1953582', '2339490', '2775091', '1750179', '7776135', '2567420', '7707217', '1996599', '2773198']",,D03794,1368201,,,,,CHEMBL284733,50088493,DICLAZURIL,95118,456389,ClC1=CC=C(C=C1)C(C#N)C1=C(Cl)C=C(C=C1Cl)N1N=CC(=O)NC1=O,"InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)",ZSZFUDFOPOMEET-UHFFFAOYSA-N
DB11399,481658-94-0,Dirlotapide,"['vet_approved', 'investigational']","['22094027', '17567512', '17567511', '17567517', '17567513', '17567514', '17567510', '17567516', '17567515', '21684740']",,D03867,1592684,,,,ZINC000003988502,CHEMBL410414,50204367,CP-742033,,9917862,CN(CC1=CC=CC=C1)C(=O)[C@@H](NC(=O)C1=CC2=C(C=CC(NC(=O)C3=CC=CC=C3C3=CC=C(C=C3)C(F)(F)F)=C2)N1C)C1=CC=CC=C1,"InChI=1S/C40H33F3N4O3/c1-46(25-26-11-5-3-6-12-26)39(50)36(28-13-7-4-8-14-28)45-38(49)35-24-29-23-31(21-22-34(29)47(35)2)44-37(48)33-16-10-9-15-32(33)27-17-19-30(20-18-27)40(41,42)43/h3-24,36H,25H2,1-2H3,(H,44,48)(H,45,49)/t36-/m0/s1",TUOSYWCFRFNJBS-BHVANESWSA-N
DB11400,117704-25-3,Doramectin,vet_approved,"['8236738', '19614846', '10502489', '14690080', '9403974', '8236732', '9195716', '8988561', '24686818', '10747243']",,,73455,,,,ZINC000245253793,CHEMBL2361641,,,,9832750,[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@@H]4C[C@@H](C[C@]5(O4)O[C@H](C4CCCCC4)[C@@H](C)C=C5)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O,"InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1",QLFZZSKTJWDQOS-YDBLARSUSA-N
DB11401,,Efrotomycin,vet_approved,"['994327', '528364', '1367801', '1367328', '4093333', '3752528', '950325', '6314312', '2737954', '1367205']",,,,,,,,,,,,,[H]\C(C)=C(\[H])/C(/[H])=C(\[H])C1OC(O)(C(CC)C(O)=NC\C([H])=C(/[H])\C(\[H])=C(/C)C(OC)C(C)C2OC(\C([H])=C(/[H])\C(\[H])=C(/[H])C([H])=C(C)C(\O)=C3\C(=O)C=CN(C)C3=O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(OC)C2O)C1(C)C,"InChI=1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,63-68,71H,16,29H2,1-14H3,(H,60,69)/b17-15+,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+,41-40+",ZLECMEJICSWJLT-LIWMBINXSA-N
DB11403,155030-63-0,Emodepside,"['vet_approved', 'investigational']","['21415309', '22727682', '21910990', '23756961', '24793743', '12613766', '21739370', '22539031', '15796017', '16228266', '16228277', '18602468', '16228263', '13678839']",,,354606,,,,,CHEMBL2104404,,BAY 44-4400,78739,6918632,[H][C@]1(C)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(CC2=CC=C(C=C2)N2CCOCC2)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(C)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(CC2=CC=C(C=C2)N2CCOCC2)OC(=O)[C@]([H])(CC(C)C)N(C)C1=O,"InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1",ZMQMTKVVAMWKNY-YSXLEBCMSA-N
DB11404,93106-60-6,Enrofloxacin,vet_approved,"['9511011', '8828132', '15129996', '9278889', '17107697', '7494042', '16624360', '24380725', '16964946', '12049983', '8393228', '24826167', '15967281', '19376344', '2691696', '1926748']",,D02473,24192,,,,ZINC000000597112,CHEMBL15511,50240078,ENROFLOXACIN,35720,71188,CCN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,"InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)",SPFYMRJSYKOXGV-UHFFFAOYSA-N
DB11405,123997-26-2,Eprinomectin,vet_approved,"['9442244', '20927587', '16240128', '12489011', '9361888', '21055791', '9185967', '9929515', '11097305', '15725539']",,D04037,1006619,,,,ZINC000306122586,,,,,6450531,[H]O[C@@H]1C(C)=C[C@@]2([H])C(=O)O[C@@]3([H])C[C@@]([H])(C\C=C(C)/[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@@H](OC)[C@H](N([H])C(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C/C=C4/CO[C@@]1([H])[C@]24O[H])O[C@@]1(C3)O[C@H](C(C)C)[C@@H](C)C=C1,"InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1",WPNHOHPRXXCPRA-TVXIRPTOSA-N
DB11408,52-85-7,Famphur,vet_approved,"['4032636', '588171', '5465142', '7284948', '1254545', '2716098', '7292913', '869822', '7447135', '4483149']",,,,,,,ZINC000002041376,CHEMBL1525287,,,38677,5859,COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C,"InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3",JISACBWYRJHSMG-UHFFFAOYSA-N
DB11409,58306-30-2,Febantel,"['experimental', 'vet_approved']","['7165174', '4030460', '256352', '6703448', '295106', '2353426', '8866457', '2977070', '2802334', '582930']",,D04135,24805,,,,ZINC000004215999,CHEMBL1080983,50103610,,189104,135449328,COCC(=O)NC1=C(C=CC(SC2=CC=CC=C2)=C1)N=C(NC(=O)OC)NC(=O)OC,"InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)",HMCCXLBXIJMERM-UHFFFAOYSA-N
DB11410,43210-67-9,Fenbendazole,vet_approved,"['6870016', '7271033', '2287030', '3605812', '7010692', '12708591', '1200964', '23488766', '738790', '7277372', '22048645', '23959307', '7290065', '24183965', '1182016']",P02CA06,D04140,4325,,,4536,ZINC000000402911,CHEMBL37161,31047,PANACUR,77092,3334,COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=CC=C1)=C2,"InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",HDDSHPAODJUKPD-UHFFFAOYSA-N
DB11411,69381-94-8,Fenprostalene,vet_approved,"['12499683', '6502492', '3381422', '6591624', '2316915', '3479578', '17422330', '3765302', '16726532', '6620155']",,D04160,,,,,,,,,,72734332,COC(=O)CCC=C=CC[C@@H]1[C@H](O)C[C@H](O)[C@H]1\C=C\[C@H](O)COC1=CC=CC=C1,"InChI=1S/C23H30O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-22,24-26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,21+,22-/m0/s1",BYNHBQROLKAEDQ-CNDPCGPLSA-N
DB11412,55-38-9,Fenthion,vet_approved,"['9037656', '5086826', '7253093', '18558709', '2706349', '3183857', '3411415', '5074266', '14056272', '10509433', '11048676', '14056274']",,D07950,,,,,ZINC000000001443,CHEMBL1604375,,,34761,3346,COP(=S)(OC)OC1=CC=C(SC)C(C)=C1,"InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3",PNVJTZOFSHSLTO-UHFFFAOYSA-N
DB11413,73231-34-2,Florfenicol,"['experimental', 'vet_approved']","['25891823', '11475424', '15814600', '25723132', '25744433', '25567063', '12607736', '25827198', '25675893', '25612770', '3806782', '23482237', '25913426', '26025252', '25771961', '25973625', '25395188', '25287575', '16670108', '25886128', '25706107', '25572306', '15175268', '26049592', '25623169', '25886555', '15102069', '25830490', '25618189', '17570454', '18307512', '25686865', '25614968']",,D04194,25086,,,,ZINC000000537733,CHEMBL1241590,,,87185,114811,CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl,"InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1",AYIRNRDRBQJXIF-NXEZZACHSA-N
DB11414,864731-61-3,Fluralaner,"['experimental', 'vet_approved']","['24365472', '25315498']",,,1538098,,,,,CHEMBL2364610,,,,25144319,CC1=CC(=CC=C1C(=O)NCC(=O)NCC(F)(F)F)C1=NOC(C1)(C1=CC(Cl)=CC(Cl)=C1)C(F)(F)F,"InChI=1S/C22H17Cl2F6N3O3/c1-11-4-12(2-3-16(11)19(35)31-9-18(34)32-10-21(25,26)27)17-8-20(36-33-17,22(28,29)30)13-5-14(23)7-15(24)6-13/h2-7H,8-10H2,1H3,(H,31,35)(H,32,34)",MLBZKOGAMRTSKP-UHFFFAOYSA-N
DB11416,145435-72-9,Gamithromycin,vet_approved,"['21493573', '21355734', '23687147', '20557439', '21443748', '21949059', '23810743', '26547885', '21078926']",,,1113697,,,,ZINC000169292837,CHEMBL2107342,,,195437,59364992,[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)N(CCC)C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C,"InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1",VWAMTBXLZPEDQO-UZSBJOJWSA-N
DB11417,57680-55-4,Gleptoferron,vet_approved,"['6841298', '3818467', '2267713', '11885329']",,,1855078,,,,,,,,,,[Fe+].OO.[H]C(O)(CO[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C([H])(O)C([H])(O)C([H])(O)C([H])(O)C([O-])=O,"InChI=1S/C13H24O13.Fe.H2O2/c14-1-4-6(17)8(19)11(22)13(26-4)25-2-3(15)5(16)7(18)9(20)10(21)12(23)24;;1-2/h3-11,13-22H,1-2H2,(H,23,24);;1-2H/q;+1;/p-1/t3?,4-,5?,6-,7?,8+,9?,10?,11-,13+;;/m1../s1",QPUPHFVWBIOERP-MXIFXDQUSA-M
DB11419,321-55-1,Haloxon,vet_approved,"['6067853', '4517371', '7467105', '7297547', '7283234', '5022406', '5389428', '14316778', '272801', '5222053']",,,,,,,ZINC000002040826,CHEMBL1897362,,,,9454,CC1=C(Cl)C(=O)OC2=C1C=CC(OP(=O)(OCCCl)OCCCl)=C2,"InChI=1S/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3",KULDXINYXFTXMO-UHFFFAOYSA-N
DB11420,111-01-3,Squalane,"['experimental', 'vet_approved']","['427795', '1916603', '23659974', '21780767', '11010899', '7522973', '23807737', '21473641', '19309083', '21409254']",,D05915,1363644,,,,,CHEMBL1552157,,SQUALANE,,8089,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3",PRAKJMSDJKAYCZ-UHFFFAOYSA-N
DB11421,105827-78-9,Imidacloprid,vet_approved,"['22375595', '25840341', '12069054', '25837412', '16539142', '18069649', '11502148', '18973940', '22420257', '25666568', '22395200', '25755197', '24515672', '16406588', '18924117', '18190949', '22334978', '12146171', '12720336', '15246549', '11673842', '15212911', '22119037', '25799432', '25155403', '22022787', '25557105', '22083888', '22228315', '22290795', '18690690', '25826181', '15922528', '22200056', '19916392', '18534311', '20232186', '25467410', '14747770', '25618634', '11599725', '18977458', '15154510', '16453147', '22459587', '25492586', '16160767', '10564045', '18188485', '15969515', '14690387', '22370410', '22224401', '18975787', '22447470', '16845714', '25314907', '22375594', '19962320', '16156564', '25342464', '11699773', '18348816', '11872245', '25612154', '22461500', '25597673', '19371559', '22398690', '25607931', '16690142']",,,1251576,,IM4,,ZINC000004474604,CHEMBL406819,50212288,,39169,135527764,[O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N
DB11423,25999-31-9,Lasalocid,vet_approved,"['8507714', '14513890', '12136977', '3722021', '9576359', '4060551', '721723', '523380', '15357378', '512778']",,D04671,1364397,,LSD,,ZINC000004216707,CHEMBL145347,,,92181,5360807,[H][C@@](C)(CCC1=C(C(O)=O)C(O)=C(C)C=C1)[C@]([H])(O)[C@]([H])(C)C(=O)[C@]([H])(CC)[C@@]1([H])O[C@@](CC)(C[C@]1([H])C)[C@@]1([H])CC[C@](O)(CC)[C@]([H])(C)O1,"InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1",BBMULGJBVDDDNI-OWKLGTHSSA-N
DB11424,103055-07-8,Lufenuron,"['experimental', 'vet_approved']","['19746650', '11153158', '8650891', '9775600', '12369690', '10736668', '9136145', '20157929', '7944022', '10804842']",,D08150,83586,,,,,CHEMBL1364906,,,39384,71777,FC(C(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C(Cl)=C1,"InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)",PWPJGUXAGUPAHP-UHFFFAOYSA-N
DB11425,67110-79-6,Luprostiol,"['experimental', 'vet_approved']","['9773473', '18564313', '16726791', '16726595', '16726986', '2383227', '3119828', '2793625', '16726535', '16726647']",,D08151,2583725,,,,ZINC000033955191,,,,,6441712,O[C@H](COC1=CC(Cl)=CC=C1)CS[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O,"InChI=1S/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-/t15-,17-,18-,19+,21+/m1/s1",KFUDFIMHDRJVLV-OZCLATTGSA-N
DB11426,115550-35-1,Marbofloxacin,vet_approved,"['8992027', '12117108', '22590047', '16940071', '12118670', '23375665', '15500564', '16740085', '9652038']",,D08156,69256,,,,ZINC000000537947,CHEMBL478120,,,94723,60651,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3N(C)COC1=C23)C(O)=O,"InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)",BPFYOAJNDMUVBL-UHFFFAOYSA-N
DB11427,147116-67-4,Maropitant,vet_approved,"['21039869', '24786163', '17610400', '17906225', '26095960', '17578239', '17610407', '21439216', '24330310', '20037963']",,,715869,,,,ZINC000040664622,CHEMBL2111099,,,,204108,[H][C@]1(NCC2=CC(=CC=C2OC)C(C)(C)C)C2CCN(CC2)[C@@]1([H])C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H40N2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3/t30-,31-/m0/s1",OMPCVMLFFSQFIX-CONSDPRKSA-N
DB11428,86347-14-0,Medetomidine,"['experimental', 'vet_approved']","['2571260', '2316155', '9278121', '8966714', '8212947', '2571266', '9592953', '2571277', '1763477', '2309424']",,D08165,52016,PA449256,,1655,,CHEMBL77921,50036913,,48552,68602,CC(C1=CN=CN1)C1=CC=CC(C)=C1C,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)",CUHVIMMYOGQXCV-UHFFFAOYSA-N
DB11429,3704-09-4,Mibolerone,vet_approved,"['209430', '869826', '18770362', '851279', '4070927', '2417401', '3930306', '4077632', '565606', '3487680', '921032', '2410244', '25955', '2151880', '405963', '3265669', '3934110', '18515094', '6254486', '2422638']",,D05025,,,,,ZINC000004216936,CHEMBL425863,26258,,34849,251636,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H],"InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1",PTQMMNYJKCSPET-OMHQDGTGSA-N
DB11430,17090-79-8,Monensin,"['experimental', 'vet_approved']","['4712807', '21215424', '663928', '664200', '7233787', '7271636', '10855833', '6746441', '4791301', '2728291', '3530701']",,D08228,1368208,,,,ZINC000008143466,CHEMBL256105,,MONENSIN SODIUM,27617,441145,[H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(CC)CC[C@@]([H])(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C,"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1",GAOZTHIDHYLHMS-KEOBGNEYSA-N
DB11431,113507-06-5,Moxidectin,"['vet_approved', 'approved', 'investigational']","['24533275', '19778466', '21896908', '23133688']",P02CX03,D05084,1047072,,,5286,ZINC000169649308,CHEMBL2104415,,MOXIDECTIN,183811,9832912,[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(C\C(=N/OC)[C@H](C)[C@H](O5)C(\C)=C\C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O,"InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1",YZBLFMPOMVTDJY-LSGXYNIPSA-N
DB11432,55134-13-9,Narasin,"['experimental', 'vet_approved']","['4060134', '3202044', '1000056', '3222193', '3289887', '3222192', '3222191', '4019361', '8496896', '7839570']",,D05122,1314370,,,,ZINC000085540282,CHEMBL2104423,,,183815,65452,[H][C@@]1(CC[C@](O)(CC)[C@H](C)O1)[C@]1(C)CC[C@]2(O1)O[C@@]1(O[C@]([H])([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@]3([H])O[C@@]([H])([C@@H](CC)C(O)=O)[C@@H](C)C[C@@H]3C)[C@@H](C)C[C@H]1C)C=C[C@H]2O,"InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1",VHKXXVVRRDYCIK-CWCPJSEDSA-N
DB11433,13997-19-8,Nequinate,vet_approved,"['1153374', '4766564', '7088782', '5170699', '21720123', '1187515', '23731083']",,D05144,,,,,ZINC000100033029,CHEMBL2104807,,,166580,26383,CCCCC1=CC2=C(NC=C(C(=O)OC)C2=O)C=C1OCC1=CC=CC=C1,"InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)",NNOPDLNHPOLRRE-UHFFFAOYSA-N
DB11434,330-95-0,Nicarbazin,vet_approved,"['16830870', '6675763', '11048841', '1364442', '13843719', '13379476', '6675762', '6495575', '4019387', '2704695']",,,1311583,,,,,CHEMBL95855,,,81725,9507,CC1=CC(C)=NC(O)=N1.[O-][N+](=O)C1=CC=C(NC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)C=C1,"InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)",UKHWDRMMMYWSFL-UHFFFAOYSA-N
DB11436,13411-16-0,Nifurpirinol,"['experimental', 'vet_approved']","['3624182', '6431288', '7043255', '2715659', '7539314', '8142702', '7451326', '16289382', '4576103', '23617544']",,D02513,,,,3382,ZINC000004217117,CHEMBL2104627,,,135000,6436061,[H]\C(=C(\[H])C1=NC(CO)=CC=C1)C1=CC=C(O1)[N+]([O-])=O,"InChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2/b5-4+",JQKHJQJVKRFMCO-SNAWJCMRSA-N
DB11437,98-72-6,Nitarsone,vet_approved,"['12211302', '25007637', '25514660', '16550417', '16252499', '4674928', '24758114', '21388897', '20498878', '22010250']",,D05175,1311555,,,,,CHEMBL1721359,,,62629,66826,O[As](O)(=O)C1=CC=C(C=C1)N(=O)=O,"InChI=1S/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)",FUUFQLXAIUOWML-UHFFFAOYSA-N
DB11438,150824-47-8,Nitenpyram,"['experimental', 'vet_approved']","['19746650', '14596282', '24191496', '21381431', '12591200', '12480309', '21469732', '11140929', '19746663', '12137461']",,,341379,,,,ZINC000002381598,CHEMBL259728,50486236,,39170,3034287,[H]C(=C(NC)N(CC)CC1=CN=C(Cl)C=C1)N(=O)=O,"InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+",CFRPSFYHXJZSBI-DHZHZOJOSA-N
DB11440,25092-41-5,Norgestomet,vet_approved,"['582487', '9781477', '3553126', '16725597', '16727259', '878243', '8467644', '16728110', '583183', '9419980']",,D05210,,,,,ZINC000004217176,CHEMBL2104744,,,,9820838,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C23H32O4/c1-13-12-22(4)20(9-10-23(22,14(2)24)27-15(3)25)19-7-5-16-11-17(26)6-8-18(16)21(13)19/h11,13,18-21H,5-10,12H2,1-4H3/t13-,18-,19-,20-,21+,22-,23-/m0/s1",IWSXBCZCPVUWHT-VIFKTUCRSA-N
DB11442,3922-90-5,Oleandomycin,vet_approved,"['13814938', '13590012', '13602871', '4233668', '4867776', '14277190', '20325455', '13651045', '13810380', '13587186']","['J01RA08', 'J01FA05']",,7629,,,1983,ZINC000085432018,CHEMBL606258,234401,,16869,72493,CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O,"InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1",RZPAKFUAFGMUPI-QESOVKLGSA-N
DB11443,113617-63-3,Orbifloxacin,vet_approved,"['22433170', '16237956', '9118451', '21233597', '16669863', '20950349', '7641301', '11480524', '18958455']",,D08299,995897,,,,ZINC000003882891,CHEMBL295433,,,183823,60605,[H][C@]1(C)CN(C[C@@]([H])(C)N1)C1=C(F)C(F)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O,"InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+",QIPQASLPWJVQMH-DTORHVGOSA-N
DB11446,53716-50-0,Oxfendazole,"['vet_approved', 'investigational']","['3210268', '9151412', '16030961', '24713198', '7135784', '7271032', '518439', '6626071', '3369070', '7233774']",,D05291,32634,,,,,CHEMBL42442,50300124,RS-8858,35812,40854,COC(=O)NC1=NC2=CC(=CC=C2N1)S(=O)C1=CC=CC=C1,"InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",BEZZFPOZAYTVHN-UHFFFAOYSA-N
DB11447,92-84-2,Phenothiazine,"['experimental', 'vet_approved']","['14131729', '5359756', '5647013', '14346775', '2889672', '25382702', '14263549', '20285807', '17450', '13474074', '26661932', '17647710']",,D02601,,,,,ZINC000100009616,CHEMBL828,50012855,PHENOTHIAZINE,37931,7108,N1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H",WJFKNYWRSNBZNX-UHFFFAOYSA-N
DB11448,732-11-6,Phosmet,vet_approved,"['13129307', '3624384', '21588425', '21870875', '146931', '3095071', '7164333', '7458565', '3203213']",,D08372,,,,,ZINC000000001934,CHEMBL1481873,79427,,38786,12901,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3",LMNZTLDVJIUSHT-UHFFFAOYSA-N
DB11449,131-67-9,Phthalofyne,"['experimental', 'vet_approved']","['13508999', '13252554', '13480918']",,D05468,,,,,,CHEMBL2107106,,,,8573,CCC(C)(OC(=O)C1=CC=CC=C1C(O)=O)C#C,"InChI=1S/C14H14O4/c1-4-14(3,5-2)18-13(17)11-9-7-6-8-10(11)12(15)16/h1,6-9H,5H2,2-3H3,(H,15,16)",CZGIRAWWWHPJHM-UHFFFAOYSA-N
DB11450,74150-27-9,Pimobendan,vet_approved,"['2723124', '2371838', '1593749', '2678794', '24526935', '2798516', '2471899', '2478784', '23116650']",,D01133,1110783,,,2171,,CHEMBL24646,50282617,,32003,4823,COC1=CC=C(C=C1)C1=NC2=CC(=CC=C2N1)C1=NNC(=O)CC1C,"InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)",GLBJJMFZWDBELO-UHFFFAOYSA-N
DB11451,691397-13-4,Poloxalene,"['vet_approved', 'investigational']","['6068181', '22076772', '3866581', '6705892', '3899829', '22491150', '11426591', '5754402', '22845748', '5356687', '18717346', '4229936', '16455605', '22629119', '17077546', '6064143', '18219559', '18661925', '22609589', '3606714', '1158808', '5689910']",,D01941,1314414,,,,,,,,32026,24751,C1CO1.CC1CO1,"InChI=1S/C3H6O.C2H4O/c1-3-2-4-3;1-2-3-1/h3H,2H2,1H3;1-2H2",RVGRUAULSDPKGF-UHFFFAOYSA-N
DB11452,69004-04-2,Ponazuril,vet_approved,"['11199848', '19746666', '10946140', '22130334', '15926999', '14736221', '14963771', '15270113', '19746665', '19646093']",,,298983,,,,ZINC000033854754,CHEMBL2104856,,PONAZURIL,,3050408,CN1C(=O)NC(=O)N(C1=O)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C(C)=C1,"InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)",VBUNOIXRZNJNAD-UHFFFAOYSA-N
DB11453,195532-12-8,Pradofloxacin,vet_approved,"['25465666', '17306474', '20022937', '19119955', '17470228', '20810550', '23406008', '18619887', '22209121', '21726965']",,,1367269,,,,ZINC000003827732,CHEMBL1256815,,,,9802884,[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1C#N)C(O)=O,"InChI=1S/C21H21FN4O3/c22-16-6-13-18(26(12-3-4-12)9-15(20(13)27)21(28)29)14(7-23)19(16)25-8-11-2-1-5-24-17(11)10-25/h6,9,11-12,17,24H,1-5,8,10H2,(H,28,29)/t11-,17+/m0/s1",LZLXHGFNOWILIY-APPDUMDISA-N
DB11454,54120-61-5,Prostalene,vet_approved,"['121604', '16726434', '7341563', '16725656', '1049488', '289794', '17422207', '550139']",,D05642,,,,,ZINC000005513458,,,,,6436031,CCCCC[C@@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C=CCCC(=O)OC,"InChI=1S/C22H36O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h7-8,13,15,17-20,23-24,26H,4-5,9-12,14,16H2,1-3H3/b15-13+/t6?,17-,18-,19+,20-,22-/m1/s1",GNIYHUSSKSFYBD-MFZPGRHISA-N
DB11455,220991-32-2,Robenacoxib,"['experimental', 'vet_approved']","['22673598', '24004933', '19161452', '21480932', '21492194', '22227226', '23434263', '19161451', '23782347', '20444036', '22430026', '21281192', '20004922', '23638669', '20922466', '21281197', '20594071', '23726662', '23452411', '21767277', '23438125', '21736587', '23738129', '20840388', '19161454', '19161453', '23106460']",,,1250203,,,,ZINC000000007562,CHEMBL2107774,,,76269,6433107,CCC1=CC(CC(O)=O)=C(NC2=C(F)C(F)=CC(F)=C2F)C=C1,"InChI=1S/C16H13F4NO2/c1-2-8-3-4-12(9(5-8)6-13(22)23)21-16-14(19)10(17)7-11(18)15(16)20/h3-5,7,21H,2,6H2,1H3,(H,22,23)",ZEXGDYFACFXQPF-UHFFFAOYSA-N
DB11456,299-84-3,Ronnel,"['experimental', 'vet_approved']","['5911107', '4109611', '49372', '5056217', '5891564', '13817700', '6172413', '49371', '4116048', '5341988']",,D05753,,,,,ZINC000000002040,CHEMBL1871418,,ROVAN,82125,9298,COP(=S)(OC)OC1=CC(Cl)=C(Cl)C=C1Cl,"InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3",JHJOOSLFWRRSGU-UHFFFAOYSA-N
DB11457,83-79-4,Rotenone,vet_approved,"['13428625', '14892110', '17753901', '19681169', '6338335', '14976342', '12855867', '14333191', '17077549', '10549166', '19013527', '6008413', '21269927', '15790535', '13654088', '738345', '15043430']",,,1366666,,970,,ZINC000003860715,CHEMBL429023,50135527,,28201,6758,[H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C,"InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1",JUVIOZPCNVVQFO-HBGVWJBISA-N
DB11458,121-19-7,Roxarsone,vet_approved,"['20099042', '12731831', '4645728', '23498058', '26450128', '16719096', '12724787', '18414637', '1187515', '21388897', '12731832', '5170701', '12526912', '17423588']",,D05771,1314413,,,,,CHEMBL1321154,50239376,,35817,5104,OC1=C(C=C(C=C1)[As](O)(O)=O)N(=O)=O,"InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)",XMVJITFPVVRMHC-UHFFFAOYSA-N
DB11459,220119-17-5,Selamectin,vet_approved,"['10940537', '10940519', '10940518', '20525946', '15379435', '15083980', '12625538', '12521253', '20021097', '10940536']",,,1044269,,,,ZINC000169677006,CHEMBL1908325,,SELAMECTIN,177562,9578507,[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)C5CCCCC5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O,"InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1",AFJYYKSVHJGXSN-XHKIUTQPSA-N
DB11460,111-02-4,Squalene,vet_approved,"['11060781', '3894879', '13266257', '13379961', '17732574', '24362891', '23833782', '41173', '11351567', '14844354', '9988781', '16341241', '13034767']",,,10014,,SQL,,ZINC000006845904,CHEMBL458402,,,15440,638072,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,"InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+",YYGNTYWPHWGJRM-AAJYLUCBSA-N
DB11461,80-32-0,Sulfachlorpyridazine,vet_approved,"['6347605', '13706520', '14133198', '475478', '11212543', '14055993', '8345573', '3237218', '5188487', '4581884', '14047760']",,D05948,2476008,,,2498,ZINC000000049140,CHEMBL1443577,90673,,59057,6634,NC1=CC=C(C=C1)S(=O)(=O)NC1=NN=C(Cl)C=C1,"InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)",XOXHILFPRYWFOD-UHFFFAOYSA-N
DB11462,963-14-4,Sulfaethoxypyridazine,vet_approved,"['5831049', '8012200', '7275892', '5888505', '6059670', '15493686', '5189754', '4777299', '5963854']",,,,,,,ZINC000000002113,CHEMBL3186751,,,145407,13755,CCOC1=CC=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=N1,"InChI=1S/C12H14N4O3S/c1-2-19-12-8-7-11(14-15-12)16-20(17,18)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,16)",FFJIWWBSBCOKLS-UHFFFAOYSA-N
DB11463,122-16-7,Sulfanitran,vet_approved,"['596630', '2759987', '17580695', '18180270', '561053', '18579149', '12702717', '19782883']",,D05951,,,,,ZINC000003873374,CHEMBL493636,50248248,,114204,5334,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18)",GWBPFRGXNGPPMF-UHFFFAOYSA-N
DB11464,59-40-5,Sulfaquinoxaline,vet_approved,"['20726505', '21159362', '21840270', '13444564', '10722074', '23246932', '20417329', '5962189', '4824499', '21644254', '847331', '20673955', '20265822', '5430695', '21563672', '22277081', '13349011', '22455559', '22331763', '7174488', '451426', '21671426', '13533778', '21351294', '20217396', '23418152', '1106077', '23126529', '20810118', '22202200']",,D05952,1306111,,,,ZINC000000002106,CHEMBL1437847,,,94719,5338,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=C(C=CC=C2)N=C1,"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)",NHZLNPMOSADWGC-UHFFFAOYSA-N
DB11466,103475-41-8,Tepoxalin,vet_approved,"['23349526', '21569197', '21565533', '21062309', '17718810', '22091562', '8707445', '23802664', '22287649', '19624842', '22726277', '21962280', '19161461', '20000343', '16343292', '7652766', '19175721', '23718664', '22986275', '22240988', '20807147', '19566476', '21036634', '9703407', '21348304', '19552701', '7775455', '21497474']",,D06075,,,,,ZINC000000607214,CHEMBL316040,50001183,,76277,59757,COC1=CC=C(C=C1)N1N=C(CCC(=O)N(C)O)C=C1C1=CC=C(Cl)C=C1,"InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3",XYKWNRUXCOIMFZ-UHFFFAOYSA-N
DB11467,,Thiostrepton,vet_approved,"['9109400', '13486397', '908663', '440414', '23208736', '5416649', '22134246', '11266162', '5409975', '15199170']",,,1365970,,,,,CHEMBL410968,,,,16129666,[H]\C(C)=C1/N=C(O)C(N=C(O)C2=CSC(=N2)C23CCC(=NC2C2=CSC(=N2)C(N=C(O)C2=CSC(=N2)C(N=C(O)C2CSC1=N2)C(C)(O)C(C)O)C(C)OC(=O)C1=NC2=C(C=CC(NC(C(C)CC)C(O)=NC(C)C(O)=NC(=C)C(O)=NC(C)C(O)=N3)C2O)C(=C1)C(C)O)C1=NC(=CS1)C(O)=NC(=C)C(O)=NC(=C)C(O)=N)C(C)O,"InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15+",NSFFHOGKXHRQEW-DVRIZHICSA-N
DB11468,55297-95-5,Tiamulin,vet_approved,"['3952946', '6854730', '16253666', '3686511', '7340095', '7233787', '6505670', '7376381', '25592328', '19103625', '3170319', '21511410', '15013817', '19060324']",,D06127,1546410,,MUL,,ZINC000004217557,CHEMBL1234521,,,44137,656958,[H][C@@]12C(=O)CC[C@]11CC[C@@]([H])(C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSCCN(CC)CC,"InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1",UURAUHCOJAIIRQ-QGLSALSOSA-N
DB11470,328898-40-4,Tildipirosin,vet_approved,"['24503775', '22563863', '25125397', '26538405', '22500881', '25413993', '23076759', '22398653', '22188102', '22926570']",,,1306059,,,,ZINC000096941865,CHEMBL3039509,,,,24860548,[H][C@@]1(O[C@H]2[C@@H](CCN3CCCCC3)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CN3CCCCC3)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)N(C)C,"InChI=1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30-,31+,32-,34-,35-,37+,38-,39-,40-,41+/m1/s1",HNDXPZPJZGTJLJ-UEJFNEDBSA-N
DB11471,108050-54-0,Tilmicosin,"['vet_approved', 'investigational']","['15113165', '16924727', '8587151', '8617615', '12807303', '10481373', '1858280', '2038809', '7975134', '8116500']",,D02492,38278,,,,ZINC000245204941,CHEMBL1908333,,,195409,5282521,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,"InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1",JTSDBFGMPLKDCD-XVFHVFLVSA-N
DB11472,61570-90-9,Tioxidazole,vet_approved,"['2254820', '2319417', '25267663', '7197131', '7447131', '658283', '7283235']",,D06158,,,,,ZINC000001842639,CHEMBL1371412,,,188809,72157,CCCOC1=CC=C2N=C(NC(=O)OC)SC2=C1,"InChI=1S/C12H14N2O3S/c1-3-6-17-8-4-5-9-10(7-8)18-11(13-9)14-12(15)16-2/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)",HLLICFJUWSZHRJ-UHFFFAOYSA-N
DB11473,52-68-6,Metrifonate,vet_approved,"['8094783', '1855006', '256352', '8266053', '1768954', '6578181', '19775726', '24122545', '127517', '3950648', '19372080', '869797']",P02BB01,D00805,1000581,,,1787,,CHEMBL167150,50286920,,6908,5853,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,"InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3",NFACJZMKEDPNKN-UHFFFAOYSA-N
DB11474,217500-96-4,Tulathromycin A,vet_approved,"['22585224', '15305848', '21727065', '15156657', '20638089', '20860100', '19177332', '21671946', '16094568', '17472660']",,,1309314,,,,ZINC000094313254,,,,182495,9832301,[H][C@@]1(C[C@@](C)(OC)[C@](O)(CNCCC)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C,"InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1",GUARTUJKFNAVIK-QPTWMBCESA-N
DB11475,1401-69-0,Tylosin,vet_approved,"['5891431', '23985521', '4682324', '1790764', '7867337', '24201036', '18836909', '23398744', '7257138', '23397987', '23352520', '24063615', '812238', '6225619', '23928021', '5500229', '7292915', '24270892', '24393633', '7649866', '23013044', '6501102', '24113548']",,D02490,995505,,TYK,,ZINC000252441679,CHEMBL42743,,,17658,5280440,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,"InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1",WBPYTXDJUQJLPQ-VMXQISHHSA-N
DB11476,11006-76-1,Virginiamycin,vet_approved,"['39060', '3919378', '4902789', '418374', '4126225', '4561932', '6429658', '4568014', '20648503', '17575256']",D06AX10,,11232,,,,,CHEMBL3833352,,V-MAX,,127053480,CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)C2=COC(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C)=N2.[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=C(O)C=CC=N1)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)CCN1C(=O)[C@H](CC1=CC=CC=C1)N(C)C2=O)C1=CC=CC=C1,"InChI=1S/C43H49N7O10.C28H35N3O7/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b;7-5+,10-9+,18-13+/t25-,29-,30+,31+,32+,34+,35+;19-,20-,26-/m11/s1",MVTQIFVKRXBCHS-SMMNFGSLSA-N
DB11477,7361-61-7,Xylazine,vet_approved,"['7189750', '3963565', '6870002', '6916527', '16031851', '16031828', '7358565', '4055470', '24166', '17423135']",,D08683,1099660,,,,ZINC000000002248,CHEMBL297362,50225286,,92386,5707,CC1=CC=CC(C)=C1NC1=NCCCS1,"InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)",BPICBUSOMSTKRF-UHFFFAOYSA-N
DB11478,26538-44-3,Zeranol,"['experimental', 'vet_approved']","['16726026', '3701919', '1229710', '16030974', '3425550', '16031223', '8440661', '2931335', '6632074', '563371']",,D06362,1368476,,27J,2860,ZINC000003831615,CHEMBL450613,32073,,35064,2999413,C[C@H]1CCC[C@H](O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1",DWTTZBARDOXEAM-GXTWGEPZSA-N
DB11479,119520-05-7,Zilpaterol,vet_approved,"['19245211', '15080615', '19684279', '18849379', '21278106', '20935134', '20218607', '20382878', '16756341', '23345549']",,,1727538,,,,ZINC000003785294,CHEMBL462313,27955,,180945,3086576,CC(C)N[C@@H]1CCN2C(=O)NC3=CC=CC([C@H]1O)=C23,"InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1",ZSTCZWJCLIRCOJ-DGCLKSJQSA-N
DB11480,148-01-6,Zoalene,"['experimental', 'vet_approved']","['5032069', '6501147', '5888495', '4779916', '5888507', '3949706', '13974888', '8318867', '5755965', '5630084']",,D07857,1487907,,,,ZINC000002040950,CHEMBL472565,,,174162,3092,CC1=C(C=C(C=C1C(N)=O)[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)",ZEFNOZRLAWVAQF-UHFFFAOYSA-N
DB11481,104054-27-5,Atipamezole,"['vet_approved', 'investigational']",,,D03002,18475,,,,ZINC000005424171,CHEMBL353972,81807,ANTISEDAN,,71310,CCC1(CC2=CC=CC=C2C1)C1=CN=CN1,"InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)",HSWPZIDYAHLZDD-UHFFFAOYSA-N
DB11482,8007-00-9,Balsam of Peru,"['vet_approved', 'nutraceutical']",15932578,,,33219,,,,,,,,,,,,
DB11485,80370-57-6,Ceftiofur,vet_approved,,,D07657,1311521,,,,ZINC000004215267,CHEMBL222913,50103524,,,6328657,[H][C@]12SCC(CSC(=O)C3=CC=CO3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1",ZBHXIWJRIFEVQY-IHMPYVIRSA-N
DB11487,2265-64-7,Dexamethasone isonicotinate,vet_approved,,,,3265,,,,ZINC000004212878,CHEMBL3186453,,,177639,16752,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C3=CC=NC=C3)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",BQTXJHAJMDGOFI-NJLPOHDGSA-N
DB11490,62-67-9,Nalorphine,"['experimental', 'vet_approved']",,V03AB02,D08247,,,,1877,ZINC000003875420,CHEMBL415284,50367061,,7458,5284595,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC=C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1",UIQMVEYFGZJHCZ-SSTWWWIQSA-N
DB11491,98105-99-8,Sarafloxacin,"['withdrawn', 'vet_approved']","['9823579', '10416362']",,,,,,,ZINC000000538330,CHEMBL37858,,,94493,25273230,OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O,"InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)",XBHBWNFJWIASRO-UHFFFAOYSA-N
DB11493,7758-29-4,Sodium tripolyphosphate,vet_approved,,,,1487533,,,,,,,,,24455,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O,"InChI=1S/5Na.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5",HWGNBUXHKFFFIH-UHFFFAOYSA-I
DB11495,65733-16-6,(S)-methoprene,vet_approved,"['22520338', '15093416', '12825672', '24201932', '21777729', '16813290', '12322945', '21172340', '9249653']",,,,,,,ZINC000002005163,CHEMBL1875086,,KABAT,39255,1711973,[H]\C(C[C@@]([H])(C)CCCC(C)(C)OC)=C(\[H])/C(/C)=C(\[H])C(=O)OC(C)C,"InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+/t16-/m1/s1",NFGXHKASABOEEW-GYMWBFJFSA-N
DB11496,149-30-4,2-mercaptobenzothiazole,"['vet_approved', 'experimental', 'approved']","['20176439', '22244341', '23198901', '23297136', '21233563', '22903299', '19158128', '21168547', '23264933', '22486572', '7641595', '2635130', '23063874', '22841513', '20688492', '16395482', '23178179', '14193129', '20420816', '21616561', '6454535', '2673553', '6029098', '2065991', '18959430', '15941012', '2636932', '19553157', '20586507', '20441956', '20410568', '19381614', '21591631', '22782697', '23237235', '15466583', '21141391', '18844695', '4283450', '5342897', '18568896', '12888279', '23340394', '20692014', '7765737']",,,1358845,,,,ZINC000018098783,CHEMBL111654,50444459,,34292,697993,S=C1NC2=C(S1)C=CC=C2,"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",YXIWHUQXZSMYRE-UHFFFAOYSA-N
DB11497,3689-24-5,Sulfotep,"['experimental', 'vet_approved']",,,,,,,,ZINC000001693865,CHEMBL3182477,,,38945,19395,CCOP(=S)(OCC)OP(=S)(OCC)OCC,"InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3",XIUROWKZWPIAIB-UHFFFAOYSA-N
DB11499,1402-82-0,Amphomycin,vet_approved,,,,,,,,,,,,,91663250,[H]N([C@@H](CC(O)=O)C(=O)NCC(=O)N[C@H]([C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](C)[C@]1([H])NC(=O)[C@@]2([H])CCCCN2C1=O)C(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C\C=C\CCCCCC(C)CC)[C@@H](C)C(O)=O,"InChI=1S/C58H91N13O20/c1-8-30(4)18-13-11-9-10-12-14-21-39(72)63-36(26-44(79)80)51(83)68-46(31(5)58(90)91)54(86)65-35(25-43(77)78)50(82)60-27-40(73)64-34(24-42(75)76)49(81)61-28-41(74)66-47(32(6)59)55(87)67-45(29(2)3)56(88)71-23-17-20-38(71)52(84)62-33(7)48-57(89)70-22-16-15-19-37(70)53(85)69-48/h12,14,29-38,45-48H,8-11,13,15-28,59H2,1-7H3,(H,60,82)(H,61,81)(H,62,84)(H,63,72)(H,64,73)(H,65,86)(H,66,74)(H,67,87)(H,68,83)(H,69,85)(H,75,76)(H,77,78)(H,79,80)(H,90,91)/b14-12+/t30?,31-,32+,33+,34+,35+,36+,37-,38+,45+,46+,47-,48+/m1/s1",XBNDESPXQUOOBQ-LSMLZNGOSA-N
DB11501,3748-77-4,Bunamidine,vet_approved,"['988006', '571349', '5391180', '4520928', '6068943', '4519921', '6069229', '16030596', '566235', '4520927']",,,,,,,ZINC000004215129,CHEMBL1355596,,,,13986,CCCCCCOC1=C2C=CC=CC2=C(C=C1)C(=N)N(CCCC)CCCC,"InChI=1S/C25H38N2O/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3",FGGFIMIICGZCCJ-UHFFFAOYSA-N
DB11502,149-16-6,Butacaine,"['vet_approved', 'approved']","['14955790', '13221499', '6446090', '4273911', '4281307', '128352', '14908875', '136258', '36855', '6240271']",,,1829,,,3050,ZINC000001596184,CHEMBL129529,50225491,,94820,2480,CCCCN(CCCC)CCCOC(=O)C1=CC=C(N)C=C1,"InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3",HQFWVSGBVLEQGA-UHFFFAOYSA-N
DB11504,77-22-5,Caramiphen,"['experimental', 'vet_approved']","['25446426', '13948474', '25201353', '1920350', '13640966', '18320638', '7723585', '13110205', '5474893', '19962431']",,,20191,,,486,ZINC000001847743,CHEMBL61946,73402,,135204,6472,CCN(CC)CCOC(=O)C1(CCCC1)C1=CC=CC=C1,"InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3",OFAIGZWCDGNZGT-UHFFFAOYSA-N
DB11505,,Cefovecin,"['experimental', 'vet_approved']","['20444017', '17083454', '17355604', '18422501', '23331693', '17725587', '23702279', '17083455', '17559523', '18673028']",,,1591901,,,,ZINC000004654838,,,,,6336480,[H][C@]12SCC([C@@H]3CCCO3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C17H19N5O6S2/c1-27-21-10(8-6-30-17(18)19-8)13(23)20-11-14(24)22-12(16(25)26)7(5-29-15(11)22)9-3-2-4-28-9/h6,9,11,15H,2-5H2,1H3,(H2,18,19)(H,20,23)(H,25,26)/b21-10-/t9-,11+,15+/m0/s1",ZJGQFXVQDVCVOK-QFKLAVHZSA-N
DB11507,54276-21-0,Cloprostenol,vet_approved,"['504688', '452355', '433103', '276752', '574679', '1216432', '295100', '565969', '433124', '433123']",,,2606,,,,ZINC000004536236,CHEMBL37853,50085910,,177470,5311053,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)COC1=CC=CC(Cl)=C1,"InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1",VJGGHXVGBSZVMZ-QIZQQNKQSA-N
DB11509,13479-54-4,Cupric glycinate,vet_approved,"['22914969', '21092298', '8778102']",,,1428217,,,,,,,,,3032611,[Cu++].NCC([O-])=O.NCC([O-])=O,"InChI=1S/2C2H5NO2.Cu/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",VVYPIVJZLVJPGU-UHFFFAOYSA-L
DB11510,57773-65-6,Deslorelin,"['vet_approved', 'investigational']","['8354219', '15605592', '9357302', '21866516', '22222897', '10763456', '22063211', '22578617', '10518244', '23182475']",,,1311744,,,,,CHEMBL2365665,84726,DESLORELIN,177570,25077495,[H][C@]1(CCC(=O)N1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC,"InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1",GJKXGJCSJWBJEZ-XRSSZCMZSA-N
DB11511,98106-17-3,Difloxacin,vet_approved,"['19751946', '19181312', '3521473', '3800345', '15953209', '3606066', '12161971', '10850850', '20022355', '10826834']",,D07828,,,,,ZINC000004099034,CHEMBL6259,,,4537,40473223,CN1CCN(CC1)C1=C(F)C=C2C(=C1)N(C=C(C(O)=O)C2=O)C1=CC=C(F)C=C1,"InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)",NOCJXYPHIIZEHN-UHFFFAOYSA-N
DB11512,128-46-1,Dihydrostreptomycin,"['withdrawn', 'vet_approved', 'approved', 'investigational']","['14830485', '15434767', '13111505', '13313964', '13395829', '14400056', '13672753', '4194808', '21002218', '14879647']",S01AA15,D07840,1549540,,71R,890,ZINC000008216695,CHEMBL1950576,,,38291,439369,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)CO,"InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",ASXBYYWOLISCLQ-HZYVHMACSA-N
DB11513,101-08-6,Diperodon,vet_approved,"['7418402', '12367714', '22429549', '5861111', '8960289', '23116796', '15506704', '17288463']",,,59247,,,,,CHEMBL338667,50225489,,93842,10831,[H]N(C(=O)OCC(CN1CCCCC1)OC(=O)N([H])C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)",YUGZHQHSNYIFLG-UHFFFAOYSA-N
DB11516,7187-55-5,Dithiazanine,vet_approved,"['13842392', '13687605', '14115559', '13508630', '13896721', '14425025', '13661712', '13762176', '13896719', '13896720']",,,,,,930,ZINC000001628132,CHEMBL1185568,47714,,52787,5473758,[H]C(C([H])=C([H])C1=[N+](CC)C2=CC=CC=C2S1)=C([H])C([H])=C1SC2=C(C=CC=C2)N1CC,"InChI=1S/C23H23N2S2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1",FYXWDSGGZAMYFZ-UHFFFAOYSA-N
DB11517,,Etymemazine,"['experimental', 'vet_approved']",,,,,,,,,CHEMBL2008544,,,135393,71823,CCC1=CC2=C(SC3=CC=CC=C3N2CC(C)CN(C)C)C=C1,"InChI=1S/C20H26N2S/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-21(3)4)17-8-6-7-9-19(17)23-20/h6-12,15H,5,13-14H2,1-4H3",USKHCLAXJXCWMO-UHFFFAOYSA-N
DB11518,38677-85-9,Flunixin,vet_approved,"['3354970', '1466125', '6474767', '3493724', '6416706', '850126', '1300683', '1308097', '4035085', '3970431']",,D04215,25121,,,,ZINC000000001467,CHEMBL1617398,50201618,,76138,38081,CC1=C(C=CC=C1NC1=C(C=CC=N1)C(O)=O)C(F)(F)F,"InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)",NOOCSNJCXJYGPE-UHFFFAOYSA-N
DB11519,40666-16-8,Fluprostenol,vet_approved,"['289831', '6090118', '550147', '11929662', '11832489', '6911921', '951924', '6304223', '16505027', '7445532', '941381', '8964835', '6916556']",,,,,,,ZINC000004474587,CHEMBL1201379,50206025,,60782,5311100,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)COC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1",WWSWYXNVCBLWNZ-QIZQQNKQSA-N
DB11520,31282-04-9,Hygromycin B,vet_approved,"['9671217', '4592490', '15461291', '24130756', '14405258', '5298042', '2759709', '12820169', '2818375', '5493473']",,,1426887,,,,,,,,,56928061,[H][C@@]12OC3(O[C@]1([H])[C@H](O[C@]1([H])[C@@H](O)[C@H](N)C[C@H](NC)[C@H]1O)O[C@H](CO)[C@@H]2O)O[C@]([H])([C@@H](N)CO)[C@H](O)[C@H](O)[C@H]3O,"InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20?/m1/s1",GRRNUXAQVGOGFE-HUCHGKBZSA-N
DB11521,27885-92-3,Imidocarb,vet_approved,"['7600919', '7884627', '5074698', '919321', '19243130', '7268745', '4413774', '8966987', '7414062', '4082455']",,D08069,1740237,,,,ZINC000000073661,CHEMBL427342,79241,,51804,21389,O=C(NC1=CC=CC(=C1)C1=NCCN1)NC1=CC=CC(=C1)C1=NCCN1,"InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)",SCEVFJUWLLRELN-UHFFFAOYSA-N
DB11522,338-95-4,Isoflupredone,vet_approved,"['12703615', '6520764', '8633806', '1666317', '9836402', '22126689', '12880012', '17699036', '8048222', '16817750']",,,1546449,,,,ZINC000003876095,,,,34511,127516,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@]([H])(O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1",WAIJIHDWAKJCBX-BULBTXNYSA-N
DB11525,84878-61-5,Maduramicin,vet_approved,"['17423864', '16299200', '3558121', '10431386', '7804225', '3793623', '3700246', '9226847', '18671068', '9059580']",,D04830,,,,,,CHEMBL2105807,,,189929,6917874,N.[H][C@@](C)([C@@]1([H])O[C@@]2(CC[C@](C)(O2)[C@@]2([H])CC[C@](C)(O2)[C@]2([H])O[C@]([H])(C[C@]2([H])O[C@]2([H])C[C@]([H])(OC)[C@@]([H])(OC)[C@]([H])(C)O2)[C@@]2([H])O[C@](C)(O)[C@]([H])(C)C[C@]2([H])C)C[C@]([H])(O)[C@@]1([H])C)[C@]1([H])O[C@](O)(CC(O)=O)[C@@]([H])(C)[C@]([H])(OC)[C@@]1([H])OC,"InChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1",WQGJEAMPBSZCIF-HKSLRPGUSA-N
DB11526,790299-79-5,Masitinib,"['vet_approved', 'investigational']","['19664170', '21257519', '20391634', '20211560', '19549290', '21668810', '21504563', '18823406', '21034327', '20033487', '19533403', '26364581', '21333567', '21314730', '21953477', '19789626']",L01XE22,D10229,,,G65,,ZINC000034177219,CHEMBL1908391,50355495,MASITINIB,63450,10074640,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC(=CS3)C3=CN=CC=C3)=C2)CC1,"InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)",WJEOLQLKVOPQFV-UHFFFAOYSA-N
DB11528,128470-15-5,Melarsomine,"['experimental', 'vet_approved']","['11900931', '8323063', '16605068', '14627097', '12462491', '16800128', '24051262', '21767438', '1510336', '15828588']",,D08168,1012534,,,,,CHEMBL1650564,50421414,,,65962,NCCS[As](SCCN)C1=CC=C(NC2=NC(N)=NC(N)=N2)C=C1,"InChI=1S/C13H21AsN8S2/c15-5-7-23-14(24-8-6-16)9-1-3-10(4-2-9)19-13-21-11(17)20-12(18)22-13/h1-4H,5-8,15-16H2,(H5,17,18,19,20,21,22)",MGEOLZFMLHYCFZ-UHFFFAOYSA-N
DB11529,5633-18-1,Melengestrol,vet_approved,"['4781045', '14192473', '1270378', '327640', '949121', '6049897', '4495779', '5169599', '1100303', '5465999']",,,1537799,,,,ZINC000038610965,,,,,9906614,[H][C@@]12CC(=C)[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,"InChI=1S/C23H30O3/c1-13-10-17-18(21(4)8-6-16(25)12-19(13)21)7-9-22(5)20(17)11-14(2)23(22,26)15(3)24/h10,12,17-18,20,26H,2,6-9,11H2,1,3-5H3/t17-,18+,20+,21-,22+,23+/m1/s1",OKHAOBQKCCIRLO-IBVJIVQJSA-N
DB11530,1178-28-5,Metoserpate,vet_approved,"['606230', '5817455']",,,,,,,ZINC000004213849,CHEMBL2110987,,,,66252,[H][C@]12C[C@H](OC)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,"InChI=1S/C24H32N2O5/c1-28-14-5-6-15-16-7-8-26-12-13-9-20(29-2)23(30-3)21(24(27)31-4)17(13)11-19(26)22(16)25-18(15)10-14/h5-6,10,13,17,19-21,23,25H,7-9,11-12H2,1-4H3/t13-,17+,19-,20+,21+,23+/m1/s1",FPGCYQVKNKEGRQ-SXLQGMKLSA-N
DB11531,129496-10-2,Milbemycin oxime,vet_approved,,,,68730,,,,,,,,,20056431,[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C)O5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O.[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@H](C[C@]5(CC[C@H](C)[C@@H](CC)O5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O,"InChI=1S/C32H45NO7.C31H43NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35;1-18-7-6-8-23-17-36-28-27(32-35)21(4)14-26(31(23,28)34)29(33)37-25-15-24(10-9-19(2)13-18)39-30(16-25)12-11-20(3)22(5)38-30/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3;6-9,14,18,20,22,24-26,28,34-35H,10-13,15-17H2,1-5H3/b8-7+,20-10+,23-9+,33-28-;7-6+,19-9+,23-8+,32-27-/t19-,21-,24+,25-,26-,27+,29+,31+,32+;18-,20-,22+,24+,25-,26-,28+,30-,31+/m00/s1",CKVMAPHTVCTEMM-ALPQRHTBSA-N
DB11534,109-69-3,Butyl chloride,vet_approved,"['18573534', '14006079', '16833809', '20594834', '3787885', '15730326', '22721878', '1745433', '4853734', '5866250']",,,19900,,,,ZINC000001586730,CHEMBL47259,,,,8005,CCCCCl,"InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3",VFWCMGCRMGJXDK-UHFFFAOYSA-N
DB11537,79548-73-5,Pirlimycin,vet_approved,"['15453485', '8517701', '3654872', '10435279', '6480775', '15653527', '10211716', '6606809', '9325575', '6927639']",,D08391,1367292,,,,ZINC000005651187,CHEMBL1652611,,,,157385,[H][C@@](NC(=O)[C@@H]1C[C@H](CC)CCN1)([C@H](C)Cl)[C@@]1([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1",HBJOXQRURQPDEX-MHXMMLMNSA-N
DB11538,,Polysulfated glycosaminoglycan,vet_approved,,,,1085955,,,,,,,,,,,,
DB11540,3568-24-9,Propiopromazine,"['experimental', 'vet_approved']","['9072727', '5950045', '15489', '16980885', '1364508', '7349344', '6138880', '2897377']",,,,,,,ZINC000000057465,CHEMBL41169,50408509,,,24352,CCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN(C)C)C2=C1,"InChI=1S/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3",ZQTVCQIJTREKSP-UHFFFAOYSA-N
DB11541,,Ractopamine,vet_approved,"['1979784', '12597381', '25863617', '21595199', '7571724', '1979785', '2480945', '23825348', '12019611', '22063860']",,,1311677,,,,,CHEMBL509336,27959,,82647,56052,CC(CCC1=CC=C(O)C=C1)NCC(O)C1=CC=C(O)C=C1,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3",YJQZYXCXBBCEAQ-UHFFFAOYSA-N
DB11542,25875-51-8,Robenidine,"['experimental', 'vet_approved']","['7359888', '3445427', '4841688', '722457', '1150616', '1118187', '19073106', '2974008', '534928', '2773198']",,D08486,1311554,,,,ZINC000002013227,CHEMBL97137,,,,21419483,ClC1=CC=C(\C=N\NC(=N)N\N=C\C2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+",MOOFYEJFXBSZGE-LQGKIZFRSA-N
DB11543,65896-16-4,Romifidine,vet_approved,"['12027592', '12184699', '11513266', '15268694', '8642795', '19538572', '16207314', '8178417', '9444638', '11327453']",,D08487,1091919,,,,ZINC000056898821,CHEMBL2105424,,,,71969,FC1=CC=CC(Br)=C1NC1=NCCN1,"InChI=1S/C9H9BrFN3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)",KDPNLRQZHDJRFU-UHFFFAOYSA-N
DB11544,53003-10-4,Salinomycin,vet_approved,"['2281597', '6665966', '17571983', '17423737', '3672848', '2275094', '3570991', '11530905', '6719809', '3797377']",,D08502,1311566,,,,ZINC000085540254,CHEMBL1208572,430647,,80025,3085092,[H][C@@](C)(C(=O)[C@]([H])(CC)[C@@]1([H])O[C@@]2(O[C@@]3(CC[C@](C)(O3)[C@@]3([H])CC[C@](O)(CC)[C@]([H])(C)O3)[C@]([H])(O)C=C2)[C@]([H])(C)C[C@]1([H])C)[C@@]([H])(O)[C@]([H])(C)[C@]1([H])O[C@]([H])(CC[C@]1([H])C)[C@@]([H])(CC)C(O)=O,"InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1",KQXDHUJYNAXLNZ-XQSDOZFQSA-N
DB11545,113378-31-7,Semduramicin,vet_approved,"['1624387', '8265494', '1539028', '10560828', '12162353', '1789442', '15468928', '11261553', '10472843', '8557471']",,D05820,1314385,,,,ZINC000253908023,CHEMBL1207444,,,,71327,[H][C@@]1(C[C@H](O[C@@]2([H])CC[C@H](OC)[C@@H](C)O2)[C@@]([H])(O1)[C@]1(C)CC[C@@]([H])(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@]2([H])O[C@](O)(CC(O)=O)[C@@H](C)[C@H](O)[C@H]2OC)O1)[C@@]1([H])O[C@](C)(O)[C@H](C)C[C@@H]1C,"InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1",WINSLRIENGBHSH-ASZYJFLUSA-N
DB11547,116-45-0,Sulfabromomethazine,vet_approved,"['7275892', '8471859', '13533757', '702292', '721719', '6885694']",,,,,,,ZINC000001687255,CHEMBL2111078,,,145405,8310,CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC(C)=C1Br,"InChI=1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)",KWXCNODTHBHSIQ-UHFFFAOYSA-N
DB11549,14176-49-9,Tiletamine,vet_approved,"['15053744', '14498914', '5115540', '8430114', '7986185', '2729719', '10572857', '14567228', '10884126', '10642872']",,D08596,1535217,,,,,CHEMBL2110703,,,94356,26533,CCNC1(CCCCC1=O)C1=CC=CS1,"InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3",QAXBVGVYDCAVLV-UHFFFAOYSA-N
DB11551,10161-33-8,Trenbolone,vet_approved,"['2695016', '6509304', '504210', '1874853', '2619486', '17162502', '3288174', '16989888', '26040664', '19298713']",,D08627,1484278,,,,ZINC000003814429,CHEMBL3182355,,,35018,25015,[H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1",MEHHPFQKXOUFFV-OWSLCNJRSA-N
DB11552,582-33-2,Tricaine,vet_approved,"['19930828', '23312092', '15769', '6202', '6201', '203816', '19245747', '23805553', '15442296', '3712895']",,D08632,1370418,,FG7,,ZINC000000402652,CHEMBL1702228,,,81494,11400,CCOC(=O)C1=CC(N)=CC=C1,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3",ZMCBYSBVJIMENC-UHFFFAOYSA-N
DB11554,63409-12-1,Tylvalosin,vet_approved,"['19767637', '18767301', '25185108', '22107092', '23948134', '23472021', '22367248', '22998753', '21555771', '20444046']",,,1368469,,,,,CHEMBL2103834,,,,6441094,CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,"InChI=1S/C53H87NO19/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3/b18-17+,28-22+/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-/m1/s1",KCJJINQANFZSAM-HZDSEHBESA-N
DB11555,31352-82-6,Zolazepam,vet_approved,"['15053744', '14498914', '7252822', '8430114', '7986185', '2729719', '10572857', '14567228', '10884126', '10642872']",,,1535252,,,,ZINC000000002259,CHEMBL2111144,,,,35775,CN1N=C(C)C2=C1N(C)C(=O)CN=C2C1=CC=CC=C1F,"InChI=1S/C15H15FN4O/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9/h4-7H,8H2,1-3H3",GDSCFOSHSOWNDL-UHFFFAOYSA-N
DB11556,76631-46-4,Detomidine,vet_approved,,,D07795,22672,,,,ZINC000005116305,CHEMBL2110829,,,,56032,CC1=C(C)C(CC2=CN=CN2)=CC=C1,"InChI=1S/C12H14N2/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)",RHDJRPPFURBGLQ-UHFFFAOYSA-N
DB11558,108-88-3,Toluene,vet_approved,,,,1311381,,MBN,,ZINC000000967534,CHEMBL9113,50008558,TOLUENE,17578,1140,CC1=CC=CC=C1,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",YXFVVABEGXRONW-UHFFFAOYSA-N
DB11560,878672-00-5,Lesinurad,"['approved', 'investigational']",26861027,M04AB05,D09921,1731031,PA166160006,,5075,ZINC000084757007,CHEMBL2105720,,LESINURAD,90929,53465279,OC(=O)CSC1=NN=C(Br)N1C1=CC=C(C2CC2)C2=C1C=CC=C2,"InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)",FGQFOYHRJSUHMR-UHFFFAOYSA-N
DB11561,90-45-9,Aminacrine,experimental,"['22477060', '24341665', '23257326']",D08AA02,,645,,,160,ZINC000019014768,CHEMBL43184,72700,,74789,7019,NC1=C2C=CC=CC2=NC2=C1C=CC=C2,"InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)",XJGFWWJLMVZSIG-UHFFFAOYSA-N
DB11562,485-49-4,Bicuculline,experimental,10398861,,,,,H0Z,,ZINC000019899011,CHEMBL417990,50000693,,3092,10237,[H][C@]1(OC(=O)C2=C1C=CC1=C2OCO1)[C@@]1([H])N(C)CCC2=CC3=C(OCO3)C=C12,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1",IYGYMKDQCDOMRE-ZWKOTPCHSA-N
DB11563,1276027-63-4,Sebelipase alfa,"['approved', 'investigational']",,A16AB14,D10377,1726975,,,,,,,,,,,,
DB11564,68859-20-1,Insulin argine,experimental,,,,1740938,,,,,,,,,,,,
DB11567,1200440-65-8,Insulin peglispro,investigational,,,,,,,,,,,,,,,,
DB11568,874442-57-6,Insulin tregopil,investigational,,,,,,,,,,,,,,,,
DB11569,1143503-69-8,Ixekizumab,"['approved', 'investigational']","['20131262', '11920418', '25748485']",L04AC13,D10071,1745099,,,,,,,,,,,,
DB11570,21245-02-3,Padimate O,approved,10477339,,D05335,32786,,,4270,,CHEMBL1323699,,PADIMATE O,135932,30541,CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3",WYWZRNAHINYAEF-UHFFFAOYSA-N
DB11571,9002-04-4,Human thrombin,approved,"['17635715', '24625330']",,,825006,,,,,,,,,,,,
DB11572,869858-13-9,Thrombin alfa,approved,17635715,,,1367075,,,,,,,,,,,,
DB11573,12359-72-7,Aluminum chlorohydrate,approved,"['28485735', '29034866', '11267710']","['M05BX02', 'D09AA08']",,17610,,,,,,,,,71586946,O.[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-],InChI=1S/2Al.ClH.6H2O/h;;1H;6*1H2/q2*+3;;;;;;;/p-6,ZLVPDILYQLCEJO-UHFFFAOYSA-H
DB11574,1370468-36-2,Elbasvir,approved,"['28497432', '25585348', '27403342', '24127258']","['J05AP10', 'J05AP54']",D10625,1734628,PA166163436,,5080,ZINC000150588351,CHEMBL3039514,50531952,ELBASVIR,132967,71661251,[H][C@]1(CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C1=NC=C(N1)C1=CC2=C(C=C1)N1[C@@H](OC3=C(C=CC(=C3)C3=CN=C(N3)[C@]3([H])CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C1=C2)C1=CC=CC=C1,"InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1",BVAZQCUMNICBAQ-PZHYSIFUSA-N
DB11575,1350514-68-9,Grazoprevir,approved,"['28497432', '22615282', '24666106', '24900473', '25585348']","['J05AP11', 'J05AP54']",D10639,1734630,PA166163437,SUE,5081,ZINC000095551509,CHEMBL2063090,50485492,GRAZOPREVIR,132975,44603531,COC1=CC2=NC3=C(CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)O3)C(C)(C)C)N=C2C=C1,"InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1",OBMNJSNZOWALQB-NCQNOWPTSA-N
DB11576,1309-37-1,Ferric oxide,experimental,,V08CB03,D04168,1310572,,,4443,,,,,50819,518696,O=[Fe]O[Fe]=O,InChI=1S/2Fe.3O,JEIPFZHSYJVQDO-UHFFFAOYSA-N
DB11577,483-20-5,Indigotindisulfonic acid,approved,"['2005716', '933277', '8567045', '28729014']",V04CH02,,325514,,,,ZINC000100005073,CHEMBL1091250,,,90117,,OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1,"InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+",CFZXDJWFRVEWSR-BUHFOSPRSA-N
DB11578,,Hard fat,approved,,,,1368196,,,,,,,,,,,,
DB11579,92062-35-6,Light mineral oil,approved,,,,577312,,,,,,,,,,,,
DB11580,1803171-55-2,Ravulizumab,"['approved', 'investigational']",,L04AA43,,2107316,,,,,,,,,,,,
DB11581,1257044-40-8,Venetoclax,"['approved', 'investigational']","['28056525', '23291630', '27558232', '26589495', '26639348', '27069256', '26953185']",L01XX52,D10679,1747556,PA166153473,LBM,5133,ZINC000150338755,CHEMBL3137309,50162774,ABT-199,133021,49846579,CC1(C)CCC(CN2CCN(CC2)C2=CC=C(C(=O)NS(=O)(=O)C3=CC=C(NCC4CCOCC4)C(=C3)[N+]([O-])=O)C(OC3=CN=C4NC=CC4=C3)=C2)=C(C1)C1=CC=C(Cl)C=C1,"InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)",LQBVNQSMGBZMKD-UHFFFAOYSA-N
DB11582,602-41-5,Thiocolchicoside,experimental,"['19780000', '11554898', '8585121', '11396606', '8161719', '14563464', '16806306', '27042729', '8983937', '21955206', '21552685', '7981928', '17234181']","['M03BX55', 'M03BX05']",D07276,38085,,,4731,ZINC000004245665,CHEMBL213907,233193,,94557,9915886,COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC,"InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1",LEQAKWQJCITZNK-AXHKHJLKSA-N
DB11583,10328-34-4,Cetalkonium,approved,24001405,,,,,,,ZINC000014233334,CHEMBL1624075,,,135523,31203,CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1,"InChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1",QDYLMAYUEZBUFO-UHFFFAOYSA-N
DB11584,467-60-7,Pipradrol,approved,"['13475278', '24486525']",N06BX15,,,,,2195,,CHEMBL2110938,,,135101,10083,[H]N1CCCCC1C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2",XSWHNYGMWWVAIE-UHFFFAOYSA-N
DB11585,155633-54-8,Drometrizole trisiloxane,approved,"['11702366', '18940542']",,,1992874,,,,,,,,,9848888,CC(CC1=C(O)C(=CC(C)=C1)N1N=C2C=CC=CC2=N1)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3",HUVYTMDMDZRHBN-UHFFFAOYSA-N
DB11586,630420-16-5,Asunaprevir,"['withdrawn', 'approved', 'investigational']","['22508297', '22256805', '25061308']","['J05AP06', 'J05AP58']",,1652103,PA166128168,2R9,4889,ZINC000085540202,CHEMBL2105735,50287594,BMS-650032,134723,16076883,COC1=CN=C(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)C2=C1C=CC(Cl)=C2,"InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1",XRWSZZJLZRKHHD-WVWIJVSJSA-N
DB11587,48141-64-6,Etafedrine,approved,"['18859472', '793781', '4039586', '11898947']",,,,,,,ZINC000001846418,,,,,94532,CCN(C)[C@@H](C)[C@H](O)C1=CC=CC=C1,"InChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3/t10-,12-/m0/s1",IRVLBORJKFZWMI-JQWIXIFHSA-N
DB11588,630-08-0,Carbon monoxide,"['approved', 'investigational']","['20811383', '27867475', '23446063', '29360803', '23026155', '26563790', '24488023', '22062367', '16227059']",V04CX08,D09706,2037,,CMO,,,CHEMBL1231840,,CARBON MONOXIDE,17245,281,,InChI=1S/CO/c1-2,UGFAIRIUMAVXCW-UHFFFAOYSA-N
DB11589,7440-01-9,Neon,"['approved', 'investigational']",2004953,,,7301,,,,,,,,49993,23935,[Ne],InChI=1S/Ne,GKAOGPIIYCISHV-UHFFFAOYSA-N
DB11590,54-64-8,Thimerosal,approved,"['23401210', '18049924', '10390852']",D08AK06,D00864,10472,,,,,,512713,,9546,102509829,[Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O,"InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2",RTKIYNMVFMVABJ-UHFFFAOYSA-L
DB11591,202189-78-4,Bilastine,"['approved', 'investigational']","['22616813', '27110120']",R06AX29,,,,,4353,ZINC000003822702,CHEMBL1742423,,BILASTINE,135954,40467029,CCOCCN1C(=NC2=CC=CC=C12)C1CCN(CCC2=CC=C(C=C2)C(C)(C)C(O)=O)CC1,"InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)",ACCMWZWAEFYUGZ-UHFFFAOYSA-N
DB11592,41906-86-9,Nitrocefin,experimental,,,,,,,,ZINC000039995635,CHEMBL480517,,,,6436140,[H][C@]12SCC(\C=C\C3=CC=C(C=C3[N+]([O-])=O)[N+]([O-])=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C(O)=O,"InChI=1S/C21H16N4O8S2/c26-16(9-14-2-1-7-34-14)22-17-19(27)23-18(21(28)29)12(10-35-20(17)23)4-3-11-5-6-13(24(30)31)8-15(11)25(32)33/h1-8,17,20H,9-10H2,(H,22,26)(H,28,29)/b4-3+/t17-,20-/m1/s1",LHNIIDJCEODSHA-OQRUQETBSA-N
DB11593,118-48-9,Isatoic anhydride,experimental,,,,,,,,ZINC000008739076,CHEMBL346059,50201570,,,8359,O=C1NC2=CC=CC=C2C(=O)O1,"InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)",TXJUTRJFNRYTHH-UHFFFAOYSA-N
DB11594,13900-14-6,Domiphen,"['experimental', 'approved']","['4545746', '6381338']",A01AB06,,23623,,,4463,ZINC000006845992,CHEMBL1187011,,DOMIPHEN BROMIDE,135978,3149,CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1,"InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1",YXUPZGKORWTXID-UHFFFAOYSA-N
DB11595,1380723-44-3,Atezolizumab,"['approved', 'investigational']","['16478695', '27412122', '27981577', '30927173', '26952546']",L01XC32,D10773,1792776,,,,,,,,,,,,
DB11596,68538-85-2,Levoleucovorin,"['approved', 'investigational']","['19822510', '2410416', '22332074', '8353099', '2388292', '23032661']","['V03AF10', 'V03AF04']",D04715,877015,PA450198,FFO,,ZINC000009212427,CHEMBL1908841,286,LEVOFOLINATE CALCIUM,63606,135398559,NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1",VVIAGPKUTFNRDU-STQMWFEESA-N
DB11597,,Human Rho(D) immune globulin,"['approved', 'investigational']","['8450718', '813931', '20008198', '10796088', '17897303', '1225487', '1266624', '12504934', '1850307', '19707396']",J06BB01,,1789837,,,,,,,,,,,,
DB11598,9000-94-6,Antithrombin III human,approved,"['65284', '1502714', '8871458', '17515857']",B01AB02,,221062,,,,,,,,,,,,
DB11599,9005-25-8,"Starch, corn","['approved', 'nutraceutical']",,,,1039062,,,,,,,,,,,,
DB11600,8012-89-3,Beeswax,approved,"['27633295', '15777988']",,,1356,,,,,,,,,,,,
DB11601,92129-86-7,Tuberculin purified protein derivative,approved,"['23870090', '11972637', '22762692']",,,8948,,,,,,,,,,,,
DB11602,9004-62-0,Hydroxyethyl cellulose,approved,"['24772038', '2612782', '25735667', '11438427', '16081080', '24363715']",,D04474,27244,,,,,,,,,4327536,CC(O)COCC1OC(OC2C(COCC(C)O)OC(OCC(C)O)C(OCC(C)O)C2OCC(C)O)C(OCC(C)O)C(OCC(C)O)C1OCC(C)O,"InChI=1S/C36H70O19/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41/h19-44H,9-18H2,1-8H3",DFJVHKAPIXJTSC-UHFFFAOYSA-N
DB11603,,"Rabies immune globulin, human",approved,,,,89886,,,,,,,,,,,,
DB11604,,"Tetanus immune globulin, human",approved,23299659,J06BB02,,91603,,,,,,,,,,,,
DB11605,9000-45-7,Myrrh,approved,"['21316424', '11729302', '18640253', '16399617', '19446652', '19635521', '10865454', '11988537', '15814261', '22626923', '18949894', '18343024', '16275996', '17671214', '18691629', '21827494', '21167270']",,,67257,,,,,,,,,,,,
DB11606,1339940-90-7,Susoctocog alfa,"['approved', 'investigational']",27098420,B02BD14,,1592899,,,,,,,,,,,,
DB11607,1270012-79-7,Efmoroctocog alfa,"['approved', 'investigational']","['26149020', '27487799']",,,1543095,,,,,,,,,,,,
DB11608,1270012-74-2,Eftrenonacog alfa,"['approved', 'investigational']","['28646426', '25143713']",,,1535944,,,,,,,,,,,,
DB11609,467-85-6,Normethadone,"['illicit', 'approved']",1852031,R05DA06,D07384,32009,,,1969,ZINC000001847280,CHEMBL346331,,,135242,10090,CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3",WCJFBSYALHQBSK-UHFFFAOYSA-N
DB11610,365-26-4,Oxilofrine,approved,,,D08314,32639,,,3286,ZINC000000056399,CHEMBL1160695,,,134822,688009,[H][C@@](C)(NC)[C@]([H])(O)C1=CC=C(O)C=C1,"InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/m0/s1",OXFGTKPPFSCSMA-XVKPBYJWSA-N
DB11611,1025967-78-5,Lifitegrast,approved,"['26365210', '27883115', '24900456', '28079022', '28163544']",S01XA25,D10374,1801820,,,5174,ZINC000084668739,CHEMBL2048028,50386331,LIFITEGRAST,133023,11965427,CS(=O)(=O)C1=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C3=CC=C4C=COC4=C3)C=C2Cl)C(O)=O)=CC=C1,"InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1",JFOZKMSJYSPYLN-QHCPKHFHSA-N
DB11613,1377049-84-7,Velpatasvir,"['approved', 'investigational']","['28193657', '27353271', '26183611', '24755925', '25585348', '21507963']","['J05AP55', 'J05AP56']",D10806,1799206,PA166163415,,5154,ZINC000203686879,CHEMBL3545062,,GS-5816,133009,67683363,COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)C1=CC=CC=C1)C1=NC=C(N1)C1=CC=C2C(COC3=CC4=C(C=CC5=C4NC(=N5)[C@@H]4CC[C@H](C)N4C(=O)[C@@H](NC(=O)OC)C(C)C)C=C23)=C1,"InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1",FHCUMDQMBHQXKK-CDIODLITSA-N
DB11614,158876-82-5,Rupatadine,approved,"['15457928', '8996188']",R06AX28,,,PA165107052,,2413,ZINC000000598829,CHEMBL91397,50036935,UR-12592,135673,133017,CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1,"InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3",WUZYKBABMWJHDL-UHFFFAOYSA-N
DB11616,72496-41-4,Pirarubicin,investigational,,L01DB08,D01885,33764,,,2198,ZINC000014087429,CHEMBL2354444,,PIRARUBICIN,94770,11296583,[H][C@]1(N)C[C@]([H])(O[C@@]2([H])C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)O[C@@]([H])(C)[C@@]1([H])O[C@]1([H])CCCCO1,"InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21+,22-,31+,32-/m0/s1",KMSKQZKKOZQFFG-YXRRJAAWSA-N
DB11617,57576-44-0,Aclarubicin,investigational,"['23715267', '25961671', '1655244']",L01DB04,D02756,239,,,80,ZINC000085537142,CHEMBL502620,50368351,NSC-208734,74619,86289437,CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=C(C(O)=CC=C1)C3=O,"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1",USZYSDMBJDPRIF-SVEJIMAYSA-N
DB11618,54083-22-6,Zorubicin,experimental,,L01DB05,,,,,2874,ZINC000299888314,,,,135863,57164040,[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(C)=NNC(=O)C1=CC=CC=C1)O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,"InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/t15-,20-,22-,23-,28+,34-/m0/s1",FBTUMDXHSRTGRV-BJISBDEGSA-N
DB11619,16320-04-0,Gestrinone,approved,"['11076067', '2523321', '17707720', '1473163', '2806598']",G03XA02,D04317,4792,,,1292,ZINC000003938633,CHEMBL1868702,50423515,GESTRINONE,89642,27812,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1",BJJXHLWLUDYTGC-ANULTFPQSA-N
DB11620,79778-41-9,Neridronic Acid,"['experimental', 'investigational']",,,,,,NRD,3377,ZINC000001999491,CHEMBL55214,50098383,NERIDRONIC ACID,135145,71237,NCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,"InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)",PUUSSSIBPPTKTP-UHFFFAOYSA-N
DB11621,,Human varicella-zoster immune globulin,approved,"['16188790', '6326634', '23863705', '19630862', '23886000', '6341478']",,,39385,,,,,,,,,,,,
DB11622,81-23-2,Dehydrocholic acid,"['approved', 'investigational']","['2340963', '1502488', '4685091', '2241901']",,D01693,42625,,,794,ZINC000003860869,CHEMBL514446,,,31459,6674,[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1",OHXPGWPVLFPUSM-KLRNGDHRSA-N
DB11623,123122-54-3,Candoxatrilat,experimental,,,D03349,,,,,,CHEMBL434492,50281657,,3354,,COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O,"InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-,16+/m0/s1",ACZWIDANLCXHBM-HRCADAONSA-N
DB11624,261356-80-3,Epoetin delta,"['withdrawn', 'approved', 'investigational']",,,,,,,,,,,,,,,,
DB11625,678-26-2,Perflenapent,"['withdrawn', 'investigational']",,V08DA03,,2474632,,,4685,ZINC000008214647,CHEMBL1899801,,NVX-108,39428,12675,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17",NJCBUSHGCBERSK-UHFFFAOYSA-N
DB11626,94948-59-1,Tasonermin,approved,"['19118493', '21275341', '12655295', '7542214']",L03AX11,,283746,,,,,,,,,,,,
DB11627,,Hepatitis B Vaccine (Recombinant),"['withdrawn', 'approved']",,J07CA08,,797752,,,,,,,,,,,,
DB11628,161982-62-3,Depreotide,withdrawn,,,,,,,2954,,CHEMBL1908335,,DEPREOTIDE,135908,9898619,CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O,"InChI=1S/C65H96N16O12S2/c1-38(2)55-64(92)76-49(26-30-95-37-54(83)72-35-44(69)57(85)74-47(20-10-13-28-67)58(86)79-52(36-94)62(90)73-46(56(70)84)19-9-12-27-66)65(93)81(3)53(32-39-15-5-4-6-16-39)63(91)78-50(31-40-22-24-42(82)25-23-40)60(88)77-51(33-41-34-71-45-18-8-7-17-43(41)45)61(89)75-48(59(87)80-55)21-11-14-29-68/h4-8,15-18,22-25,34,38,44,46-53,55,71,82,94H,9-14,19-21,26-33,35-37,66-69H2,1-3H3,(H2,70,84)(H,72,83)(H,73,90)(H,74,85)(H,75,89)(H,76,92)(H,77,88)(H,78,91)(H,79,86)(H,80,87)/t44-,46-,47-,48-,49-,50-,51+,52-,53-,55-/m0/s1",XXXSJQLZVNKRKX-YQRDHHIGSA-N
DB11629,571170-77-9,Laropiprant,"['withdrawn', 'approved', 'investigational']",,,,,PA166129564,,4326,ZINC000003961849,CHEMBL426559,50205275,MK-0524,135942,9867642,CS(=O)(=O)C1=C2N(CC3=CC=C(Cl)C=C3)C3=C(CC[C@@H]3CC(O)=O)C2=CC(F)=C1,"InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1",NXFFJDQHYLNEJK-CYBMUJFWSA-N
DB11630,122341-38-2,Temoporfin,"['approved', 'investigational']","['10212581', '10487610', '10529768']",L01XD05,D06066,115243,,,2588,,CHEMBL500576,,,9437,,OC1=CC=CC(=C1)C-1=C2\CCC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\-1N2)C1=CC(O)=CC=C1)C1=CC(O)=CC=C1)\C1=CC(O)=CC=C1,"InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",LYPFDBRUNKHDGX-LWQDQPMZSA-N
DB11631,129805-33-0,Eptotermin alfa,"['withdrawn', 'approved', 'investigational']",,M05BC02,,,,,,,,,,,,,,
DB11632,923287-50-7,Opicapone,"['approved', 'investigational']","['17894650', '27498199', '29345156', '23248072', '28322896']",N04BX04,,2362167,,,5143,ZINC000034602275,CHEMBL1089318,50019329,OPICAPONE,134699,135565903,CC1=C(C2=NOC(=N2)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O)C(Cl)=[N+]([O-])C(C)=C1Cl,"InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3",ASOADIZOVZTJSR-UHFFFAOYSA-N
DB11633,241479-67-4,Isavuconazole,"['approved', 'investigational']","['27185799', '27330318', '24187505']",J02AC05,,1720882,,QKM,,ZINC000001485935,CHEMBL409153,,ISAVUCONAZOLE,85979,6918485,C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1,"InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1",DDFOUSQFMYRUQK-RCDICMHDSA-N
DB11634,95522-45-5,Colestilan chloride,"['withdrawn', 'approved', 'investigational']",,V03AE06,,,,,,,,,,,,,,
DB11635,9002-96-4,Tocofersolan,approved,"['12549795', '27429423']",A11HA08,,159151,,,,,,,,,,,,
DB11636,58691-88-6,Nomegestrol,approved,,"['G03FB12', 'G03AA14', 'G03DB04']",D07222,31930,,,4567,ZINC000004217164,CHEMBL2105722,,NOMEGESTROL,135993,68783,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1",KZUIYQJTUIACIG-YBZCJVABSA-N
DB11637,681492-22-8,Delamanid,"['approved', 'investigational']","['25678771', '26055620', '25999726', '23018916', '25210407']",J04AK06,,,,,4819,ZINC000043100810,CHEMBL218650,,OPC-67683,134742,6480466,C[C@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)CN2C=C(N=C2O1)[N+]([O-])=O,"InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1",XDAOLTSRNUSPPH-XMMPIXPASA-N
DB11638,71939-50-9,Artenimol,"['experimental', 'approved', 'investigational']","['26694030', '7986020', '8053024', '12931192', '11286794', '6380017', '9632675', '9057849', '26340163']","['P01BE05', 'P01BF05']",,,,,4194,,CHEMBL25164,50088446,,207229,6918483,[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12?,13-,14-,15-/m1/s1",BJDCWCLMFKKGEE-HVDUHBCDSA-N
DB11639,246539-15-1,Dibotermin alfa,"['approved', 'investigational']","['12473698', '21698428', '19707367', '9879521']",M05BC01,,,,,,,,,,,,,,
DB11640,54-96-6,Amifampridine,"['approved', 'investigational']","['26852139', '28641995', '26101174', '21822385']",N07XX05,,2106338,,L89,4336,ZINC000000164000,CHEMBL354077,50416493,AMIFAMPRIDINE PHOSPHATE,135948,5918,NC1=CC=NC=C1N,"InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)",OYTKINVCDFNREN-UHFFFAOYSA-N
DB11641,162652-95-1,Vinflunine,"['approved', 'investigational']","['11016627', '9515574', '28042310', '18538179']",L01CA05,,,,,3644,ZINC000085537078,CHEMBL2110725,,VINFLUNINE,90241,10629256,CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)C1=CC(OC)=C(C=C41)[C@]1(C[C@@H]3C[C@H](C[N@@](C3)CC3=C1NC1=CC=CC=C31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC,"InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27+,36-,37+,38+,42+,43+,44-,45-/m0/s1",NMDYYWFGPIMTKO-KLCPSUAYSA-N
DB11642,362665-56-3,Pitolisant,"['approved', 'investigational']","['30214155', '28490912', '24107292', '28941245', '29802412', '22356925', '21615387']",N07XX11,,2197878,,,5048,ZINC000034045468,CHEMBL462605,50247053,BF-2.649,134709,9948102,ClC1=CC=C(CCCOCCCN2CCCCC2)C=C1,"InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2",NNACHAUCXXVJSP-UHFFFAOYSA-N
DB11643,,Recombinant Cholera Toxin B Subunit,approved,,,,,,,,,,,,,,,,
DB11644,594839-88-0,Tafamidis,"['approved', 'investigational']","['19816426', '31735731', '31913401', '28803538', '26894299']",N07XX08,D09673,1545063,,3MI,4192,ZINC000043206271,CHEMBL2103837,50197883,FX-1006,78538,11001318,OC(=O)C1=CC=C2N=C(OC2=C1)C1=CC(Cl)=CC(Cl)=C1,"InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)",TXEIIPDJKFWEEC-UHFFFAOYSA-N
DB11645,1029317-21-2,PF-4191834,investigational,,,,,,,,,CHEMBL4297416,,,,24986635,CN1N=CC=C1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1,"InChI=1S/C22H23N3O2S/c1-25-20(9-12-24-25)16-5-7-18(8-6-16)28-19-4-2-3-17(15-19)22(21(23)26)10-13-27-14-11-22/h2-9,12,15H,10-11,13-14H2,1H3,(H2,23,26)",DVNQWYLVSNPCJZ-UHFFFAOYSA-N
DB11646,896731-82-1,Conatumumab,investigational,,,,,,,,,,,,,,,,
DB11647,15866-90-7,Incyclinide,investigational,,,,,,,,ZINC000001649503,CHEMBL2104970,,NSC-683551,,,[H][C@@]12CC3=C(C(O)=CC=C3)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C[C@]1([H])C2,"InChI=1S/C19H17NO7/c20-18(26)14-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)15(23)13(8)16(24)19(9,27)17(14)25/h1-3,8-9,21-22,24,27H,4-6H2,(H2,20,26)/t8-,9-,19-/m0/s1",ZXFCRFYULUUSDW-OWXODZSWSA-N
DB11648,1047644-62-1,Afuresertib,investigational,,,,,,,,ZINC000043197674,CHEMBL2219422,50502477,ASB183,131168,46843057,CN1N=CC(Cl)=C1C1=C(Cl)SC(=C1)C(=O)N[C@H](CN)CC1=CC=CC(F)=C1,"InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1",AFJRDFWMXUECEW-LBPRGKRZSA-N
DB11649,473921-12-9,Lersivirine,investigational,,,,,,ZZE,,ZINC000001912267,CHEMBL571987,50483552,"UK-453,061",177465,16739244,CCC1=NN(CCO)C(CC)=C1OC1=CC(=CC(=C1)C#N)C#N,"InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3",MCPUZZJBAHRIPO-UHFFFAOYSA-N
DB11650,617720-02-2,HT-0712,investigational,,,,,,,,,CHEMBL4297287,,HT-0712,,9865375,COC1=CC=C(C=C1OC1CCCC1)[C@H]1CNC(=O)[C@H](CC2=CC(C)=CC=C2)C1,"InChI=1S/C25H31NO3/c1-17-6-5-7-18(12-17)13-20-14-21(16-26-25(20)27)19-10-11-23(28-2)24(15-19)29-22-8-3-4-9-22/h5-7,10-12,15,20-22H,3-4,8-9,13-14,16H2,1-2H3,(H,26,27)/t20-,21-/m1/s1",ABEJDMOBAFLQNJ-NHCUHLMSSA-N
DB11651,915019-65-7,Dactolisib,investigational,,,,,,,,ZINC000024760115,CHEMBL1879463,92862,NVP-BEZ235-ANA,71952,11977753,CN1C(=O)N(C2=C1C=NC1=CC=C(C=C21)C1=CN=C2C=CC=CC2=C1)C1=CC=C(C=C1)C(C)(C)C#N,"InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3",JOGKUKXHTYWRGZ-UHFFFAOYSA-N
DB11652,937263-43-9,Tucatinib,"['approved', 'investigational']","['29955792', '32241871', '28053022', '15912202', '29804905', '29772459']",,,2361285,,,5389,ZINC000068250462,CHEMBL3989868,471617,ARRY-380,,51039094,CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1,"InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)",SDEAXTCZPQIFQM-UHFFFAOYSA-N
DB11653,189691-06-3,Bremelanotide,"['approved', 'investigational']","['28189361', '29225554', '30251897', '12851303']",,,2176312,,,5329,,,,,,,CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CN=CN2)NC1=O)C(O)=O,"InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1",FFHBJDQSGDNCIV-MFVUMRCOSA-N
DB11654,97846-21-4,T-2000,investigational,,,,,,,,,CHEMBL4297439,,T-2000,,9907289,COCN1C(=O)N(COC)C(=O)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H20N2O5/c1-26-13-21-17(23)20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(24)22(14-27-2)19(21)25/h3-12H,13-14H2,1-2H3",RRFBTKHQZRCRSS-UHFFFAOYSA-N
DB11655,1186486-62-3,Evacetrapib,investigational,,,,,,,,,CHEMBL2017179,50381415,LY2484595,,,CN1N=NC(=N1)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)[C@H]1CCCN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2=C1C=C(C)C=C2C,"InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20-,22-,26-/m0/s1",IHIUGIVXARLYHP-YBXDKENTSA-N
DB11656,90098-04-7,Rebamipide,"['approved', 'investigational']",,A02BX14,,,,,2360,,CHEMBL1697771,,OPC-12759,93814,5042,OC(=O)C(CC1=CC(=O)NC2=C1C=CC=C2)NC(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)",ALLWOAVDORUJLA-UHFFFAOYSA-N
DB11657,1143503-67-6,Tabalumab,investigational,,,,,,,,,,,,,,,,
DB11658,872365-16-7,QAV-680,investigational,,,,,,,,ZINC000034600373,CHEMBL2442750,50442299,QAV680,,11508736,CC1=C(CC(O)=O)C2=CC=CN=C2N1CC1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)",YOPFAMROKXHVCQ-UHFFFAOYSA-N
DB11659,7440-74-6,Indium,investigational,,,,1362699,,,,,,,,30429,24000,[In],InChI=1S/In,APFVFJFRJDLVQX-UHFFFAOYSA-N
DB11660,860005-21-6,Latanoprostene bunod,"['approved', 'investigational']","['27799730', '27210275', '26875002', '27457469', '28234563']",S01EE06,,1988390,,,5261,ZINC000095598449,CHEMBL2364612,,NCX 116,177703,11156438,O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCCCCO[N+]([O-])=O)CCC1=CC=CC=C1,"InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23+,24+,25-,26+/m0/s1",LOVMMUBRQUFEAH-UIEAZXIASA-N
DB11661,944130-77-2,Eptacog alfa pegol (activated),investigational,,,,,,,,,,,,,,,,
DB11662,911222-45-2,Rabusertib,investigational,,,,,,,,ZINC000070466463,CHEMBL3039517,50524309,IC-83,124917,11955855,CC1=NC=C(NC(=O)NC2=C(OC[C@@H]3CNCCO3)C=C(C)C(Br)=C2)N=C1,"InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1",SYYBDNPGDKKJDU-ZDUSSCGKSA-N
DB11663,957054-30-7,Pictilisib,investigational,,,,,,GD9,,ZINC000016052714,CHEMBL521851,25028,PICTILISIB,65326,17755052,CS(=O)(=O)N1CCN(CC2=CC3=C(S2)C(=NC(=N3)C2=C3C=NNC3=CC=C2)N2CCOCC2)CC1,"InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)",LHNIIDJUOCFXAP-UHFFFAOYSA-N
DB11664,520-52-5,Psilocybin,investigational,,,,,,,,ZINC000001530830,CHEMBL194378,50171269,PSILOCYBIN,8614,10624,CN(C)CCC1=CNC2=C1C(OP(O)(O)=O)=CC=C2,"InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)",QVDSEJDULKLHCG-UHFFFAOYSA-N
DB11665,859853-30-8,BMS-690514,investigational,,,,,,,,ZINC000043152599,CHEMBL3545396,185148,BMS-690514,,11349170,COC1=CC=CC(NC2=NC=NN3C=CC(CN4CC[C@@H](N)[C@H](O)C4)=C23)=C1,"InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1",CSGQVNMSRKWUSH-IAGOWNOFSA-N
DB11666,944396-07-0,Buparlisib,investigational,,,,,,SD5,,ZINC000043154039,CHEMBL2017974,50380363,BKM-120,71954,16654980,NC1=CC(=C(C=N1)C1=NC(=NC(=C1)N1CCOCC1)N1CCOCC1)C(F)(F)F,"InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)",CWHUFRVAEUJCEF-UHFFFAOYSA-N
DB11667,135598-68-4,2'-cyano-2'-deoxy-1-(beta-D-arabinofuranosyl)cytosine,investigational,,,,,,,,ZINC000003806784,CHEMBL337450,,TAS-109,145435,119184,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1C#N,"InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1",DCYBPMFXJCWXNB-JWIUVKOKSA-N
DB11668,875455-82-6,Rusalatide acetate,investigational,,,,,,,,,,,,,,,,
DB11669,186348-23-2,Ortataxel,investigational,,,,,,,,ZINC000169362007,CHEMBL382300,,IDN-5109,,6918412,CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]22[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O,"InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1",BWKDAMBGCPRVPI-ZQRPHVBESA-N
DB11670,1176758-04-5,SP-8203,investigational,,,,,,,,,CHEMBL4297642,,OTAPLIMASTAT,,44229378,CC(=O)N(CCCCNCCCN1C(=O)NC2=CC=CC=C2C1=O)CCCN1C(=O)NC2=CC=CC=C2C1=O,"InChI=1S/C28H34N6O5/c1-20(35)32(17-9-19-34-26(37)22-11-3-5-13-24(22)31-28(34)39)16-7-6-14-29-15-8-18-33-25(36)21-10-2-4-12-23(21)30-27(33)38/h2-5,10-13,29H,6-9,14-19H2,1H3,(H,30,38)(H,31,39)",SJZBPVOSFYUHFV-UHFFFAOYSA-N
DB11671,1176760-49-8,AZD-4877,investigational,,,,,,,,,CHEMBL1829433,50353788,AZD 4877,,10368812,CC(C)C(N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=NC2=C(C(C)=NS2)C(=O)N1CC1=CC=CC=C1,"InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3",SMFXSYMLJDHGIE-UHFFFAOYSA-N
DB11672,458-37-7,Curcumin,"['approved', 'investigational']","['27834897', '23143785']",,,2955,,CC9,,ZINC000000899824,CHEMBL140,50140172,,3962,969516,COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O,"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+",VFLDPWHFBUODDF-FCXRPNKRSA-N
DB11673,85-87-0,Pyridoxamine,investigational,,,,,,PXM,,ZINC000034926229,CHEMBL593019,,PYRIDOXAMINE,16410,1052,CC1=C(O)C(CN)=C(CO)C=N1,"InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3",NHZMQXZHNVQTQA-UHFFFAOYSA-N
DB11674,531-95-3,Equol,investigational,,,,1803717,,,,ZINC000000388661,CHEMBL198877,50410528,,34741,91469,OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2,"InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1",ADFCQWZHKCXPAJ-GFCCVEGCSA-N
DB11675,112885-41-3,Mosapride,investigational,,A03FA09,,135091,,,1848,,CHEMBL60889,94630,GASMOTIN,167204,119584,CCOC1=CC(N)=C(Cl)C=C1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1,"InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)",YPELFRMCRYSPKZ-UHFFFAOYSA-N
DB11676,249503-25-1,Galidesivir,investigational,"['31142664', '29864447', '30987343']",,,,,UA2,,ZINC000013492903,CHEMBL1236524,50513995,GALIDESIVIR,,10445549,[H][C@]1(N[C@H](CO)[C@@H](O)[C@H]1O)C1=CNC2=C1N=CN=C2N,"InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1",AMFDITJFBUXZQN-KUBHLMPHSA-N
DB11677,620-67-7,Triheptanoin,"['approved', 'investigational']","['26547562', '31778232', '19745557']",,,1313234,,,5399,ZINC000004521897,CHEMBL4297585,,UX-007,,69286,CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,"InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3",PJHKBYALYHRYSK-UHFFFAOYSA-N
DB11678,299-75-2,Treosulfan,"['approved', 'investigational']",,L01AB02,,38508,,,2718,ZINC000001671094,CHEMBL455186,,OVASTAT,82557,9882105,CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O,"InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1",YCPOZVAOBBQLRI-WDSKDSINSA-N
DB11679,1194506-26-7,Fruquintinib,investigational,,,,,,,,ZINC000114898570,CHEMBL4303214,,HMPL-013,,44480399,CNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12,"InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)",BALLNEJQLSTPIO-UHFFFAOYSA-N
DB11680,1174900-84-5,Ficlatuzumab,investigational,,,,,,,,,,,,,,,,
DB11681,185954-27-2,Tofimilast,investigational,,,,,,,,ZINC000000021914,CHEMBL217899,50202528,TOFIMILAST,188562,9896267,CCC1=NN(C2CCCC2)C2=C1CCN1C(=NN=C21)C1=CC=CS1,"InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3",DHCOPPHTVOXDKU-UHFFFAOYSA-N
DB11682,960539-70-2,Daprodustat,investigational,,,,,,,5421,ZINC000231226004,CHEMBL3544988,,GSK1278863,,91617630,OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,"InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)",RUEYEZADQJCKGV-UHFFFAOYSA-N
DB11683,1435467-37-0,PF-06282999,investigational,,,,,,,,ZINC000205775084,CHEMBL3633460,50133595,PF-06282999,,71571306,COC1=CC=C(Cl)C=C1C1=CC(=O)NC(=S)N1CC(N)=O,"InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)",ICYNYWFGIDGBRD-UHFFFAOYSA-N
DB11684,5291-32-7,APR-246,investigational,,,,,,,,,CHEMBL3186011,,APR-246,,52918385,COCC1(CO)N2CCC(CC2)C1=O,"InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3",BGBNULCRKBVAKL-UHFFFAOYSA-N
DB11685,943453-46-1,Figitumumab,investigational,,,,,,,,,,,,,,,,
DB11686,58754-46-4,Iferanserin,investigational,,,,,,,,ZINC000005599842,CHEMBL3989686,,IFERANSERIN,,6445539,CN1CCCC[C@H]1CCC1=CC=CC=C1NC(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1",UXIPFQUBOVWAQW-UEBLJOKOSA-N
DB11687,603987-35-5,E-6201,investigational,,,,,,E26,,ZINC000034374629,CHEMBL1097999,50515043,E6201,,10172827,CCNC1=CC2=C(C(O)=C1)C(=O)O[C@@H](C)[C@H](C)\C=C/C(=O)[C@@H](O)[C@@H](O)C\C=C\2,"InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1",MWUFVYLAWAXDHQ-HMNLTAHHSA-N
DB11688,81965-43-7,2-chloroethyl-3-sarcosinamide-1-nitrosourea,investigational,,,,,,,,ZINC000003811824,CHEMBL166937,,NSC-364432,,100773,CN(CC(N)=O)C(=O)N(CCCl)N=O,"InChI=1S/C6H11ClN4O3/c1-10(4-5(8)12)6(13)11(9-14)3-2-7/h2-4H2,1H3,(H2,8,12)",HYHJFNXFVPGMBI-UHFFFAOYSA-N
DB11689,606143-52-6,Selumetinib,"['approved', 'investigational']","['29136201', '20436278', '26871793', '27769200', '28019010', '27438013', '28029918', '27751676', '20215513', '22343622', '17126425', '25385055']",,D09666,2289380,PA166129529,3EW,5388,ZINC000031773258,CHEMBL1614701,50355497,SELUMETINIB,90227,10127622,CN1C=NC2=C(F)C(NC3=C(Cl)C=C(Br)C=C3)=C(C=C12)C(=O)NOCCO,"InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)",CYOHGALHFOKKQC-UHFFFAOYSA-N
DB11690,944132-02-9,Vonapanitase,investigational,,,,,,,,,,,,,,,,
DB11691,916072-89-4,Naldemedine,"['approved', 'investigational']",,A06AH05,,1876597,,,5220,,CHEMBL2105755,50503604,S-297995,,54732242,[H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O,"InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1",AXQACEQYCPKDMV-RZAWKFBISA-N
DB11692,941690-55-7,Pavinetant,investigational,,,,,,,,,CHEMBL3545233,50180193,MLE-4901,140478,23649245,CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1",QYTBBBAHNIWFOD-NRFANRHFSA-N
DB11693,515814-01-4,Voclosporin,"['approved', 'investigational']","['32669879', '23996158', '23700374', '31974366']",L04AD03,,,,,4366,,,,,135957,6918486,[H][C@@]1([C@H](O)[C@H](C)C\C=C\C=C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C,"InChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1",BICRTLVBTLFLRD-PTWUADNWSA-N
DB11694,1227939-82-3,Ilorasertib,investigational,,,,,,,,ZINC000063298074,CHEMBL1980297,50381716,ILORASERTIB,,46207586,NC1=C2C(SC=C2C2=CC=C(NC(=O)NC3=CC(F)=CC=C3)C=C2)=C(C=N1)C1=CN(CCO)N=C1,"InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)",WPHKIQPVPYJNAX-UHFFFAOYSA-N
DB11695,305-84-0,Carnosine,investigational,,,,1362697,,8V0,,ZINC000002040854,CHEMBL242948,50485554,Z-103,15727,439224,NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O,"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1",CQOVPNPJLQNMDC-ZETCQYMHSA-N
DB11696,81110-73-8,Racecadotril,investigational,,A07XA04,,16738,,,60,,CHEMBL2103772,50247884,HIDRASEC,91508,107751,CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC1=CC=CC=C1,"InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)",ODUOJXZPIYUATO-UHFFFAOYSA-N
DB11697,937272-79-2,Pacritinib,investigational,,,,,,6T3,,ZINC000043153645,CHEMBL2035187,50210177,PACRITINIB,,46216796,C(CN1CCCC1)OC1=CC=C2NC3=NC=CC(=N3)C3=CC(COC\C=C\COCC1=C2)=CC=C3,"InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+",HWXVIOGONBBTBY-ONEGZZNKSA-N
DB11698,761423-87-4,Ipragliflozin,investigational,,A10BK05,,,,,4890,ZINC000038897728,CHEMBL2018096,50381554,ASP-1941,134724,10453870,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(F)C(CC2=CC3=CC=CC=C3S2)=C1,"InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1",AHFWIQIYAXSLBA-RQXATKFSSA-N
DB11699,89565-68-4,Tropisetron,"['approved', 'investigational']",,A04AA03,,27392,,TKT,2775,ZINC000100019233,CHEMBL56564,50108392,TROPISETRON,32269,,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=CC=CC=C13)N2C,"InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+",ZNRGQMMCGHDTEI-ITGUQSILSA-N
DB11700,920014-72-8,Setmelanotide,"['approved', 'investigational']","['30048591', '27288825', '29031731', '29736023']",,,2469247,,,5416,,CHEMBL3301624,,SETMELANOTIDE,,11993702,[H]N([H])C(=O)[C@@H]1CSSC[C@H](N([H])C(=O)[C@H](CCCN=C(N([H])[H])N([H])[H])N([H])C(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CN=CN2[H])C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CN([H])C3=CC=CC=C23)C(=O)N1,"InChI=1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1",HDHDTKMUACZDAA-PHNIDTBTSA-N
DB11701,841301-32-4,Amenamevir,investigational,,J05AX26,,,,,5266,,CHEMBL4297592,,ASP2151,,11397521,CC1=CC=CC(C)=C1N(CC(=O)NC1=CC=C(C=C1)C1=NOC=N1)C(=O)C1CCS(=O)(=O)CC1,"InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)",MNHNIVNAFBSLLX-UHFFFAOYSA-N
DB11702,91531-30-5,Antineoplaston A10,investigational,,,,,,,,ZINC000001590366,CHEMBL1980825,,ANTINEOPLASTON A 10,,56260,O=C(CC1=CC=CC=C1)N[C@H]1CCC(=O)NC1=O,"InChI=1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)/t10-/m0/s1",OQGRFQCUGLKSAV-JTQLQIEISA-N
DB11703,1420477-60-6,Acalabrutinib,"['approved', 'investigational']","['26957112', '26755518', '30442651']",L01XE51,,1986808,,,5260,ZINC000208774715,CHEMBL3707348,50175583,ACALABRUTINIB,167707,71226662,CC#CC(=O)N1CCC[C@H]1C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1,"InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1",WDENQIQQYWYTPO-IBGZPJMESA-N
DB11704,1488363-78-5,Adomeglivant,investigational,,,,,,,,ZINC000117040414,CHEMBL3707351,,LY-2409021,,91933867,CC1=CC(O[C@@H](CCC(F)(F)F)C2=CC=C(C=C2)C(=O)NCCC(O)=O)=CC(C)=C1C1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1",FASLTMSUPQDLIB-MHZLTWQESA-N
DB11705,78649-41-9,Iomeprol,"['approved', 'investigational']",,V08AB10,D01719,,,,1463,,CHEMBL2107214,,IOMEPROL,31710,3731,CN(C(=O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,"InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)",NJKDOADNQSYQEV-UHFFFAOYSA-N
DB11706,934240-30-9,Raxatrigine,investigational,,,,,,,,ZINC000034892269,CHEMBL3544913,50505255,GSK-1014802,,16046068,NC(=O)[C@@H]1CC[C@@H](N1)C1=CC=C(OCC2=CC=CC=C2F)C=C1,"InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1",JESCETIFNOFKEU-SJORKVTESA-N
DB11707,1390628-22-4,Olaptesed Pegol,investigational,,,,,,,,,,,,,,,,
DB11708,944118-01-8,Peficitinib,investigational,,,,,,,,,,,,,,NC(=O)C1=CN=C2NC=CC2=C1N[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2,"InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14-,18+",DREIJXJRTLTGJC-RRBRBRQDSA-N
DB11709,616204-22-9,Acetyl hexapeptide-3,investigational,,,,1314329,,,,,,,,,71587772,CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=C)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O,"InChI=1S/C35H62N14O11S/c1-18(20(45-19(2)50)9-12-27(52)53)44-23(10-13-28(54)55)31(58)49-25(14-17-61-3)33(60)48-24(8-11-26(36)51)32(59)47-22(7-5-16-43-35(40)41)30(57)46-21(29(37)56)6-4-15-42-34(38)39/h20-25,44H,1,4-17H2,2-3H3,(H2,36,51)(H2,37,56)(H,45,50)(H,46,57)(H,47,59)(H,48,60)(H,49,58)(H,52,53)(H,54,55)(H4,38,39,42)(H4,40,41,43)/t20-,21-,22-,23-,24-,25-/m0/s1",AJLNZWYOJAWBCR-OOPVGHQCSA-N
DB11710,3106-60-3,Trigonellamide,investigational,,,,,,8GC,,ZINC000000155368,CHEMBL71733,50416500,,16797,457,C[N+]1=CC=CC(=C1)C(N)=O,"InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1",LDHMAVIPBRSVRG-UHFFFAOYSA-O
DB11711,473727-83-2,Navarixin,investigational,,,,,,,,,,,,,,CCC[C@@H](NC1=C(CC2=CC=CC(C(=O)N(C)C)=C2O)C(=O)C1=O)C1=CC=C(C)O1,"InChI=1S/C23H26N2O5/c1-5-7-17(18-11-10-13(2)30-18)24-19-16(21(27)22(19)28)12-14-8-6-9-15(20(14)26)23(29)25(3)4/h6,8-11,17,24,26H,5,7,12H2,1-4H3/t17-/m1/s1",IXBYSXNOKFHHDR-QGZVFWFLSA-N
DB11712,1152311-62-0,Tezacaftor,"['approved', 'investigational']","['29099344', '28031875', '14719996', '27714410', '23818513', '30694595', '27636560', '28930490', '29099333']",R07AX31,D11041,1999382,,,5276,ZINC000068206930,CHEMBL3544914,281054,TEZACAFTOR,,46199646,CC(C)(CO)C1=CC2=CC(NC(=O)C3(CC3)C3=CC=C4OC(F)(F)OC4=C3)=C(F)C=C2N1C[C@@H](O)CO,"InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1",MJUVRTYWUMPBTR-MRXNPFEDSA-N
DB11713,1613081-64-3,Ruzasvir,investigational,,,,,,,,,CHEMBL3971095,,,,91936863,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C2N3[C@@H](OC4=C(C3=CC2=C1)C(F)=CC(=C4)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C1=CN=C(S1)C1CC1,"InChI=1S/C49H55FN10O7S/c1-24(2)40(56-48(63)65-5)45(61)58-15-7-9-34(58)42-51-21-31(54-42)27-13-14-33-29(17-27)19-36-39-30(50)18-28(20-37(39)67-47(60(33)36)38-23-53-44(68-38)26-11-12-26)32-22-52-43(55-32)35-10-8-16-59(35)46(62)41(25(3)4)57-49(64)66-6/h13-14,17-26,34-35,40-41,47H,7-12,15-16H2,1-6H3,(H,51,54)(H,52,55)(H,56,63)(H,57,64)/t34-,35-,40-,41-,47-/m0/s1",AXWDHVUJXNOWCC-RAEGKSCOSA-N
DB11714,1428935-60-7,Durvalumab,"['approved', 'investigational']","['31686616', '28717238', '20608753', '28414296', '28643244', '29416316']",L01XC28,D10808,1919503,,,,,,,,,,,,
DB11715,648895-38-9,Bapineuzumab,investigational,,,,,,,,,,,,,,,,
DB11716,13551-87-6,Misonidazole,investigational,,,,,,,,,CHEMBL42161,,RO 7-0582,,26105,COCC(O)CN1C=CN=C1[N+]([O-])=O,"InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3",OBBCSXFCDPPXOL-UHFFFAOYSA-N
DB11717,1204669-58-8,Epacadostat,investigational,,L01XX58,,,,BBJ,,ZINC000113208009,CHEMBL3545369,222999,EPACADOSTAT,,135564890,NS(=O)(=O)NCCNC1=NON=C1\C(NC1=CC=C(F)C(Br)=C1)=N\O,"InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)",FBKMWOJEPMPVTQ-UHFFFAOYSA-N
DB11718,1269440-17-6,Encorafenib,"['approved', 'investigational']","['25769717', '29573941', '29356698', '26586345']",L01XE46,,2049106,PA166179872,,5289,ZINC000068249103,CHEMBL3301612,221688,ENCORAFENIB,,50922675,COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C,"InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1",CMJCXYNUCSMDBY-ZDUSSCGKSA-N
DB11719,934301-71-0,UK-390957,investigational,,,,,,,,ZINC000000593140,CHEMBL505147,50263966,UK-390957,,9884876,CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1,"InChI=1S/C16H20N2O3S2/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H2,17,19,20)",VCNSPGHSQPMCFF-UHFFFAOYSA-N
DB11720,51833-78-4,Angiotensin 1-7,investigational,,,,,,,,ZINC000096077632,CHEMBL3545347,85556,ANGIOTENSIN 1-7,58922,123805,[H][C@](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1",PVHLMTREZMEJCG-GDTLVBQBSA-N
DB11721,146062-49-9,Mitoglitazone,investigational,,,,,,,,,CHEMBL146624,228129,MITOGLITAZONE,94409,10429242,CCC1=CN=C(C=C1)C(=O)COC1=CC=C(CC2SC(=O)NC2=O)C=C1,"InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)",IRNJSRAGRIZIHD-UHFFFAOYSA-N
DB11723,852329-66-9,Dutogliptin,investigational,17919550,,,,,,,ZINC000169746730,CHEMBL4296719,,DUTOGLIPTIN TARTRATE,,11253490,OB(O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCNC1,"InChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1",DVJAMEIQRSHVKC-BDAKNGLRSA-N
DB11724,31362-50-2,Bombesin,investigational,,,,,,,,,CHEMBL437027,85484,BOMBESIN,,101835328,[H]N=C(N([H])[H])N([H])CCC[C@H](N([H])C(=O)[C@H](CCC(=O)N([H])[H])N([H])C(=O)[C@@H]1CCC(=O)N1[H])C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])CC(=O)N([H])[C@@H](CC(=O)N([H])[H])C(=O)N([H])[C@@H](CCC(=O)N([H])[H])C(=O)N([H])[C@@H](CC1=CN([H])C2=CC=CC=C12)C(=O)N([H])[C@@H](C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])CC(=O)N([H])[C@@H](CC1=CN([H])C=N1)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CCSC)C(=O)N([H])[H],"InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1",QXZBMSIDSOZZHK-DOPDSADYSA-N
DB11725,3613-73-8,Latrepirdine,investigational,,,,,,,,ZINC000008144259,CHEMBL589390,50305261,DIMEBOLIN,92976,197033,CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1,"InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3",JNODQFNWMXFMEV-UHFFFAOYSA-N
DB11726,550999-75-2,Encenicline,investigational,,,,,,I33,,ZINC000095579362,CHEMBL2151572,50393255,EVP-6124,,46196517,ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@H]1CN2CCC1CC2,"InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1",SSRDSYXGYPJKRR-ZDUSSCGKSA-N
DB11727,,Endostar,investigational,,,,,,,,,,,,,,,,
DB11729,1345982-69-5,GSK-2330672,investigational,,,,,,,,ZINC000096270862,CHEMBL2387408,47370,LINERIXIBAT,,53492727,CCCC[C@]1(CC)CS(=O)(=O)C2=CC(CNC(CC(O)=O)CC(O)=O)=C(OC)C=C2[C@H](N1)C1=CC=CC=C1,"InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1",CZGVOBIGEBDYTP-VSGBNLITSA-N
DB11730,1211441-98-3,Ribociclib,"['approved', 'investigational']","['16413469', '27542767', '24045179']",L01XE42,D10883,1873916,PA166153470,6ZZ,5218,ZINC000072316335,CHEMBL3545110,148264,RIBOCICLIB,,44631912,CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1,"InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)",RHXHGRAEPCAFML-UHFFFAOYSA-N
DB11731,1585973-65-4,Depatuxizumab mafodotin,investigational,"['26846818', '2211617', '27518442']",,,,,,,,,,,,,,,
DB11732,439239-90-4,Lasmiditan,"['approved', 'investigational']","['30714429', '25584073', '31418454', '29488143', '20855361', '28076702']",,,2256930,,05X,5351,ZINC000003818355,CHEMBL3039520,,LY-573144,,11610526,CN1CCC(CC1)C(=O)C1=CC=CC(NC(=O)C2=C(F)C=C(F)C=C2F)=N1,"InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)",XEDHVZKDSYZQBF-UHFFFAOYSA-N
DB11734,347887-36-9,Fedovapagon,investigational,,,,,,,,ZINC000038471398,CHEMBL518043,50246575,FEDOVAPAGON,,10298385,CN(C)C(=O)[C@@H]1CCCN1C(=O)NCC1=CC=C(C=C1C)C(=O)N1CCCCC2=C1C=CC=C2,"InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1",RUOLFWZIFNQQGH-DEOSSOPVSA-N
DB11735,59-23-4,Galactose,"['approved', 'investigational']","['2510499', '18514139', '16710848', '2567871', '3335319', '12704219', '13065433', '24273939', '14236773', '27894939', '12519857']","['V08DA02', 'V04CE01']",,4626,,,1271,ZINC000100008403,,,,17118,3037556,[H]C(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1",GZCGUPFRVQAUEE-KCDKBNATSA-N
DB11736,853003-48-2,PF-00489791,investigational,,,,,,,,,CHEMBL4210847,50457459,PF-00489791,,11465695,CCOCCN1N=C(C(=O)NS(C)(=O)=O)C2=NC(=NC(NC3=CC(C)=CC=N3)=C12)N(C)CC,"InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)",ZUHZNKJIJDAJFD-UHFFFAOYSA-N
DB11737,610798-31-7,Icotinib,"['experimental', 'investigational']","['21732454', '25675121', '22112293', '26963729', '24588695']",L01XE48,,,PA166114460,,5209,ZINC000043207566,CHEMBL2087361,50391089,ICOTINIB HYDROCHLORIDE,,22024915,C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1,"InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)",QQLKULDARVNMAL-UHFFFAOYSA-N
DB11738,54187-04-1,Rilmenidine,"['approved', 'investigational']",,C02AC06,,55679,,,2381,ZINC000000009708,CHEMBL289480,50070328,HYPERIUM,8862,68712,C1CC1C(NC1=NCCO1)C1CC1,"InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)",CQXADFVORZEARL-UHFFFAOYSA-N
DB11739,881681-00-1,Vonoprazan,investigational,,"['A02BD15', 'A02BD14', 'A02BC08']",,,,HKT,4993,ZINC000034842823,CHEMBL2079130,394392,VONOPRAZAN,136048,15981397,CNCC1=CN(C(=C1)C1=CC=CC=C1F)S(=O)(=O)C1=CC=CN=C1,"InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3",BFDBKMOZYNOTPK-UHFFFAOYSA-N
DB11740,955365-80-7,MK-1775,investigational,,,,,,8X7,,ZINC000063539231,CHEMBL1976040,50240826,MK-1775,91414,24856436,CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=NC(=CC=C2)C(C)(C)O)C=C1,"InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)",BKWJAKQVGHWELA-UHFFFAOYSA-N
DB11741,1044040-56-3,Famitinib,investigational,,,,,,,,,CHEMBL1278146,50331023,SHR1020,,16662431,CCN(CC)CCN1CCC2=C(C(C)=C(N2)\C=C2/C(=O)NC3=CC=C(F)C=C23)C1=O,"InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-",GKEYKDOLBLYGRB-LGMDPLHJSA-N
DB11742,90729-43-4,Ebastine,"['approved', 'investigational']",,R06AX22,,23796,,,977,ZINC000003781952,CHEMBL305660,22873,EBASTINE,31528,3191,CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3",MJJALKDDGIKVBE-UHFFFAOYSA-N
DB11743,1001264-89-6,Ipatasertib,investigational,,,,,,0RF,,ZINC000068250459,CHEMBL2177390,50398379,GDC-0068,95089,24788740,[H][C@](CNC(C)C)(C(=O)N1CCN(CC1)C1=NC=NC2=C1[C@]([H])(C)C[C@@]2([H])O)C1=CC=C(Cl)C=C1,"InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1",GRZXWCHAXNAUHY-NSISKUIASA-N
DB11744,1093643-37-8,Epetraborole,investigational,,,,,,,,ZINC000198027014,CHEMBL3549142,,AN-3365,,46836890,NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO,"InChI=1S/C11H16BNO4/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10/h1,3-4,10,14-15H,2,5-7,13H2/t10-/m1/s1",FXQIIDINBDJDKL-SNVBAGLBSA-N
DB11745,686344-29-6,Otenabant,investigational,"['18059436', '18077343', '18073275']",,,,,,,ZINC000003948997,CHEMBL562668,27337,"CP-945,598",,10052040,CCNC1(CCN(CC1)C1=C2N=C(N(C2=NC=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl)C(N)=O,"InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)",UNAZAADNBYXMIV-UHFFFAOYSA-N
DB11746,1133766-06-9,Onartuzumab,investigational,,,,,,,,,,,,,,,,
DB11747,722543-31-9,Barasertib,investigational,,,,,,,,ZINC000043129461,CHEMBL415049,50241089,BARASERTIB,167636,11497983,CCN(CCCOC1=CC=C2C(NC3=CC(CC(=O)NC4=CC=CC(F)=C4)=NN3)=NC=NC2=C1)CCOP(O)(O)=O,"InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)",GBJVVSCPOBPEIT-UHFFFAOYSA-N
DB11748,22457-89-2,Benfotiamine,"['experimental', 'approved']",,A11DA03,,18891,,,308,ZINC000002015559,CHEMBL4303665,,,,3032771,C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1,"InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-",BTNNPSLJPBRMLZ-LGMDPLHJSA-N
DB11749,57452-98-9,(R)-Praziquantel,investigational,,,,,,PZQ,,ZINC000000000655,CHEMBL1235551,,MSC2499550A,,445900,[H][C@@]12CN(CC(=O)N1CCC1=CC=CC=C21)C(=O)C1CCCCC1,"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m0/s1",FSVJFNAIGNNGKK-KRWDZBQOSA-N
DB11750,25122-41-2,Clobetasol,"['experimental', 'approved', 'investigational']",,"['D07CD01', 'D07AD01']",,2590,,,,ZINC000026892643,CHEMBL1201362,,CLOBETASOL,205919,5311051,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",FCSHDIVRCWTZOX-DVTGEIKXSA-N
DB11751,1051375-10-0,Cabotegravir,"['approved', 'investigational']","['31175220', '23845180', '24144896', '26134155']",,,2475077,,,5440,ZINC000096927633,CHEMBL2403238,50492496,GSK744,172944,54713659,[H][C@@]12CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(O)=C3C(=O)N1[C@@H](C)CO2,"InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1",WCWSTNLSLKSJPK-LKFCYVNXSA-N
DB11752,83314-01-6,Bryostatin 1,investigational,,,,,,,,ZINC000169357315,CHEMBL449158,50258529,,88353,5280757,[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2,"InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1",MJQUEDHRCUIRLF-TVIXENOKSA-N
DB11753,6998-60-3,Rifamycin,"['approved', 'investigational']","['27094342', '15700959', '20236863', '23756321', '28697313', '21402860', '6635432', '23656647']","['A07AA13', 'D06AX15', 'S02AA12', 'S01AA16', 'J04AB03']",D02549,35616,,,4817,ZINC000169633673,CHEMBL437765,50391000,RIFAMYCIN SV,29673,6324616,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C=C(O)C4=C3C2=O,"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1",HJYYPODYNSCCOU-ODRIEIDWSA-N
DB11754,1000676-41-4,Lirilumab,investigational,,,,,,,,,,,,,,,,
DB11755,31262-37-0,Tetrahydrocannabivarin,investigational,"['17828291', '21175579', '28120232', '29533978', '28799497', '20196794', '29842819', '26015168', '22027819', '27086601', '25363799']",,,,,,,ZINC000005649505,CHEMBL2387541,50511105,TETRAHYDROCANNABIVARIN,,93147,CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1,"InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1",ZROLHBHDLIHEMS-HUUCEWRRSA-N
DB11756,955085-14-0,Solanezumab,investigational,,,,,,,,,,,,,,,,
DB11757,155270-99-8,Istradefylline,"['approved', 'investigational']","['30281377', '28881378', '25768849', '23700273']",,,2199015,,,4882,ZINC000003803921,CHEMBL431770,50176050,KW-6002,134726,5311037,[H]\C(=C(\[H])C1=CC(OC)=C(OC)C=C1)C1=NC2=C(N1C)C(=O)N(CC)C(=O)N2CC,"InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+",IQVRBWUUXZMOPW-PKNBQFBNSA-N
DB11758,497223-25-3,Cenicriviroc,investigational,,,,,,,,,CHEMBL2110727,50306033,CENICRIVIROC,149636,11285792,CCCCOCCOC1=CC=C(C=C1)C1=CC2=C(C=C1)N(CC(C)C)CCC\C(=C/2)C(=O)NC1=CC=C(C=C1)[S@@](=O)CC1=CN=CN1CCC,"InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1",PNDKCRDVVKJPKG-WHERJAGFSA-N
DB11759,905579-51-3,Pevonedistat,investigational,,,,,,B39,,ZINC000058660702,CHEMBL1231160,50285607,MLN4924,95028,16720766,[H][C@]1(O)C[C@@]([H])(C[C@@]1([H])COS(N)(=O)=O)N1C=CC2=C(N[C@@]3([H])CCC4=CC=CC=C34)N=CN=C12,"InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1",MPUQHZXIXSTTDU-QXGSTGNESA-N
DB11760,1207456-01-6,Talazoparib,"['approved', 'investigational']","['21989215', '26652717']",L01XX60,,2099704,,2YQ,5300,ZINC000072318110,CHEMBL3137320,50084621,BMN-673,,135565082,CN1N=CN=C1[C@@H]1[C@H](NC2=C3C1=NNC(=O)C3=CC(F)=C2)C1=CC=C(F)C=C1,"InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1",HWGQMRYQVZSGDQ-HZPDHXFCSA-N
DB11761,1234423-95-0,Tenapanor,"['approved', 'investigational']","['28301096', '25404658', '24622516', '28339149', '26065434']",,,2199674,,,5349,,CHEMBL3304485,381823,RDX-5791,,71587953,CN1C[C@@H](C2=CC(=CC=C2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C2=CC(=CC=C2)[C@@H]2CN(C)CC3=C2C=C(Cl)C=C3Cl)C2=C(C1)C(Cl)=CC(Cl)=C2,"InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1",DNHPDWGIXIMXSA-CXNSMIOJSA-N
DB11762,437742-34-2,Marizomib,investigational,,,,,,,,ZINC000003990364,CHEMBL371405,50398608,SALINOSPORAMIDE A,48045,11347535,C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1,"InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1",NGWSFRIPKNWYAO-SHTIJGAHSA-N
DB11763,1056634-68-4,Momelotinib,investigational,,,,,,C87,,ZINC000043199890,CHEMBL1078178,50311017,CYT387,91407,25062766,O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1,"InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)",ZVHNDZWQTBEVRY-UHFFFAOYSA-N
DB11764,1202757-89-8,Spebrutinib,investigational,,,,,,,,ZINC000072319585,CHEMBL3301625,,AVL-292,,59174488,COCCOC1=CC=C(NC2=NC=C(F)C(NC3=CC=CC(NC(=O)C=C)=C3)=N2)C=C1,"InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)",KXBDTLQSDKGAEB-UHFFFAOYSA-N
DB11765,1215197-37-7,PF-04991532,investigational,,,,,,0H6,,ZINC000068250431,CHEMBL2165620,50394681,PF-04991532,,46181428,OC(=O)C1=CC=C(NC(=O)[C@H](CC2CCCC2)N2C=NC(=C2)C(F)(F)F)N=C1,"InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1",GKMLFBRLRVQVJO-ZDUSSCGKSA-N
DB11766,872045-91-5,AZD-1305,investigational,,,,,,,,ZINC000034604616,,,,,44182376,CC(C)(C)OC(=O)NCCN1C[C@H]2CN(CCOC3=CC=C(C=C3F)C#N)C[C@@H](C1)O2,"InChI=1S/C22H31FN4O4/c1-22(2,3)31-21(28)25-6-7-26-12-17-14-27(15-18(13-26)30-17)8-9-29-20-5-4-16(11-24)10-19(20)23/h4-5,10,17-18H,6-9,12-15H2,1-3H3,(H,25,28)/t17-,18+",BLLNYXOLLAVTRF-HDICACEKSA-N
DB11767,1189541-98-7,Sarilumab,"['approved', 'investigational']","['28890641', '26860742', '24297381', '25733246']",L04AC14,,1923319,,,,,,,,,,,,
DB11768,299-85-4,Zytron,"['approved', 'investigational']",,,,,,,,,,,,,9299,COP(=S)(NC(C)C)OC1=CC=C(Cl)C=C1Cl,"InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)",PJFGPJQBWSEWKX-UHFFFAOYSA-N
DB11769,1259933-16-8,Funapide,investigational,,,,,,,,ZINC000113473392,CHEMBL3707218,206760,TV-45070,,49836093,FC(F)(F)C1=CC=C(CN2C(=O)[C@@]3(COC4=C3C=C3OCOC3=C4)C3=CC=CC=C23)O1,"InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1",NEBUOXBYNAHKFV-NRFANRHFSA-N
DB11770,57460-41-0,Talinolol,investigational,,C07AB13,,37546,,,2557,,CHEMBL152067,50502344,TALINOLOL,135533,68770,CC(C)(C)NCC(O)COC1=CC=C(NC(=O)NC2CCCCC2)C=C1,"InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)",MXFWWQICDIZSOA-UHFFFAOYSA-N
DB11771,745013-59-6,Tremelimumab,investigational,,,,,,,,,,,,,,,,
DB11772,934526-89-3,Pilaralisib,investigational,,,,,,,,ZINC000100472223,CHEMBL3360203,50197062,SAR-245408,,56599306,COC1=CC=C(Cl)C(NC2=C(NS(=O)(=O)C3=CC(NC(=O)C(C)(C)N)=CC=C3)N=C3C=CC=CC3=N2)=C1,"InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)",QINPEPAQOBZPOF-UHFFFAOYSA-N
DB11773,1339944-47-6,BMS-903452,investigational,,,,,,,,,CHEMBL3338194,50026240,BMS-903452,,53477157,CS(=O)(=O)C1=CC=C(N2C=C(Cl)C(OC3CCN(CC3)C3=NC=C(Cl)C=N3)=CC2=O)C(F)=C1,"InChI=1S/C21H19Cl2FN4O4S/c1-33(30,31)15-2-3-18(17(24)8-15)28-12-16(23)19(9-20(28)29)32-14-4-6-27(7-5-14)21-25-10-13(22)11-26-21/h2-3,8-12,14H,4-7H2,1H3",OGIAVRWXUPYGGC-UHFFFAOYSA-N
DB11774,127045-41-4,Pazufloxacin,investigational,,J01MA18,,,,,2070,ZINC000003779726,CHEMBL240163,50248017,T-3761,94700,40466872,[H][C@]1(C)COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2C1(N)CC1,"InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1",XAGMUUZPGZWTRP-ZETCQYMHSA-N
DB11775,898044-15-0,PF-03758309,investigational,,,,,,7KC,,ZINC000043203531,CHEMBL3128043,101618,PF-03758309,93751,25227462,CN(C)C[C@@H](NC(=O)N1CC2=C(NN=C2NC2=C3SC=CC3=NC(C)=N2)C1(C)C)C1=CC=CC=C1,"InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1",AYCPARAPKDAOEN-LJQANCHMSA-N
DB11776,1174395-19-7,Brodalumab,"['approved', 'investigational']",,L04AC12,D10061,1872251,,,,,,,,,,,,
DB11777,507289-11-4,Cenderitide,investigational,,,,,,,,,,,,,,,,
DB11778,827318-97-8,Danusertib,investigational,,,,,,627,,ZINC000006718723,CHEMBL402548,12985,DANUSERTIB,94490,11442891,CO[C@@H](C(=O)N1CC2=C(C1)C(NC(=O)C1=CC=C(C=C1)N1CCN(C)CC1)=NN2)C1=CC=CC=C1,"InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1",XKFTZKGMDDZMJI-HSZRJFAPSA-N
DB11779,850876-88-9,Danoprevir,investigational,18086851,,,,,,,ZINC000029058869,CHEMBL258734,50495950,R7227,,11285588,CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)OC(=O)N1CC2=CC=CC(F)=C2C1)C(=O)NS(=O)(=O)C1CC1,"InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1",ZVTDLPBHTSMEJZ-JSZLBQEHSA-N
DB11780,539-86-6,Allicin,investigational,,,,,,,,,CHEMBL359965,50240948,ALLICIN,28411,65036,C=CCSS(=O)CC=C,"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2",JDLKFOPOAOFWQN-UHFFFAOYSA-N
DB11781,238750-77-1,Tosedostat,investigational,,,,,,,,ZINC000013914293,CHEMBL2103847,50277143,CHR-2797,95044,15547703,CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1,"InChI=1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1",FWFGIHPGRQZWIW-SQNIBIBYSA-N
DB11782,1260251-31-7,Birinapant,investigational,,,,,,GT6,,ZINC000096941868,CHEMBL3039522,50071920,TL32711,177705,49836020,CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1CC1=C(NC2=CC(F)=CC=C12)C1=C(C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)C2=CC=C(F)C=C2N1,"InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1",PKWRMUKBEYJEIX-DXXQBUJASA-N
DB11783,89371-37-9,Imidapril,investigational,,C09AA16,,60245,PA452640,,1424,ZINC000003784427,CHEMBL317094,50020400,IMIDAPRIL,135654,40466903,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O,"InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1",KLZWOWYOHUKJIG-BPUTZDHNSA-N
DB11784,1421866-48-9,NRX-1074,investigational,,,,,,,,,CHEMBL3989872,,NRX1074,,71249967,C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1(CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O,"InChI=1S/C25H37N5O6/c1-15(31)19(26)23(35)29-12-6-10-18(29)22(34)30-13-7-11-25(30,14-17-8-4-3-5-9-17)24(36)28-20(16(2)32)21(27)33/h3-5,8-9,15-16,18-20,31-32H,6-7,10-14,26H2,1-2H3,(H2,27,33)(H,28,36)/t15-,16-,18+,19+,20+,25-/m1/s1",DVBUEXCIEIAXPM-PJUQSVSOSA-N
DB11785,55869-99-3,Anisodamine,investigational,,,,,,,,ZINC000003197739,,,ANISODAMINE,,6918612,CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1",WTQYWNWRJNXDEG-RBZJEDDUSA-N
DB11786,381212-03-9,Pefcalcitol,investigational,,,,,,,,ZINC000035308284,CHEMBL3989862,,PEFCALCITOL,,16122802,C[C@H](OCC(=O)NCC(F)(F)C(F)(F)F)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C26H34F5NO4/c1-15-18(11-19(33)12-22(15)34)7-6-17-5-4-10-24(3)20(8-9-21(17)24)16(2)36-13-23(35)32-14-25(27,28)26(29,30)31/h6-8,16,19,21-22,33-34H,1,4-5,9-14H2,2-3H3,(H,32,35)/b17-6+,18-7-/t16-,19+,21-,22-,24+/m0/s1",SVCSMAZYWOQCBW-NVJMFHFGSA-N
DB11787,862505-00-8,Ralimetinib,investigational,,,,,,,,ZINC000034630490,CHEMBL2364626,,LY2228820 DIMESYLATE,,11539025,CC(C)(C)CN1C(N)=NC2=CC=C(N=C12)C1=C(NC(=N1)C(C)(C)C)C1=CC=C(F)C=C1,"InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)",XPPBBJCBDOEXDN-UHFFFAOYSA-N
DB11788,82785-45-3,Neuropeptide Y,"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB11789,83-49-8,Hyodeoxycholic Acid,investigational,,,,,,,,ZINC000003918159,CHEMBL272621,50375596,,52023,5283820,[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,"InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1",DGABKXLVXPYZII-SIBKNCMHSA-N
DB11790,192374-14-4,Radafaxine,investigational,,,,,,,,ZINC000005377133,CHEMBL1172928,50322532,RADAFAXINE,,9795056,C[C@@H]1NC(C)(C)CO[C@@]1(O)C1=CC=CC(Cl)=C1,"InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1",RCOBKSKAZMVBHT-TVQRCGJNSA-N
DB11791,1029712-80-8,Capmatinib,"['approved', 'investigational']","['30309221', '32062076']",,,2362165,,,5392,ZINC000043195321,CHEMBL3188267,50146167,TABRECTA,,25145656,CNC(=O)C1=C(F)C=C(C=C1)C1=NN2C(CC3=CC4=C(C=C3)N=CC=C4)=CN=C2N=C1,"InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)",LIOLIMKSCNQPLV-UHFFFAOYSA-N
DB11792,862189-95-5,Mirodenafil,investigational,,,,,,,5005,ZINC000035077050,CHEMBL4297518,,MIRODENAFIL,136049,135497803,CCCOC1=CC=C(C=C1C1=NC2=C(N(CC)C=C2CCC)C(=O)N1)S(=O)(=O)N1CCN(CCO)CC1,"InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)",MIJFNYMSCFYZNY-UHFFFAOYSA-N
DB11793,1038915-60-4,Niraparib,"['approved', 'investigational']",21718592,L01XX54,,1918231,PA166131610,3JD,5222,ZINC000043206370,CHEMBL1094636,50316226,JNJ-64091742,176844,24958200,NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1,"InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1",PCHKPVIQAHNQLW-CQSZACIVSA-N
DB11794,1232416-25-9,Berzosertib,investigational,,,,,,,,ZINC000096170459,CHEMBL3989870,350085,M6620,131166,59472121,CNCC1=CC=C(C=C1)C1=NOC(=C1)C1=NC(=CN=C1N)C1=CC=C(C=C1)S(=O)(=O)C(C)C,"InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)",JZCWLJDSIRUGIN-UHFFFAOYSA-N
DB11795,1372540-25-4,GSK-2636771,investigational,,,,,,,,ZINC000077024226,CHEMBL3188551,50059637,GSK 2636771,,56949517,CC1=NC2=C(C=C(C=C2N1CC1=C(C)C(=CC=C1)C(F)(F)F)N1CCOCC1)C(O)=O,"InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)",XTKLTGBKIDQGQL-UHFFFAOYSA-N
DB11796,864953-29-7,Fostemsavir,"['approved', 'investigational']","['30980734', '29271653', '22762019', '29920093']",,,2380373,,,5401,ZINC000014210883,CHEMBL3301594,,BMS-663068,,11319217,COC1=CN=C(N2C=NC(C)=N2)C2=C1C(=CN2COP(O)(O)=O)C(=O)C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1,"InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)",SWMDAPWAQQTBOG-UHFFFAOYSA-N
DB11797,131-48-6,Aceneuramic acid,investigational,,M09AX05,,,,SI3,,ZINC000004214715,CHEMBL2105945,,UX001,173082,14017587,CC(=O)N[C@H]([C@@H](O)CC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1",KBGAYAKRZNYFFG-BOHATCBPSA-N
DB11798,899805-25-5,Tanzisertib,investigational,,,,,,KBI,,ZINC000102930548,CHEMBL1950289,50364378,CC-930,,,[H][C@@]1(CCOC1)N1C(NC2=C(F)C=C(F)C=C2F)=NC2=CN=C(N[C@@]3([H])CC[C@]([H])(O)CC3)N=C12,"InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1",IBGLGMOPHJQDJB-IHRRRGAJSA-N
DB11799,1611493-60-7,Bictegravir,"['approved', 'investigational']",5118987,J05AR20,,1999660,,KLQ,5274,,CHEMBL3989866,330048,BICTEGRAVIR,172943,90311989,OC1=C2N(C[C@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCC2=C(F)C=C(F)C=C2F)C1=O,"InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1",SOLUWJRYJLAZCX-LYOVBCGYSA-N
DB11800,475108-18-0,Tivozanib,"['approved', 'investigational']","['33552876', '32692256', '27128461', '22112490', '32234426', '28971328', '27121337']",L01XE34,,2534233,,AV9,5258,ZINC000001489430,CHEMBL1289494,50331095,KRN-951,91327,9911830,COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1,"InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)",SPMVMDHWKHCIDT-UHFFFAOYSA-N
DB11801,117928-94-6,Rapastinel,investigational,,,,,,,,ZINC000071773625,CHEMBL3544917,,RAPASTINEL,,14539800,C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O,"InChI=1S/C18H31N5O6/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27)/t9-,10-,11+,12+,13+,14+/m1/s1",GIBQQARAXHVEGD-BSOLPCOYSA-N
DB11803,1194585-53-9,Sirukumab,investigational,,L04AC15,,,,,,,,,,,,,,
DB11804,780750-65-4,AZD-5672,investigational,,,,,,,,ZINC000036126689,CHEMBL212689,50185666,,,16007088,CCN(C1CCN(CC[C@H](C2=CC=C(C=C2)S(C)(=O)=O)C2=CC(F)=CC(F)=C2)CC1)C(=O)CC1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1",SCXSQUUTGCWHFU-WJOKGBTCSA-N
DB11805,379231-04-6,Saracatinib,investigational,,,,,,H8H,,ZINC000024811973,CHEMBL217092,12255,AZD0530,47458,10302451,CN1CCN(CCOC2=CC3=C(C(NC4=C(Cl)C=CC5=C4OCO5)=NC=N3)C(OC3CCOCC3)=C2)CC1,"InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)",OUKYUETWWIPKQR-UHFFFAOYSA-N
DB11806,220619-73-8,VTP-194204,investigational,,,,,,,,ZINC000001550770,CHEMBL75133,50101445,,,9863341,C\C(\C=C\[C@@H]1C[C@]1(C)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)=C/C(O)=O,"InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1",BOOOLEGQBVUTKC-NVQSDHBMSA-N
DB11807,107538-05-6,Dexmecamylamine,investigational,,,,,,,,ZINC000043763856,CHEMBL2103881,50045047,DEXMECAMYLAMINE,,12358972,CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/m0/s1",IMYZQPCYWPFTAG-NGZCFLSTSA-N
DB11808,801283-95-4,Faldaprevir,investigational,,J05AP04,,,PA166128132,L4T,,ZINC000150339145,CHEMBL1241348,50336545,BI-201335 NA,,42601552,COC1=C(Br)C2=C(C=C1)C(O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)=CC(=N2)C1=CSC(NC(=O)C(C)C)=N1,"InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1",LLGDPTDZOVKFDU-XUHJSTDZSA-N
DB11809,1029939-86-3,Artefenomel,investigational,,,,,,,,,,,,,,C(CN1CCOCC1)OC1=CC=C(C=C1)[C@H]1CC[C@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3,"InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2/t20?,21?,23-,24?,25?,27+,28?",XLCNVWUKICLURR-BGJLAERMSA-N
DB11810,479578-27-3,Etarfolatide,investigational,,,,,,,,,CHEMBL4297280,,EC-20,,135565889,N[C@@H](CNC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2=CNC3=NC=NC(=O)C3=N2)C=C1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O,"InChI=1S/C29H34N10O11S/c30-16(25(44)38-18(7-21(41)42)26(45)39-19(11-51)29(49)50)10-32-20(40)6-5-17(28(47)48)37-24(43)13-1-3-14(4-2-13)31-8-15-9-33-23-22(36-15)27(46)35-12-34-23/h1-4,9,12,16-19,31,51H,5-8,10-11,30H2,(H,32,40)(H,37,43)(H,38,44)(H,39,45)(H,41,42)(H,47,48)(H,49,50)(H,33,34,35,46)/t16-,17+,18-,19-/m0/s1",YZSIZVRFVQKMJU-RDGPPVDQSA-N
DB11811,24136-23-0,Arhalofenate,investigational,,,,,,,,ZINC000002012859,CHEMBL2103824,,ARHALOFENATE,,12082259,CC(=O)NCCOC(=O)[C@H](OC1=CC=CC(=C1)C(F)(F)F)C1=CC=C(Cl)C=C1,"InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1",BJBCSGQLZQGGIQ-QGZVFWFLSA-N
DB11812,110230-98-3,Talaporfin,investigational,,,,,,,2555,,CHEMBL2111186,,TALAPORFIN SODIUM,135875,,CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)/C(/CC(=O)N[C@@H](CC(O)=O)C(O)=O)=C3\N\C(=C/C1=N2)C(C)=C3C(O)=O,"InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1",VSEIDZLLWQQJGK-WSUYNKMOSA-N
DB11813,1245732-48-2,Mipsagargin,investigational,,,,,,,,,CHEMBL3989865,,G-202,,24772106,CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C66H100N6O27/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/b36-9-/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+/m0/s1",UPYNTAIBQVNPIH-ODMLWHIESA-N
DB11814,1023650-66-9,PF-03882845,investigational,,,,,,,,ZINC000058583489,CHEMBL1215331,50324210,,,46871935,OC(=O)C1=CC2=C(C=C1)C1=NN([C@@H](C3CCCC3)[C@H]1CC2)C1=CC=C(C#N)C(Cl)=C1,"InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1",XNULRSOGWPFPBL-REWPJTCUSA-N
DB11815,17035-90-4,Tilarginine,"['approved', 'investigational']",,,,,,NMM,,ZINC000001529776,CHEMBL256147,92900,L-NMMA,28229,46906075,CNC(=N)NCCC[C@H](N)C(O)=O,"InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1",NTNWOCRCBQPEKQ-YFKPBYRVSA-N
DB11816,873697-71-3,Omecamtiv Mecarbil,investigational,,,,,,2OW,,ZINC000038253214,CHEMBL1800955,50348423,CK-1827452,188664,11689883,COC(=O)N1CCN(CC2=C(F)C(NC(=O)NC3=CC=C(C)N=C3)=CC=C2)CC1,"InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)",RFUBTTPMWSKEIW-UHFFFAOYSA-N
DB11817,1187594-09-7,Baricitinib,"['approved', 'investigational']","['23532440', '28255337', '27028914', '23970975']",L04AA37,D10308,2047232,,3JW,5202,ZINC000073069247,CHEMBL2105759,50021656,INCB-028050,95341,44205240,CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1,"InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)",XUZMWHLSFXCVMG-UHFFFAOYSA-N
DB11818,820957-38-8,Retosiban,investigational,,,,,,NU2,,ZINC000006718496,CHEMBL429736,50372608,RETOSIBAN,188651,11340891,CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)C2=COC(C)=N2)C(=O)[C@H](NC1=O)C1CC2=CC=CC=C2C1,"InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1",PLVGDGRBPMVYPB-FDUHJNRSSA-N
DB11819,952565-91-2,ASP-4058,investigational,,,,,,,,,CHEMBL4297350,,ASP-4058,,16755143,C[C@H](OC1=CC=C(C=C1C(F)(F)F)C1=NC(=NO1)C1=CC=C2NC=NC2=C1)C(F)(F)F,"InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1",NJNXCJPSMWKXHO-VIFPVBQESA-N
DB11820,23256-30-6,Nifurtimox,"['approved', 'investigational']","['21057057', '27432838', '2807618', '3151755', '20178775', '1623911', '21861617']",P01CC01,D00833,7421,,,1929,,CHEMBL290960,50259708,BAYER-2502,7566,6842999,CC1CS(=O)(=O)CCN1\N=C\C1=CC=C(O1)[N+]([O-])=O,"InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+",ARFHIAQFJWUCFH-IZZDOVSWSA-N
DB11821,943134-39-2,Danegaptide,investigational,"['17568971', '17845503']",,,,,,,ZINC000040836075,CHEMBL560592,,ZP1609,177853,16656685,NCC(=O)N1C[C@@H](C[C@H]1C(O)=O)NC(=O)C1=CC=CC=C1,"InChI=1S/C14H17N3O4/c15-7-12(18)17-8-10(6-11(17)14(20)21)16-13(19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,20,21)/t10-,11+/m1/s1",BIZKIHUJGMSVFD-MNOVXSKESA-N
DB11822,1204416-97-6,TMC-647055,investigational,,,,,,,,ZINC000084726167,CHEMBL2043025,243456,TMC-647055,,44556044,COC1=CC=C2C3=C(C4CCCCC4)C4=CC=C5C=C4N3CC(=CC2=C1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O,"InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)",UOBYJVFBFSLCTQ-UHFFFAOYSA-N
DB11823,33643-46-8,Esketamine,"['approved', 'investigational']","['28759464', '29392371', '26385066']","['N06AX27', 'N01AX14']",D07283,2119365,,JC9,4468,ZINC000035999642,CHEMBL395091,,SPRAVATO,60799,182137,CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1",YQEZLKZALYSWHR-ZDUSSCGKSA-N
DB11824,903565-83-3,Tofogliflozin,investigational,,,,,,,4892,ZINC000035826342,CHEMBL2110731,50396779,TOFOGLIFLOZIN,136041,46908929,CCC1=CC=C(CC2=CC=C3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C=C1,"InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1",VWVKUNOPTJGDOB-BDHVOXNPSA-N
DB11825,1138245-13-2,Mirogabalin,investigational,,,,,,,,ZINC000113907790,CHEMBL3545125,,DS5565,,59509752,CCC1=C[C@@H]2[C@@H](C[C@]2(CN)CC(O)=O)C1,"InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1",FTBQORVNHOIASH-CKYFFXLPSA-N
DB11826,1278466-20-8,Lampalizumab,investigational,,,,,,,,,,,,,,,,
DB11827,1210344-57-2,Ertugliflozin,"['approved', 'investigational']","['29304014', '29042751', '18996802', '23169609', '21690265']","['A10BD23', 'A10BK04', 'A10BD24']",,1992672,,,5270,ZINC000068197809,CHEMBL1770248,50342885,ERTUGLIFLOZIN,188719,44814423,CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1,"InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1",MCIACXAZCBVDEE-CUUWFGFTSA-N
DB11828,698387-09-6,Neratinib,"['approved', 'investigational']",,L01XE45,,1940643,,,5252,ZINC000003916214,CHEMBL180022,50161957,HKI-272,61397,9915743,CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N,"InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+",JWNPDZNEKVCWMY-VQHVLOKHSA-N
DB11829,169939-94-0,Ruboxistaurin,investigational,,,,,,LY4,3533,ZINC000003812168,CHEMBL91829,50128281,RUBOXISTAURIN,,153999,CN(C)C[C@@H]1CCN2C=C(C3=C2C=CC=C3)C2=C(C(=O)NC2=O)C2=CN(CCO1)C1=C2C=CC=C1,"InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1",ZCBUQCWBWNUWSU-SFHVURJKSA-N
DB11830,726169-73-9,Mocetinostat,investigational,"['17455259', '17868033', '17621879']",,,,,,,ZINC000013986811,CHEMBL272980,24624,MGCD-0103,94525,9865515,NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1,"InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)",HRNLUBSXIHFDHP-UHFFFAOYSA-N
DB11831,97-00-7,Dinitrochlorobenzene,investigational,,,,,,,,ZINC000001540301,CHEMBL292687,50458521,,34718,6,ClC1=C(C=C(C=C1)N(=O)=O)N(=O)=O,InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,VYZAHLCBVHPDDF-UHFFFAOYSA-N
DB11832,670220-88-9,Crenolanib,investigational,,,,,,6T2,,ZINC000003820043,CHEMBL2105728,185149,CRENOLANIB,145365,10366136,CC1(COC2=CC=C3N(C=NC3=C2)C2=CC=C3C=CC=C(N4CCC(N)CC4)C3=N2)COC1,"InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3",DYNHJHQFHQTFTP-UHFFFAOYSA-N
DB11833,802906-73-6,Basimglurant,investigational,,,,,,,,ZINC000006716839,CHEMBL3301626,50071374,BASIMGLURANT,,11438771,CC1=NC(C#CC2=CC=NC(Cl)=C2)=C(C)N1C1=CC=C(F)C=C1,"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3",UPZWINBEAHDTLA-UHFFFAOYSA-N
DB11834,1350289-85-8,Guselkumab,"['approved', 'investigational']","['24679469', '24373779', '18177599', '26201310']",L04AC16,,1928588,,,,,,,,,,,,
DB11835,139096-04-1,Indium In-111 pentetreotide,"['approved', 'investigational']",,V09IB01,,1724429,,,,,,,,,76871863,[111In+3].CC(O)C(CO)N=C(O)C1CSSCC(N=C(O)C(CC2=CC=CC=C2)N=C([O-])CN(CCN(CCC(C(O)=O)C(O)=O)CC([O-])=O)CC([O-])=O)C(O)=NC(CC2=CC=CC=C2)C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC(CCCCN)C([O-])=NC(C(C)O)C(O)=N1,"InChI=1S/C62H84N12O19S2.In/c1-35(76)47(32-75)69-59(88)49-34-95-94-33-48(70-55(84)44(25-37-13-5-3-6-14-37)65-50(78)29-74(31-52(81)82)24-23-73(30-51(79)80)22-20-41(61(90)91)62(92)93)58(87)67-45(26-38-15-7-4-8-16-38)56(85)68-46(27-39-28-64-42-18-10-9-17-40(39)42)57(86)66-43(19-11-12-21-63)54(83)72-53(36(2)77)60(89)71-49;/h3-10,13-18,28,35-36,41,43-49,53,64,75-77H,11-12,19-27,29-34,63H2,1-2H3,(H,65,78)(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)(H,79,80)(H,81,82)(H,90,91)(H,92,93);/q;+3/p-4/i;1-4",ZKZPXKKVDJOAIS-JWFOFJTQSA-J
DB11836,1224844-38-5,Sapanisertib,investigational,,,,2395271,,FE5,,ZINC000073069271,CHEMBL3545097,315477,INK-128,91450,45375953,CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=C2OC(N)=NC2=C1,"InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)",GYLDXIAOMVERTK-UHFFFAOYSA-N
DB11837,928134-65-0,Osilodrostat,"['approved', 'investigational']","['28155129', '25953419', '27481775', '32141023', '23535464']",H02CA02,,2286252,,YSY,5384,ZINC000072318114,CHEMBL3099695,50444549,OSILODROSTAT,,44139752,FC1=C(C=CC(=C1)C#N)[C@H]1CCC2=CN=CN12,"InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1",USUZGMWDZDXMDG-CYBMUJFWSA-N
DB11838,893555-90-3,Revamilast,investigational,,,,,,,,,CHEMBL4297527,,REVAMILAST,,,[O-][N+]1=CC(Cl)=C(NC(=O)C2=CC=C(OC(F)F)C3=C2C2=CN=CC=C2O3)C(Cl)=C1,"InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18H,(H,24,26)",IXQHNBONEVULTL-UHFFFAOYSA-N
DB11839,371131-16-7,PZ-128,investigational,,,,,,,,,CHEMBL4297323,,PZ-128,,72187679,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C55H99N13O9/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-31-47(70)63-41(28-21-23-32-56)51(74)64-42(29-22-24-33-57)52(75)68-46(37-69)54(77)65-43(30-25-34-61-55(59)60)50(73)62-39(4)49(72)67-45(35-38(2)3)53(76)66-44(48(58)71)36-40-26-18-17-19-27-40/h17-19,26-27,38-39,41-46,69H,5-16,20-25,28-37,56-57H2,1-4H3,(H2,58,71)(H,62,73)(H,63,70)(H,64,74)(H,65,77)(H,66,76)(H,67,72)(H,68,75)(H4,59,60,61)/t39-,41-,42-,43-,44-,45-,46-/m0/s1",VZRIKWNVDCTBTF-BKGFHLQYSA-N
DB11840,1005389-60-5,Dalotuzumab,investigational,,,,1432293,,,,,,,,,,,,
DB11841,209783-80-2,Entinostat,investigational,,L01XX64,,,,,,ZINC000001488870,CHEMBL27759,19410,SNDX-275,132082,4261,NC1=CC=CC=C1NC(=O)C1=CC=C(CNC(=O)OCC2=CN=CC=C2)C=C1,"InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)",INVTYAOGFAGBOE-UHFFFAOYSA-N
DB11842,4474-91-3,Angiotensin II,"['approved', 'investigational']",25886853,C01CX09,,1999003,,,5272,,,,,,,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1",CZGUSIXMZVURDU-JZXHSEFVSA-N
DB11843,1258963-59-5,PF-04958242,investigational,,,,,,XPF,,ZINC000072316201,,,BIIB-104,,49853967,CC(C)S(=O)(=O)N[C@H]1COC[C@H]1OC1=CC=C(C=C1)C1=CC=C(S1)C#N,"InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1",TTYKUKSFWHEBLI-DLBZAZTESA-N
DB11844,348086-71-5,Pritelivir,investigational,,,,,,,,ZINC000003955689,CHEMBL4069597,50237366,AIC316,,491941,CN(C(=O)CC1=CC=C(C=C1)C1=CC=CC=N1)C1=NC(C)=C(S1)S(N)(=O)=O,"InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)",IVZKZONQVYTCKC-UHFFFAOYSA-N
DB11845,1058137-23-7,Lucitanib,investigational,,,,,PA166131607,3ZC,,ZINC000077024213,CHEMBL2220486,50399539,CO-3810,65209,25031915,CNC(=O)C1=C2C=CC(OC3=C4C=C(OC)C(OCC5(N)CC5)=CC4=NC=C3)=CC2=CC=C1,"InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)",CUDVHEFYRIWYQD-UHFFFAOYSA-N
DB11846,60-27-5,Creatinine,investigational,,,,2913,,,,ZINC000000967189,CHEMBL65567,,CREATININE,16737,137319715,CN1CC(=O)NC1=N,"InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)",DDRJAANPRJIHGJ-UHFFFAOYSA-N
DB11847,1025097-10-2,Cadazolid,investigational,,,,,,JJH,,,CHEMBL3707376,,CADAZOLID,,44242317,OC[C@H]1CN(C(=O)O1)C1=CC(F)=C(OCC2(O)CCN(CC2)C2=C(F)C=C3C(=O)C(=CN(C4CC4)C3=C2)C(O)=O)C=C1,"InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1",XWFCFMXQTBGXQW-GOSISDBHSA-N
DB11848,3672-15-9,Mannose 6-phosphate,investigational,,,,,,,,ZINC000002508229,,,,48042,6101690,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C=O,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1",VFRROHXSMXFLSN-KVTDHHQDSA-N
DB11849,1365287-97-3,Emibetuzumab,investigational,,,,,,,,,,,,,,,,
DB11850,1174014-05-1,Ublituximab,investigational,,,,,,,,,,,,,,,,
DB11851,859212-16-1,Bafetinib,investigational,,,,,,406,,ZINC000022940637,CHEMBL206834,50178612,NS-187,,11387605,CN(C)[C@H]1CCN(CC2=C(C=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CN=C3)=C2)C(F)(F)F)C1,"InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1",ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
DB11852,1000787-75-6,Tegobuvir,investigational,,,,,,,,ZINC000100057121,CHEMBL1957287,50461671,TEGOBUVIR,,23649154,FC1=CC=CC=C1C1=NC2=CN(CC3=CC=C(N=N3)C3=CC=C(C=C3C(F)(F)F)C(F)(F)F)C=CC2=N1,"InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2",XBEQSQDCBSKCHJ-UHFFFAOYSA-N
DB11853,737789-87-6,Relugolix,"['approved', 'investigational']","['30632129', '26622322', '32912633', '32469183', '31461087', '30937733', '21657270', '26502357']",,,2472778,,,5432,ZINC000043206033,CHEMBL1800159,50347982,ORGOVYX,,10348973,CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)C)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=C(OC)N=N1,"InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)",AOMXMOCNKJTRQP-UHFFFAOYSA-N
DB11854,1379746-42-5,Astodrimer,investigational,"['17404008', '16181143', '16053334', '15795526', '16219368']",,,,,,,,,,,,,,,
DB11855,864750-70-9,Revefenacin,"['approved', 'investigational']","['28128970', '28987804', '26109098', '29736245', '8441331', '27799757', '29096627']",R03BB08,,2102775,,,5303,,CHEMBL3833319,,TD-4208,,11753673,CN(CCN1CCC(CC1)OC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C(=O)C1=CC=C(CN2CCC(CC2)C(N)=O)C=C1,"InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43)",FYDWDCIFZSGNBU-UHFFFAOYSA-N
DB11856,1322627-61-1,Ligelizumab,investigational,"['31913280', '30033911', '31577874', '33459118']",,,,,,,,,,,,,,,
DB11857,1334296-12-6,Seribantumab,investigational,,,,,,,,,,,,,,,,
DB11858,73836-78-9,Leukotriene D4,investigational,,,,,,LTD,,ZINC000004632133,CHEMBL288943,50292408,LEUKOTRIENE D4,28666,5280878,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,"InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1",YEESKJGWJFYOOK-IJHYULJSSA-N
DB11859,516-54-1,Brexanolone,"['approved', 'investigational']","['30532739', '28370307', '23256724', '2418652', '1687613']",,,2121777,,,5324,ZINC000004081043,CHEMBL207538,50191342,SAGE-547,50169,92786,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1",AURFZBICLPNKBZ-SYBPFIFISA-N
DB11860,246529-22-6,Aramchol,investigational,,,,,,,,,CHEMBL4297262,,ARACHIDYL AMIDO CHOLANOIC ACID,,18738120,CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]23)C1,"InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1",SHKXZIQNFMOPBS-OOMQYRRCSA-N
DB11861,910634-41-2,Litronesib,investigational,,,,,,,,ZINC000056898863,CHEMBL2105661,50463316,LY 2523355,,25167017,CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)C1=CC=CC=C1,"InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1",YVAFBXLHPINSIK-QHCPKHFHSA-N
DB11862,1391726-30-9,Landogrozumab,investigational,,,,,,,,,,,,,,,,
DB11863,848141-11-7,Alvelestat,investigational,,,,,,,,ZINC000072316197,CHEMBL3617964,50120430,AZD9668,,46861623,CN1N=CC=C1C1=C(C)N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=C1)C(=O)NCC1=NC=C(C=C1)S(C)(=O)=O,"InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)",QNQZWEGMKJBHEM-UHFFFAOYSA-N
DB11864,377727-87-2,Preladenant,investigational,,,,,,,,ZINC000053006885,CHEMBL240624,50202986,PRELADENANT,,10117987,COCCOC1=CC=C(C=C1)N1CCN(CCN2N=CC3=C2N=C(N)N2N=C(N=C32)C2=CC=CO2)CC1,"InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)",DTYWJKSSUANMHD-UHFFFAOYSA-N
DB11865,649735-63-7,Brivanib alaninate,investigational,,,,,,,,ZINC000029134440,CHEMBL270995,,BRIVANIB ALANINATE,167656,11154925,C[C@H](COC1=CN2N=CN=C(OC3=CC=C4NC(C)=CC4=C3F)C2=C1C)OC(=O)[C@H](C)N,"InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1",LTEJRLHKIYCEOX-OCCSQVGLSA-N
DB11866,909395-70-6,Romosozumab,"['approved', 'investigational']","['28892457', '16478695', '15389672', '29942362', '20593411', '28755782']",M05BX06,,2123180,,,,,,,,,,,,
DB11867,953428-73-4,JNJ-39393406,investigational,,,,,,,,ZINC000114666003,CHEMBL3545291,,JNJ-39393406,,16755766,CN(C)C(=O)CCN1N=C(NC2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC=NC=C1,"InChI=1S/C19H18F2N6O3/c1-26(2)16(28)7-10-27-17(12-5-8-22-9-6-12)24-18(25-27)23-13-3-4-14-15(11-13)30-19(20,21)29-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,23,25)",IURMHZBQEYNQOH-UHFFFAOYSA-N
DB11868,33996-58-6,Etiracetam,investigational,,,,,,,,,CHEMBL1400561,,UCB-6474,176724,59708,CCC(N1CCCC1=O)C(N)=O,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)",HPHUVLMMVZITSG-UHFFFAOYSA-N
DB11869,121584-18-7,Valspodar,investigational,,,,,,,,,CHEMBL1086218,50390978,SDZ PSC 833,8985,5281884,C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C,"InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1",YJDYDFNKCBANTM-QCWCSKBGSA-N
DB11870,847925-91-1,RG-4733,investigational,,,,,,,,ZINC000043208642,CHEMBL4297422,50533417,RO-4929097,86474,49867930,CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C2=CC=CC=C2NC1=O,"InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1",OJPLJFIFUQPSJR-INIZCTEOSA-N
DB11871,862541-45-5,PF-00610355,investigational,,,,,,,,ZINC000064490563,CHEMBL1240967,50326537,PF-610355,,11505444,CC(C)(CC1=CC=CC(CC(=O)NCC2=CC=CC(=C2)C2=CC=C(O)C=C2)=C1)NC[C@H](O)C1=CC=C(O)C(NS(C)(=O)=O)=C1,"InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-12-15-31(39)30(19-28)37-44(3,42)43)20-24-7-4-6-23(16-24)18-33(41)35-21-25-8-5-9-27(17-25)26-10-13-29(38)14-11-26/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1",YPHDIMUXXABSSO-YTTGMZPUSA-N
DB11872,219923-05-4,ZD-6126,investigational,,,,,,,,ZINC000003993833,CHEMBL257662,,ZD 6126,,9896434,COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=C2C=CC(OP(O)(O)=O)=C3)=C1,"InChI=1S/C20H24NO8P/c1-11(22)21-16-8-5-12-9-17(26-2)19(27-3)20(28-4)18(12)14-7-6-13(10-15(14)16)29-30(23,24)25/h6-7,9-10,16H,5,8H2,1-4H3,(H,21,22)(H2,23,24,25)/t16-/m0/s1",UGBMEXLBFDAOGL-INIZCTEOSA-N
DB11873,1352792-74-5,Verinurad,investigational,,,,,,,,ZINC000199107019,CHEMBL3707347,290431,RDEA3170,,54767229,CC(C)(SC1=CC=NC=C1C1=C2C=CC=CC2=C(C=C1)C#N)C(O)=O,"InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)",YYBOLPLTQDKXPM-UHFFFAOYSA-N
DB11874,42553-65-1,Crocin,investigational,,,,2262278,,,,ZINC000245224178,CHEMBL446785,50260195,CROCIN,79068,5281233,C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1",SEBIKDIMAPSUBY-RTJKDTQDSA-N
DB11875,1968-05-4,"3,3'-diindolylmethane",investigational,,,,1603521,,,,ZINC000000187911,CHEMBL446452,50239186,,50182,3071,C(C1=CNC2=CC=CC=C12)C1=CNC2=CC=CC=C12,"InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2",VFTRKSBEFQDZKX-UHFFFAOYSA-N
DB11876,39537-23-0,Alanyl glutamine,investigational,,B05XB02,,1359422,,,4319,ZINC000002504612,CHEMBL3707366,,ALANYL GLUTAMINE,73788,123935,C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1",HJCMDXDYPOUFDY-WHFBIAKZSA-N
DB11877,1159600-41-5,Basmisanil,investigational,,,,,,,,ZINC000145814743,CHEMBL3681419,133427,BASMISANIL,,57336276,CC1=C(COC2=CC=C(C=N2)C(=O)N2CCS(=O)(=O)CC2)C(=NO1)C1=CC=C(F)C=C1,"InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3",VCGRFBXVSFAGGA-UHFFFAOYSA-N
DB11878,877130-28-4,Filibuvir,investigational,,,,,,AG0,,,CHEMBL490672,,FILIBUVIR,177773,54708673,CCC1=CC(CC[C@@]2(CC(O)=C(CC3=NN4C(=N3)N=C(C)C=C4C)C(=O)O2)C2CCCC2)=CC(CC)=N1,"InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1",SLVAPEZTBDBAPI-GDLZYMKVSA-N
DB11879,931395-42-5,Dusquetide,investigational,,,,,,,,,,,,,122177130,CC[C@H](C)C(NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O,"InChI=1S/C25H47N9O5/c1-6-14(4)19(33-21(36)16(26)9-7-11-30-25(28)29)23(38)32-18(13(2)3)24(39)34-12-8-10-17(34)22(37)31-15(5)20(27)35/h13-19H,6-12,26H2,1-5H3,(H2,27,35)(H,31,37)(H,32,38)(H,33,36)(H4,28,29,30)/t14-,15-,16-,17-,18-,19?/m0/s1",ZUJBBVJXXYRPFS-OUROWQTJSA-N
DB11880,89459-25-6,Acridine Carboxamide,investigational,,,,,,,,ZINC000003787606,CHEMBL9940,,,,107805,CN(C)CCNC(=O)C1=C2N=C3C=CC=CC3=CC2=CC=C1,"InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22)",XBGNERSKEKDZDS-UHFFFAOYSA-N
DB11881,747412-64-2,AUY922,investigational,,,,,,,,ZINC000014974925,CHEMBL399583,20924,,,135545855,CCNC(=O)C1=NOC(=C1C1=CC=C(CN2CCOCC2)C=C1)C1=CC(=C(O)C=C1O)C(C)(C)C,"InChI=1S/C27H33N3O5/c1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31/h6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33)",WLYWTGDTMWWNNG-UHFFFAOYSA-N
DB11882,137525-51-0,BPC-157,investigational,,,,,,,,,CHEMBL4297358,,BPC-157,,9941957,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(O)=O,"InChI=1S/C62H98N16O22/c1-31(2)25-37(55(92)74-50(32(3)4)62(99)100)71-46(81)29-65-51(88)33(5)67-53(90)38(26-48(84)85)73-54(91)39(27-49(86)87)72-52(89)34(6)68-57(94)41-15-10-21-75(41)58(95)35(13-7-8-20-63)70-45(80)30-66-56(93)40-14-9-22-76(40)60(97)43-17-12-24-78(43)61(98)42-16-11-23-77(42)59(96)36(18-19-47(82)83)69-44(79)28-64/h31-43,50H,7-30,63-64H2,1-6H3,(H,65,88)(H,66,93)(H,67,90)(H,68,94)(H,69,79)(H,70,80)(H,71,81)(H,72,89)(H,73,91)(H,74,92)(H,82,83)(H,84,85)(H,86,87)(H,99,100)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,50-/m0/s1",HEEWEZGQMLZMFE-RKGINYAYSA-N
DB11883,501951-42-4,SB-705498,investigational,,,,,,,,ZINC000013985502,CHEMBL207433,20504,SB-705498,,9910486,FC(F)(F)C1=CC=C(N=C1)N1CC[C@H](C1)NC(=O)NC1=CC=CC=C1Br,"InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1",JYILLRHXRVTRSH-GFCCVEGCSA-N
DB11884,1436390-64-5,Vadastuximab talirine,investigational,,,,,,,,,,,,,,,,
DB11885,1058156-90-3,Anlotinib,investigational,,,,,,,,ZINC000117924202,CHEMBL4303201,,ANLOTINIB,,25017411,COC1=CC2=C(OC3=CC=C4NC(C)=CC4=C3F)C=CN=C2C=C1OCC1(N)CC1,"InChI=1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3",KSMZEXLVHXZPEF-UHFFFAOYSA-N
DB11886,872511-34-7,Infigratinib,"['approved', 'investigational']","['33307867', '32370101', '27928095']",,,2550729,,07J,5459,ZINC000072105034,CHEMBL1852688,50355393,TRUSELTIQ,63451,53235510,CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1,"InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)",QADPYRIHXKWUSV-UHFFFAOYSA-N
DB11888,203120-46-1,Laninamivir octanoate,investigational,,,,,,LVO,4822,ZINC000014175798,CHEMBL467058,50483194,LANINAMIVIR OCTANOATE,134741,9847629,[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)COC(=O)CCCCCCC,"InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1",UKTIJASCFRNWCB-RMIBSVFLSA-N
DB11889,153322-05-5,Lanicemine,investigational,,,,,,,,ZINC000000006163,CHEMBL467084,,AZD6765,,9794203,N[C@@H](CC1=CC=CC=N1)C1=CC=CC=C1,"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1",FWUQWDCOOWEXRY-ZDUSSCGKSA-N
DB11890,188968-51-6,Cilengitide,investigational,,,,,,,,ZINC000003952216,CHEMBL429876,50235980,CILENGITIDE,177833,176873,CC(C)[C@@H]1N(C)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O,"InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1",AMLYAMJWYAIXIA-VWNVYAMZSA-N
DB11891,1339928-25-4,CUDC-907,investigational,,,,,,,,ZINC000073488511,CHEMBL3622533,50188961,CUDC907,,54575456,COC1=CC=C(C=N1)C1=NC(N2CCOCC2)=C2SC(CN(C)C3=NC=C(C=N3)C(=O)NO)=CC2=N1,"InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)",JOWXJLIFIIOYMS-UHFFFAOYSA-N
DB11892,123447-62-1,Prulifloxacin,investigational,,J01MA17,,,,,2325,,CHEMBL422648,,PRULIFLOXACIN,32071,4916641,CC1SC2=C(C(O)=O)C(=O)C3=CC(F)=C(C=C3N12)N1CCN(CC2=C(C)OC(=O)O2)CC1,"InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)",PWNMXPDKBYZCOO-UHFFFAOYSA-N
DB11893,1146699-66-2,Avagacestat,investigational,,,,,,EN9,,ZINC000043202993,CHEMBL1090771,50458169,AVAGACESTAT,177493,46883536,NC(=O)[C@@H](CCC(F)(F)F)N(CC1=CC=C(C=C1F)C1=NOC=N1)S(=O)(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1",XEAOPVUAMONVLA-QGZVFWFLSA-N
DB11894,223132-37-4,Efatutazone,investigational,,,,,,,,,CHEMBL3545280,50450236,EFATUTAZONE,,9832447,CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC2=CC=C(OC3=CC(C)=C(N)C(C)=C3)C=C12,"InChI=1S/C27H26N4O4S/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33)",JCYNMRJCUYVDBC-UHFFFAOYSA-N
DB11895,258279-04-8,Lenomorelin,investigational,,,,,,,,,,,,,,,,
DB11896,1197160-78-3,Gedatolisib,investigational,,,,,,VL1,,ZINC000049757175,CHEMBL592445,50308135,PKI-587,,44516953,CN(C)C1CCN(CC1)C(=O)C1=CC=C(NC(=O)NC2=CC=C(C=C2)C2=NC(=NC(=N2)N2CCOCC2)N2CCOCC2)C=C1,"InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)",DWZAEMINVBZMHQ-UHFFFAOYSA-N
DB11898,2295-31-0,"2,4-thiazolidinedione",investigational,,,,,,,,ZINC000008554292,CHEMBL85398,50502228,,50992,5437,O=C1CSC(=O)N1,"InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)",ZOBPZXTWZATXDG-UHFFFAOYSA-N
DB11899,891494-63-6,MK-8776,investigational,,,,,,,,ZINC000060328032,CHEMBL2386889,50434372,SCH-900776,,46239015,CN1C=C(C=N1)C1=C2N=C([C@@H]3CCCNC3)C(Br)=C(N)N2N=C1,"InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1",GMIZZEXBPRLVIV-SECBINFHSA-N
DB11900,851723-84-7,OC-459,investigational,,,,,,,,ZINC000043120334,CHEMBL560993,50296977,OC-000459,,11462174,CC1=C(CC2=CC=C3C=CC=CC3=N2)C2=CC(F)=CC=C2N1CC(O)=O,"InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)",FATGTHLOZSXOBC-UHFFFAOYSA-N
DB11901,956104-40-8,Apalutamide,"['approved', 'investigational']","['27160947', '22266222']",L02BB05,,1999574,,,5278,ZINC000043174901,CHEMBL3183409,50094975,ERLEADA,,24872560,CNC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C11CCC1)C1=CC(=C(N=C1)C#N)C(F)(F)F,"InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)",HJBWBFZLDZWPHF-UHFFFAOYSA-N
DB11902,334826-98-1,Gisadenafil,investigational,,,,,,,,ZINC000034016204,CHEMBL1928262,50359770,UK-369003,,135536943,CCOC1=NC=C(C=C1C1=NC2=C(CC)N(CCOC)N=C2C(=O)N1)S(=O)(=O)N1CCN(CC)CC1,"InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)",YPFZMBHKIVDSNR-UHFFFAOYSA-N
DB11903,666260-75-9,GW842166,investigational,,,,,,,,ZINC000003947932,CHEMBL225411,50211843,GW 842166,191043,10253143,FC(F)(F)C1=NC(NC2=C(Cl)C=C(Cl)C=C2)=NC=C1C(=O)NCC1CCOCC1,"InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)",TWQYWUXBZHPIIV-UHFFFAOYSA-N
DB11904,895519-90-1,Flumatinib,investigational,,,,,,,,ZINC000068244727,CHEMBL3545413,50529313,HH-GV678,,46848036,CN1CCN(CC2=CC=C(C=C2C(F)(F)F)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CC=CN=C3)=C(C)N=C2)CC1,"InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)",BJCJYEYYYGBROF-UHFFFAOYSA-N
DB11905,168828-58-8,Sutezolid,investigational,,,,,,9EN,,ZINC000003810825,CHEMBL288149,,SUTEZOLID,,465951,CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(N2CCSCC2)C(F)=C1,"InChI=1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1",FNDDDNOJWPQCBZ-ZDUSSCGKSA-N
DB11906,170157-13-8,Acyline,investigational,,,,,,,,,CHEMBL262747,50102456,ACYLINE,,16137348,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(C)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(C)=O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,"InChI=1S/C80H102ClN15O14/c1-46(2)37-63(72(102)89-62(18-11-12-35-84-47(3)4)80(110)96-36-14-19-70(96)79(109)85-48(5)71(82)101)90-74(104)66(40-53-23-30-60(31-24-53)86-49(6)98)92-76(106)67(41-54-25-32-61(33-26-54)87-50(7)99)94-78(108)69(45-97)95-77(107)68(43-56-15-13-34-83-44-56)93-75(105)65(39-52-21-28-59(81)29-22-52)91-73(103)64(88-51(8)100)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,84,97H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,101)(H,85,109)(H,86,98)(H,87,99)(H,88,100)(H,89,102)(H,90,104)(H,91,103)(H,92,106)(H,93,105)(H,94,108)(H,95,107)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1",ZWNUQDJANZGVFO-YHSALVGYSA-N
DB11907,1374640-70-6,Rociletinib,investigational,,L01XE37,,,,8JC,,ZINC000098043800,CHEMBL3545308,149404,ROCILETINIB,,57335384,COC1=CC(=CC=C1NC1=NC=C(C(NC2=CC=CC(NC(=O)C=C)=C2)=N1)C(F)(F)F)N1CCN(CC1)C(C)=O,"InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)",HUFOZJXAKZVRNJ-UHFFFAOYSA-N
DB11909,172732-68-2,Varespladib,investigational,,,,,,VRD,,ZINC000001543773,CHEMBL148674,50055366,LY315920,189668,155815,CCC1=C(C(=O)C(N)=O)C2=C(OCC(O)=O)C=CC=C2N1CC1=CC=CC=C1,"InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)",BHLXTPHDSZUFHR-UHFFFAOYSA-N
DB11910,1167574-41-5,MK-0249,investigational,,,,,,,,ZINC000038269036,CHEMBL476323,50262939,MK0249,,11697697,CC1=NC2=CC=CC(=C2C(=O)N1C1=CC=C(OCCCN2CCCC2)C=C1)C(F)(F)F,"InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3",DDDZBLNULGDPGA-UHFFFAOYSA-N
DB11911,700874-72-2,Galunisertib,investigational,,,,,,,,ZINC000003959536,CHEMBL2364611,50015640,LY2157299,137064,10090485,CC1=CC=CC(=N1)C1=NN2CCCC2=C1C1=C2C=C(C=CC2=NC=C1)C(N)=O,"InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)",IVRXNBXKWIJUQB-UHFFFAOYSA-N
DB11912,1152107-25-9,Lanopepden,investigational,,,,,,,,,CHEMBL3301608,50535502,GSK1322322J,,52918384,CC1=NC(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)=C(F)C(=N1)N1CCN2CCOC[C@@H]2C1,"InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1",SWHNZGMQMGFQGW-MSOLQXFVSA-N
DB11913,603288-22-8,LY-2090314,investigational,,,,,,,,ZINC000003817327,CHEMBL362558,50150699,LY-2090314,167661,10029385,FC1=CC2=C3N(CCN(C2)C(=O)N2CCCCC2)C=C(C3=C1)C1=C(C(=O)NC1=O)C1=CN=C2C=CC=CN12,"InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)",HRJWTAWVFDCTGO-UHFFFAOYSA-N
DB11914,953400-68-5,Lebrikizumab,investigational,,,,,,,,,,,,,,,,
DB11915,1025504-45-3,Valbenazine,"['approved', 'investigational']","['26346941', '28404690']",N07XX13,,1918219,,,5227,ZINC000043195697,CHEMBL2364639,,INGREZZA,,24795069,COC1=C(OC)C=C2[C@H]3C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN3CCC2=C1,"InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1",GEJDGVNQKABXKG-CFKGEZKQSA-N
DB11916,15750-15-9,Indium In-111,investigational,,,,90540,,,,,,,,,,[111In],InChI=1S/In/i1-4,APFVFJFRJDLVQX-AHCXROLUSA-N
DB11917,1213269-98-7,Vatiquinone,investigational,,,,,,,,,CHEMBL1812161,,EPI-743,,46184405,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O,"InChI=1S/C29H44O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h12,14,16,32H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1",LNOVHERIIMJMDG-XZXLULOTSA-N
DB11918,929901-49-5,Guadecitabine,investigational,,,,,,,,ZINC000043203165,CHEMBL3544916,,SGI-110,,135564655,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N2C=NC(N)=NC2=O)O1,"InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1",GUWXKKAWLCENJA-WGWHJZDNSA-N
DB11919,19916-73-5,6-O-benzylguanine,investigational,,,,,,OBG,,ZINC000005425464,CHEMBL407874,5491,O6-BENZYLGUANINE,,4578,NC1=NC(OCC2=CC=CC=C2)=C2N=CNC2=N1,"InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)",KRWMERLEINMZFT-UHFFFAOYSA-N
DB11920,344413-67-8,Lesogaberan,investigational,,,,,,,,ZINC000040829484,CHEMBL448343,24195,LESOGABERAN,,16686147,NC[C@@H](F)CP(O)=O,"InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1",LJNUIEQATDYXJH-GSVOUGTGSA-N
DB11921,14484-47-0,Deflazacort,"['approved', 'investigational']","['10912543', '20083885', '18279756', '25212041', '12962544', '26457695', '22655512', '7494809', '26140716', '28057083', '28276670', '19882026', '6372406']",H02AB13,D03671,22396,,,793,ZINC000004212809,CHEMBL1201891,,DEFLAZACORT,135720,189821,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@]([H])(O)C[C@]3(C)[C@@]1(N=C(C)O2)C(=O)COC(C)=O,"InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1",FBHSPRKOSMHSIF-GRMWVWQJSA-N
DB11922,954126-98-8,Danirixin,investigational,,,,,,,,ZINC000095627831,CHEMBL3039531,,GSK1325756,,24780598,CC1=C(NC(=O)NC2=CC=C(Cl)C(=C2O)S(=O)(=O)[C@H]2CCCNC2)C=CC=C1F,"InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1",NGYNBSHYFOFVLS-LBPRGKRZSA-N
DB11923,911115-16-7,Decoglurant,investigational,,,,,,,,ZINC000115922684,CHEMBL3301593,,RO4995819,,71533696,NC1=CC=C(C=N1)C#CC1=C2N=C(C=C(N2N=C1)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29)",DMJHZVARRXJSEG-UHFFFAOYSA-N
DB11924,15639-50-6,Safingol,investigational,,,,,,,,ZINC000008214671,CHEMBL1442934,50443385,SPC-100270,179060,3058739,CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO,"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1",OTKJDMGTUTTYMP-ROUUACIJSA-N
DB11925,1009298-59-2,Vistusertib,investigational,,,,,,,,ZINC000059258964,CHEMBL2336325,50429701,AZD-2014,,25262792,CNC(=O)C1=CC(=CC=C1)C1=CC=C2C(N=C(N=C2N2CCOC[C@@H]2C)N2CCOC[C@@H]2C)=N1,"InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1",JUSFANSTBFGBAF-IRXDYDNUSA-N
DB11926,1531594-08-7,Tesidolumab,investigational,,,,,,,,,,,,,,,,
DB11927,398507-55-6,Lodenafil carbonate,investigational,,,,,,,,,CHEMBL4297515,,LODENAFIL CARBONATE,,135431100,CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(CCOC(=O)OCCN2CCN(CC2)S(=O)(=O)C2=CC=C(OCC)C(=C2)C2=NC3=C(N(C)N=C3CCC)C(=O)N2)CC1,"InChI=1S/C47H62N12O11S2/c1-7-11-35-39-41(54(5)52-35)45(60)50-43(48-39)33-29-31(13-15-37(33)67-9-3)71(63,64)58-21-17-56(18-22-58)25-27-69-47(62)70-28-26-57-19-23-59(24-20-57)72(65,66)32-14-16-38(68-10-4)34(30-32)44-49-40-36(12-8-2)53-55(6)42(40)46(61)51-44/h13-16,29-30H,7-12,17-28H2,1-6H3,(H,48,50,60)(H,49,51,61)",MVYUCRDXZXLFSB-UHFFFAOYSA-N
DB11928,1480724-61-5,Vosoritide,"['approved', 'investigational']","['34070375', '27987249']",,,2586354,,,,,,,,,,,,
DB11929,923590-37-8,Vaniprevir,investigational,,,,,PA166128169,SU3,4939,ZINC000095627836,CHEMBL4525964,103836,VANIPREVIR,136047,24765256,[H][C@]1(C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCC1=C3CN(CC3=CC=C1)C(=O)O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1CC)C(=O)NS(=O)(=O)C1CC1,"InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1",KUQWGLQLLVFLSM-ONAXAZCASA-N
DB11930,1393344-72-3,Varlilumab,investigational,,,,,,,,,,,,,,,,
DB11932,1762-34-1,Abametapir,"['approved', 'investigational']","['31083883', '30828591', '28082644']",,,2475532,,EI3,5403,ZINC000000403335,CHEMBL2205807,50401351,ABAMETAPIR,192617,15664,CC1=CC=C(N=C1)C1=CC=C(C)C=N1,"InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3",PTRATZCAGVBFIQ-UHFFFAOYSA-N
DB11933,7724-76-7,Riboprine,investigational,,,,1376156,,ZIR,,ZINC000000057125,CHEMBL452867,,,62881,24405,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(NCC=C(C)C)N=CN=C23)[C@]([H])(O)[C@]1([H])O,"InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1",USVMJSALORZVDV-SDBHATRESA-N
DB11934,872599-83-2,Epelsiban,investigational,,,,,,,,,CHEMBL2037511,50384820,GSK557296,177448,11634973,CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)C2=CC=C(C)N=C2C)C(=O)[C@H](NC1=O)C1CC2=CC=CC=C2C1,"InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1",UWHCWRQFNKUYCG-QUZACWSFSA-N
DB11935,99665-00-6,Flomoxef,investigational,,J01DC14,,,,,1179,ZINC000003874302,CHEMBL15413,,FLOMOXEF,135813,65864,CO[C@]1(NC(=O)CSC(F)F)[C@H]2OCC(CSC3=NN=NN3CCO)=C(N2C1=O)C(O)=O,"InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1",UHRBTBZOWWGKMK-DOMZBBRYSA-N
DB11936,738606-46-7,Bempedoic acid,"['approved', 'investigational']","['30922156', '29609755', '29939848', '30865796', '27663902']",C10AX15,,2282403,,,5382,ZINC000003948738,CHEMBL3545313,,ETC-1002,149601,10472693,CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O,"InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)",HYHMLYSLQUKXKP-UHFFFAOYSA-N
DB11937,492-27-3,Kynurenic Acid,investigational,,,,,,KYA,,ZINC000008584773,CHEMBL299155,50233945,,18344,3845,OC(=O)C1=CC(=O)C2=CC=CC=C2N1,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)",HCZHHEIFKROPDY-UHFFFAOYSA-N
DB11938,1024828-77-0,Difelikefalin,"['approved', 'investigational']","['33190563', '32740217', '33296031']",,,2569089,,,,,CHEMBL3989915,235785,CR-845,,24794466,CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O,"InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1",FWMNVWWHGCHHJJ-SKKKGAJSSA-N
DB11939,1623804-44-3,Henagliflozin,investigational,,,,,,,,ZINC000169698793,CHEMBL4297431,,SHR-3824,,56832738,CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1F,"InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22+/m0/s1",HYTPDMFFHVZBOR-VNXMGFANSA-N
DB11940,143621-35-6,Triapine,investigational,,,,,PA165858618,,,ZINC000006092213,CHEMBL231616,50198892,NSC-663249,,9571836,NC(=S)N\N=C\C1=C(N)C=CC=N1,"InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+",XMYKNCNAZKMVQN-NYYWCZLTSA-N
DB11941,519055-62-0,Tasisulam,investigational,,,,,,P7M,,ZINC000003816311,CHEMBL2110587,,LY-573636,,10160238,ClC1=CC(Cl)=C(C=C1)C(=O)NS(=O)(=O)C1=CC=C(Br)S1,"InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)",WWONFUQGBVOKOF-UHFFFAOYSA-N
DB11942,1393477-72-9,Selinexor,"['approved', 'investigational']","['26926685', '27458288', '25187272', '27507877', '29610030']",L01XX66,,2178390,,,5330,ZINC000096170454,CHEMBL3545185,50527778,XPOVIO,,71481097,FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F,"InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-",DEVSOMFAQLZNKR-RJRFIUFISA-N
DB11943,189279-58-1,Delafloxacin,"['approved', 'investigational']",,J01MA23,,1927663,,,5238,ZINC000003827556,CHEMBL2105637,,RX-3341,,487101,NC1=NC(N2C=C(C(O)=O)C(=O)C3=CC(F)=C(N4CC(O)C4)C(Cl)=C23)=C(F)C=C1F,"InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)",DYDCPNMLZGFQTM-UHFFFAOYSA-N
DB11944,219694-63-0,Ingavirin,investigational,,,,,,,,ZINC000040493529,CHEMBL4297291,,INGAVIRIN,,9942657,OC(=O)CCCC(=O)NCCC1=CNC=N1,"InChI=1S/C10H15N3O3/c14-9(2-1-3-10(15)16)12-5-4-8-6-11-7-13-8/h6-7H,1-5H2,(H,11,13)(H,12,14)(H,15,16)",KZIMLUFVKJLCCH-UHFFFAOYSA-N
DB11945,1537032-82-8,Avelumab,"['approved', 'investigational']","['27592805', '26014098', '23724846', '28274143', '28165004', '28375787', '28373007']",L01XC31,,1875534,,,,,,,,,,,,
DB11946,802904-66-1,AZD-1981,investigational,,,,,,,,ZINC000073196066,CHEMBL1914489,50357102,AZD 1981,,11292191,CC(=O)NC1=C2C(=CC=C1)N(CC(O)=O)C(C)=C2SC1=CC=C(Cl)C=C1,"InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)",JWYIGNODXSRKGP-UHFFFAOYSA-N
DB11947,346688-38-8,Pridopidine,investigational,,,,,PA166115441,,,ZINC000022063703,CHEMBL596802,50308028,ACR-16,,9795739,CCCN1CCC(CC1)C1=CC=CC(=C1)S(C)(=O)=O,"InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3",YGKUEOZJFIXDGI-UHFFFAOYSA-N
DB11948,4707-32-8,Lapachone,investigational,,,,,,,,ZINC000001531790,CHEMBL15192,81348,ARQ-501,10429,3885,CC1(C)CCC2=C(O1)C1=CC=CC=C1C(=O)C2=O,"InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3",QZPQTZZNNJUOLS-UHFFFAOYSA-N
DB11949,334476-46-9,Vestipitant,investigational,,,,,,,,,CHEMBL522987,50413891,GW597599B,,9832383,C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C1=CC=C(F)C=C1C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1",SBBYBXSFWOLDDG-JLTOFOAXSA-N
DB11950,760937-92-6,Teneligliptin,investigational,,,,,,M51,4895,ZINC000036520254,CHEMBL2147777,50391565,TENELIGLIPTIN,136042,11949652,[H][C@]1(CN[C@@]([H])(C1)C(=O)N1CCSC1)N1CCN(CC1)C1=CC(C)=NN1C1=CC=CC=C1,"InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1",WGRQANOPCQRCME-PMACEKPBSA-N
DB11951,1369764-02-2,Lemborexant,"['approved', 'investigational']","['28559480', '29806508', '31830270', '30923834']",,,2272403,,NRK,5360,ZINC000118073503,CHEMBL3545367,50093793,LEMBOREXANT,,56944144,CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC2=NC=C(F)C=C2)C2=CC=CC(F)=C2)C(C)=N1,"InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1",MUGXRYIUWFITCP-PGRDOPGGSA-N
DB11952,1201438-56-3,Duvelisib,"['approved', 'investigational']","['24244039', '28388280', '24211136', '24501284', '28945111', '29191916']",,D10555,2058509,,,5296,ZINC000088346058,CHEMBL3039502,50193013,INK-1197,131169,50905713,C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1,"InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1",SJVQHLPISAIATJ-ZDUSSCGKSA-N
DB11953,1082744-20-4,PF-04447943,investigational,,,,,,7RG,,ZINC000068199983,CHEMBL2179105,50397838,PF-04447943,,135564558,C[C@@H]1CN(CC2=NC=CC=N2)C[C@H]1C1=NC2=C(C=NN2C2CCOCC2)C(=O)N1,"InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1",IWXUVYOOUMLUTQ-CZUORRHYSA-N
DB11954,1026785-55-6,Lomibuvir,investigational,,,,,,,,,CHEMBL3039503,50536235,VX-222,,,C[C@H]1CC[C@@H](CC1)C(=O)N([C@H]1CC[C@H](O)CC1)C1=C(SC(=C1)C#CC(C)(C)C)C(O)=O,"InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)/t16-,17-,18-,19-",WPMJNLCLKAKMLA-VVPTUSLJSA-N
DB11955,182212-66-4,Avotermin,investigational,,,,1427086,,,,,,,,,,,,
DB11956,847499-27-8,Delanzomib,investigational,,,,,,,,ZINC000169748228,CHEMBL270515,50329819,CEP 18770,141530,24800541,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C1=CC=CC(=N1)C1=CC=CC=C1)[C@@H](C)O)B(O)O,"InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1",SJFBTAPEPRWNKH-CCKFTAQKSA-N
DB11957,467459-31-0,Idalopirdine,investigational,,,,,,,,ZINC000095936819,CHEMBL3286580,50019754,LU-AE-58054,,21071390,FC(F)C(F)(F)COC1=CC=CC(CNCCC2=CNC3=CC(F)=CC=C23)=C1,"InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2",YBAWYTYNMZWMMJ-UHFFFAOYSA-N
DB11958,649735-46-6,Brivanib,investigational,,,,,,,,ZINC000013684256,CHEMBL377300,50184807,BRIVANIB,167686,11234052,C[C@@H](O)COC1=CN2N=CN=C(OC3=CC=C4NC(C)=CC4=C3F)C2=C1C,"InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1",WCWUXEGQKLTGDX-LLVKDONJSA-N
DB11959,1095207-05-8,Crenezumab,investigational,,,,,,,,,,,,,,,,
DB11960,99519-84-3,Carboxyamidotriazole,investigational,,,,,,,,ZINC000000538116,CHEMBL95431,97191,CARBOXYAMIDOTRIAZOLE,,108144,NC(=O)C1=C(N)N(CC2=CC(Cl)=C(C(=O)C3=CC=C(Cl)C=C3)C(Cl)=C2)N=N1,"InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)",WNRZHQBJSXRYJK-UHFFFAOYSA-N
DB11961,459814-89-2,AZD-1236,investigational,,,,,,,,ZINC000059688588,CHEMBL4297352,,AZD1236,,24751752,C[C@]1(CS(=O)(=O)N2CCC(CC2)OC2=CC=C(Cl)C=N2)NC(=O)NC1=O,"InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1",SFJFBTPHDHUUPU-OAHLLOKOSA-N
DB11962,958852-01-2,GSK-1059615,investigational,,,,,,,,ZINC000043176569,CHEMBL3544966,,GSK1059615,,23582824,O=C1NC(=O)\C(S1)=C\C1=CC=C2N=CC=C(C3=CC=NC=C3)C2=C1,"InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-",QDITZBLZQQZVEE-YBEGLDIGSA-N
DB11963,1110813-31-4,Dacomitinib,"['approved', 'investigational']","['9751783', '22147075', '28958502', '16282176', '21220471', '18089823', '30247945', '22263017', '23294134', '28646172', '28648122', '20887192']",L01XE47,D09883,2058848,,1C9,5297,ZINC000072266312,CHEMBL2110732,112499,VIZIMPRO,132268,11511120,COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,"InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+",LVXJQMNHJWSHET-AATRIKPKSA-N
DB11964,172152-36-2,Ilaprazole,investigational,,,,,PA165947499,,3961,,CHEMBL2106370,,NOLTEC,135544,214351,COC1=C(C)C(CS(=O)C2=NC3=C(N2)C=CC(=C3)N2C=CC=C2)=NC=C1,"InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)",HRRXCXABAPSOCP-UHFFFAOYSA-N
DB11965,232931-57-6,SJG-136,investigational,,,,,,,,ZINC000003994495,CHEMBL16498,,SJG-136,,393111,COC1=CC2=C(C=C1OCCCOC1=CC3=C(C=C1OC)C(=O)N1CC(=C)C[C@H]1C=N3)N=C[C@@H]1CC(=C)CN1C2=O,"InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1",RWZVMMQNDHPRQD-SFTDATJTSA-N
DB11966,1234490-83-5,BMS-986094,investigational,,,,,,,,,CHEMBL1209734,,BMS-986094,,46700744,COC1=C2N=CN([C@@H]3O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)OC4=C5C=CC=CC5=CC=C4)[C@@H](O)[C@@]3(C)O)C2=NC(N)=N1,"InChI=1S/C30H39N6O9P/c1-17(26(38)42-15-29(2,3)4)35-46(40,45-20-13-9-11-18-10-7-8-12-19(18)20)43-14-21-23(37)30(5,39)27(44-21)36-16-32-22-24(36)33-28(31)34-25(22)41-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21+,23+,27+,30+,46?/m0/s1",YFXGICNMLCGLHJ-RSKRLRQZSA-N
DB11967,606143-89-9,Binimetinib,"['approved', 'investigational']","['28587477', '14670631', '28851243', '28284557', '8019005', '28152546']",L01XE41,,,PA166179867,QO7,5290,ZINC000038460704,CHEMBL3187723,,ARRY-438162,145371,10288191,CN1C=NC2=C(F)C(NC3=CC=C(Br)C=C3F)=C(C=C12)C(=O)NOCCO,"InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)",ACWZRVQXLIRSDF-UHFFFAOYSA-N
DB11968,1255204-84-2,MK-7145,investigational,,,,,,,,,CHEMBL3696475,155921,MK-7145,,59568713,CC1=C2COC(=O)C2=CC=C1[C@@H](O)CN1CCN(C[C@H](O)C2=C(C)C3=C(C=C2)C(=O)OC3)CC1,"InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1",OCKGFTQIICXDQW-ZEQRLZLVSA-N
DB11969,1047634-65-0,Uprosertib,investigational,,,,,,,,ZINC000043197676,CHEMBL3137336,50170284,GSK2141795,,51042438,CN1N=CC(Cl)=C1C1=C(Cl)OC(=C1)C(=O)N[C@H](CN)CC1=CC=C(F)C(F)=C1,"InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1",AXTAPYRUEKNRBA-JTQLQIEISA-N
DB11970,1191448-17-5,Burixafor,investigational,,,,,,,,,,,,,,NC1=NC(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)=NC(=C1)N1CCN(CCP(O)(O)=O)CC1,"InChI=1S/C27H51N8O3P/c28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/h19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33)/t22-,23-",QLVSJMZJSABWRX-YHBQERECSA-N
DB11971,1262108-14-4,Vilaprisan,investigational,,,,,,,,,CHEMBL3989936,,BAY-1002670,,50915138,C[C@]12C[C@H](C3=CC=C(C=C3)S(C)(=O)=O)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F,"InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1",JUFWQQVHQFDUOD-ANRPBIDPSA-N
DB11972,872514-65-3,Rilotumumab,investigational,,,,,,,,,,,,,,,,
DB11973,781613-23-8,Tesevatinib,investigational,,,,,,,,ZINC000114456300,CHEMBL3544983,50524283,XL647,167674,,COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1,"InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14-,15+",HVXKQKFEHMGHSL-QKDCVEJESA-N
DB11974,1013101-36-4,PF-04691502,investigational,,,,,,ML9,,ZINC000117704832,CHEMBL1234354,50380313,PF-4691502,,,COC1=CC=C(C=N1)C1=CC2=C(C)N=C(N)N=C2N([C@H]2CC[C@@H](CC2)OCCO)C1=O,"InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-",XDLYKKIQACFMJG-WKILWMFISA-N
DB11975,1234319-68-6,TAK-448,investigational,,,,,,,,,CHEMBL3924151,50196420,TAK-448,,46700761,[H][C@]1(C[C@@H](O)CN1C(=O)[C@@H](CC1=CC=C(O)C=C1)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(N)=O,"InChI=1S/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1",MWXWMWSUUYXMRA-GRKBUMBKSA-N
DB11976,1326232-46-5,Anifrolumab,"['approved', 'investigational']","['24559157', '32310439', '25606664', '27860434', '28130918', '28653357', '29644080', '29644082', '32960720', '34244988']",,,2565265,,,,,,,,,,,,
DB11977,928037-13-2,Golvatinib,investigational,,,,,,GV0,,ZINC000043195317,CHEMBL3039525,50100615,E-7050,177746,16118392,CN1CCN(CC1)C1CCN(CC1)C(=O)NC1=CC(OC2=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C(F)=C2)=CC=N1,"InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)",UQRCJCNVNUFYDX-UHFFFAOYSA-N
DB11978,1095173-27-5,Glasdegib,"['approved', 'investigational']","['28556364', '22223823', '27866461', '24900436']",L01XX63,,2105845,,,5304,ZINC000068251434,CHEMBL2043437,50385635,GLASDEGIB,145428,25166913,CN1CC[C@H](C[C@@H]1C1=NC2=CC=CC=C2N1)NC(=O)NC1=CC=C(C=C1)C#N,"InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1",SFNSLLSYNZWZQG-VQIMIIECSA-N
DB11979,834153-87-6,Elagolix,"['approved', 'investigational']","['20573927', '27021205', '25581052', '21718982', '19033369']",H01CC03,,2049846,,F5O,5293,ZINC000049888891,CHEMBL1208155,,ELAGOLIX,177453,11250647,COC1=CC=CC(=C1F)C1=C(C)N(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C1=O,"InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1",HEAUOKZIVMZVQL-VWLOTQADSA-N
DB11980,1333-86-4,Carbon black,investigational,,,,2032,,,,,,,,,,,,
DB11981,736992-21-5,Elamipretide,investigational,,,,,,,,ZINC000043130902,CHEMBL3833370,,MTP-131,,11764719,CC1=CC(O)=CC(C)=C1C[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,"InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)/t24-,25+,26+,27+/m1/s1",SFVLTCAESLKEHH-WKAQUBQDSA-N
DB11982,1168091-68-6,GDC-0623,investigational,,,,,,LCJ,,ZINC000043206499,CHEMBL3330650,50025226,,167659,42642654,OCCONC(=O)C1=C(NC2=C(F)C=C(I)C=C2)N2C=NC=C2C=C1,"InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)",RFWVETIZUQEJEF-UHFFFAOYSA-N
DB11983,945781-29-3,Placulumab,investigational,,,,,,,,,,,,,,,,
DB11984,870262-90-1,Letaxaban,investigational,,,,,,443,,ZINC000013986542,CHEMBL1095032,50317098,TAK 442,,11641515,O[C@H](CS(=O)(=O)C1=CC=C2C=C(Cl)C=CC2=C1)C(=O)N1CCC(CC1)N1CCCNC1=O,"InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1",GEHAEMCVKDPMKO-HXUWFJFHSA-N
DB11985,1269726-67-1,Dapaconazole,investigational,,,,,,,,,CHEMBL4297506,,DAPACONAZOLE,,51001696,FC(F)(F)C1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1,"InChI=1S/C19H15Cl2F3N2O/c20-15-5-6-16(17(21)9-15)18(10-26-8-7-25-12-26)27-11-13-1-3-14(4-2-13)19(22,23)24/h1-9,12,18H,10-11H2",FUAHXHWSMYFWGE-UHFFFAOYSA-N
DB11986,1108743-60-7,Entrectinib,"['approved', 'investigational']","['30055343', '26939704', '30425456', '26457764', '31372957', '30050303']",L01XE56,,2197862,,YMX,5345,ZINC000043204146,CHEMBL1983268,158154,RXDX-101,,25141092,CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1,"InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)",HAYYBYPASCDWEQ-UHFFFAOYSA-N
DB11987,1034688-30-6,GSK-2018682,investigational,,,,,,,,,CHEMBL4297542,,GSK2018682,,24988201,CC(C)OC1=C(Cl)C=C(C=N1)C1=NC(=NO1)C1=C2C=CN(CCCC(O)=O)C2=CC=C1,"InChI=1S/C22H21ClN4O4/c1-13(2)30-22-17(23)11-14(12-24-22)21-25-20(26-31-21)16-5-3-6-18-15(16)8-10-27(18)9-4-7-19(28)29/h3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,28,29)",NFIGDBFIDKDNIG-UHFFFAOYSA-N
DB11988,637334-45-3,Ocrelizumab,"['approved', 'investigational']","['27343722', '26788130', '27756172', '28002688']",L04AA36,D05218,1876366,,,,,,,,,,,,
DB11989,22994-85-0,Benznidazole,"['approved', 'investigational']","['25601454', '12198617', '16626984', '25329323', '24347026', '28167558', '27550362', '583230']",P01CA02,D02489,18994,,,322,ZINC000000056949,CHEMBL110,50089916,BENZNIDAZOLE,133833,31593,[O-][N+](=O)C1=NC=CN1CC(=O)NCC1=CC=CC=C1,"InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)",CULUWZNBISUWAS-UHFFFAOYSA-N
DB11990,624733-88-6,MK-0812,investigational,,,,,,,,,CHEMBL4297538,,MK-0812,,71587773,CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CN2CCC3=C(C2)C=C(C=N3)C(F)(F)F)(C1)C(C)C,"InChI=1S/C24H36F3N3O2/c1-16(2)23(7-4-19(11-23)29-21-6-9-32-14-22(21)31-3)15-30-8-5-20-17(13-30)10-18(12-28-20)24(25,26)27/h10,12,16,19,21-22,29H,4-9,11,13-15H2,1-3H3/t19-,21+,22-,23-/m1/s1",UNVWTBOGMHPKJM-CWKRKGSWSA-N
DB11991,935888-69-0,Oprozomib,investigational,,,,,,,,ZINC000043202141,CHEMBL2103884,50398607,ONX 0912,,25067547,COC[C@H](NC(=O)[C@H](COC)NC(=O)C1=CN=C(C)S1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[C@@]1(C)CO1,"InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1",SWZXEVABPLUDIO-WSZYKNRRSA-N
DB11992,1226781-44-7,Omarigliptin,investigational,,,,,,,5054,ZINC000084758480,CHEMBL2105762,50003020,MK-3102,134735,46209133,CS(=O)(=O)N1C=C2CN(CC2=N1)[C@H]1CO[C@@H]([C@@H](N)C1)C1=CC(F)=CC=C1F,"InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1",MKMPWKUAHLTIBJ-ISTRZQFTSA-N
DB11993,1173239-39-8,PF-03463275,investigational,,,,,,,,ZINC000101270900,CHEMBL563251,50293564,PF-03463275,,,[H][C@@]12CN(C)C[C@]1([H])[C@H]2CN(CC1=CC(Cl)=C(F)C=C1)C(=O)C1=CN(C)C=N1,"InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15+",KYLOBHXXQOZRKK-FICVDOATSA-N
DB11994,13739-02-1,Diacerein,"['approved', 'investigational']","['2907037', '11300749', '10806046', '9839088', '11327257']",M01AX21,,22759,,,849,ZINC000003812842,CHEMBL41286,32018,ARTRODAR,94708,26248,CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O,"InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)",TYNLGDBUJLVSMA-UHFFFAOYSA-N
DB11995,570406-98-3,Avatrombopag,"['approved', 'investigational']","['29778606', '27403440', '28339166', '24802775', '27800187']",B02BX08,,2045726,,,5285,ZINC000072190218,CHEMBL2103883,,E5501,,9852519,OC(=O)C1CCN(CC1)C1=C(Cl)C=C(C=N1)C(=O)NC1=NC(C2=CC(Cl)=CS2)=C(S1)N1CCN(CC1)C1CCCCC1,"InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)",OFZJKCQENFPZBH-UHFFFAOYSA-N
DB11996,69558-55-0,Thymopentin,investigational,,L03AX09,,40230,,,2645,,,,,,73013349,CC(C)C(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)/t19-,20-,21-,22-,24?/m0/s1",PSWFFKRAVBDQEG-XXTQFKTOSA-N
DB11997,858376-81-5,Interleukin-7,investigational,"['25851629', '23012326', '29515037']",,,1367202,,,,,,,,,,,,
DB11998,77181-69-2,Sorivudine,investigational,,,,,,,2463,ZINC000003653374,CHEMBL70046,,BRAVAVIR,32152,5282192,OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O,"InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m1/s1",GCQYYIHYQMVWLT-HQNLTJAPSA-N
DB11999,175414-77-4,Vosaroxin,investigational,,L01XX53,,,,,,ZINC000026186622,CHEMBL68117,,VOSAROXIN,,9952884,CN[C@H]1CN(C[C@@H]1OC)C1=CC=C2C(=O)C(=CN(C3=NC=CS3)C2=N1)C(O)=O,"InChI=1S/C18H19N5O4S/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26)/t12-,13-/m0/s1",XZAFZXJXZHRNAQ-STQMWFEESA-N
DB12000,1044870-39-4,Apabetalone,investigational,,,,,,1K0,,ZINC000043199551,CHEMBL2393130,50103503,APABETALONE,,135564749,COC1=CC2=C(C(=O)N=C(N2)C2=CC(C)=C(OCCO)C(C)=C2)C(OC)=C1,"InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)",NETXMUIMUZJUTB-UHFFFAOYSA-N
DB12001,1231929-97-7,Abemaciclib,"['approved', 'investigational']","['24919854', '28540640', '26149830', '27217383']",L01XE50,,1946825,PA166153471,6ZV,5259,ZINC000072318121,CHEMBL3301610,50110183,LY2835219,,46220502,CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C3=CC(F)=C4N=C(C)N(C(C)C)C4=C3)N=C2)CC1,"InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)",UZWDCWONPYILKI-UHFFFAOYSA-N
DB12002,1003566-93-5,AZD-4818,investigational,,,,,,,,,,,,,24955007,CNC(=O)C1=C(OC[C@@H](O)CN2CCC3(CC4=CC(Cl)=CC=C4O3)CC2)C=C(OC(C)(C)C(O)=O)C(Cl)=C1,"InChI=1S/C27H32Cl2N2O7/c1-26(2,25(34)35)37-23-12-22(19(11-20(23)29)24(33)30-3)36-15-18(32)14-31-8-6-27(7-9-31)13-16-10-17(28)4-5-21(16)38-27/h4-5,10-12,18,32H,6-9,13-15H2,1-3H3,(H,30,33)(H,34,35)/t18-/m0/s1",HVTUHSABWJPWNK-SFHVURJKSA-N
DB12003,77642-24-1,Thymosin beta-4,investigational,,,,,,,,,,,,,,,,
DB12004,865783-99-9,Briciclib,investigational,,,,,,,,ZINC000028965775,CHEMBL1206245,,BRICICLIB,,11248490,COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(OP(O)(O)=O)=C2)C(OC)=C1,"InChI=1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+",LXENKEWVEVKKGV-BQYQJAHWSA-N
DB12005,1290543-63-3,Nirogacestat,investigational,,,,,,,,ZINC000038217837,CHEMBL1770916,50458159,NIROGACESTAT,,46224413,CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C,"InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1",VFCRKLWBYMDAED-REWPJTCUSA-N
DB12006,1401066-79-2,BMS-906024,investigational,,,,,,,,ZINC000100285156,CHEMBL4297269,,AL101,131164,66550890,CN1C2=CC=CC=C2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C1=O)C1=CC=CC=C1,"InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1",AYOUDDAETNMCBW-GSHUGGBRSA-N
DB12007,574-12-9,Isoflavone,experimental,"['24898224', '18492864', '22228950']",,,,,,,ZINC000000895390,CHEMBL366460,,ISOFLAVONE,18220,72304,O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1,InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H,GOMNOOKGLZYEJT-UHFFFAOYSA-N
DB12008,1234015-52-1,Prexasertib,investigational,,,,,,,,ZINC000095837013,CHEMBL3544911,50524300,PREXASERTIB,,46700756,COC1=CC=CC(OCCCN)=C1C1=CC(NC2=CN=C(C=N2)C#N)=NN1,"InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)",DOTGPNHGTYJDEP-UHFFFAOYSA-N
DB12009,221148-46-5,GW-406381,investigational,,,,,,,,ZINC000000583671,CHEMBL364804,50153982,GW 406381,,9832687,CCOC1=CC=C(C=C1)C1=NN2N=CC=CC2=C1C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3",NXMZBNYLCVTRGB-UHFFFAOYSA-N
DB12010,901119-35-5,Fostamatinib,"['approved', 'investigational']","['20371637', '33367731', '20053395', '33979301', '12517949', '26516587', '33294858', '23190017', '20553955', '16946104']",B02BX09,,2044896,,2RC,5280,ZINC000043131420,CHEMBL2103830,50431381,R935788 SODIUM,,11671467,COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC,"InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)",GKDRMWXFWHEQQT-UHFFFAOYSA-N
DB12011,872365-14-5,Fevipiprant,investigational,,,,,,FSY,,ZINC000043101772,CHEMBL3137332,50233520,QAW039,,23582412,CC1=C(CC(O)=O)C2=CC=CN=C2N1CC1=CC=C(C=C1C(F)(F)F)S(C)(=O)=O,"InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)",GFPPXZDRVCSVNR-UHFFFAOYSA-N
DB12012,1020315-31-4,PF-04457845,investigational,,,,,,,,ZINC000066111849,CHEMBL1651534,50335377,PF-04457845,,24771824,FC(F)(F)C1=CC=C(OC2=CC=CC(C=C3CCN(CC3)C(=O)NC3=CC=CN=N3)=C2)N=C1,"InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)",BATCTBJIJJEPHM-UHFFFAOYSA-N
DB12013,949904-48-7,Axelopran,investigational,,,,,,,,,CHEMBL3137313,,TD-1211,,,NC(=O)C1=CC=CC(=C1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO,"InChI=1S/C26H39N3O4/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32)/t21-,22+,23-,24-/m0/s1",ATLYLVPZNWDJBW-KIHHCIJBSA-N
DB12014,1167985-17-2,Ozoralizumab,investigational,,,,,,,,,,,,,,,,
DB12015,1217486-61-7,Alpelisib,"['approved', 'investigational']","['24617631', '29109464', '26254025', '28566285', '30167089', '30880072']",L01XX65,,2169285,,1LT,5328,ZINC000068198368,CHEMBL2396661,50436459,VIJOICE,93752,56649450,CC1=C(SC(NC(=O)N2CCC[C@H]2C(N)=O)=N1)C1=CC(=NC=C1)C(C)(C)C(F)(F)F,"InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1",STUWGJZDJHPWGZ-LBPRGKRZSA-N
DB12016,854107-55-4,Ponesimod,"['approved', 'investigational']","['26770667', '25188442']",,,2532300,,,5446,ZINC000034509627,CHEMBL1096146,50316768,PONESIMOD,,,CCC\N=C1/S\C(=C/C2=CC=C(OC[C@H](O)CO)C(Cl)=C2)C(=O)N1C1=CC=CC=C1C,"InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1",LPAUOXUZGSBGDU-STDDISTJSA-N
DB12017,82571-53-7,Ozagrel,investigational,,,,,,,2043,ZINC000000005389,CHEMBL11662,50017896,KCT-0809,134938,5282440,OC(=O)\C=C\C1=CC=C(CN2C=CN=C2)C=C1,"InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+",SHZKQBHERIJWAO-AATRIKPKSA-N
DB12018,1375830-34-4,Ulocuplumab,investigational,,,,,,,,,,,,,,,,
DB12019,333754-36-2,Tesetaxel,investigational,,,,,,,,ZINC000169292819,CHEMBL2107787,,TESETAXEL,,6918574,CN(C)C[C@@H]1O[C@H]2[C@@H](O1)[C@]1(C)CC[C@H]3OC[C@@]3(OC(C)=O)[C@H]1[C@H](OC(=O)C1=CC=CC=C1)[C@]1(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C3=C(F)C=CC=N3)C(C)=C2C1(C)C,"InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1",MODVSQKJJIBWPZ-VLLPJHQWSA-N
DB12020,869572-92-9,Tecovirimat,"['approved', 'investigational']","['20385870', '20191435', '24100494', '29972742', '21837250', '25896687']",J05AX24,,,,,5291,ZINC000035323125,CHEMBL1257073,,ST-246,,16124688,FC(F)(F)C1=CC=C(C=C1)C(=O)NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]2C[C@H]32)C1=O,"InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+",CSKDFZIMJXRJGH-VWLPUNTISA-N
DB12021,779353-01-4,Dinaciclib,investigational,,,,,,,,ZINC000034894449,CHEMBL2103840,50139171,SCH-727965,95060,46926350,CCC1=C2N=C(C=C(NCC3=CC=C[N+]([O-])=C3)N2N=C1)N1CCCC[C@H]1CCO,"InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1",PIMQWRZWLQKKBJ-SFHVURJKSA-N
DB12022,223488-57-1,Evatanepag,investigational,,,,,,GM9,,ZINC000001494905,CHEMBL563646,50293496,"CP-533,536",177472,9890801,CC(C)(C)C1=CC=C(CN(CC2=CC=CC(OCC(O)=O)=C2)S(=O)(=O)C2=CC=CN=C2)C=C1,"InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)",WOHRHWDYFNWPNG-UHFFFAOYSA-N
DB12023,1044511-01-4,Benralizumab,"['approved', 'investigational']","['28913336', '22136436', '28109128', '23866823', '27110133']",R03DX10,,,,,,,,,,,,,,
DB12024,1078166-57-0,PF-04418948,investigational,,,,,,,,ZINC000095644391,CHEMBL3286797,,PF-04418948,,25114442,COC1=CC=C2C=C(OCC3(CN(C3)C(=O)C3=CC=C(F)C=C3)C(O)=O)C=CC2=C1,"InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)",LWJGMYMNSNVCEM-UHFFFAOYSA-N
DB12025,38748-32-2,Triptolide,investigational,,,,,,,,ZINC000008234271,CHEMBL463763,50241049,TRIPTOLIDE,9747,107985,CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O,"InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1",DFBIRQPKNDILPW-CIVMWXNOSA-N
DB12026,1535212-07-7,Voxilaprevir,"['approved', 'investigational']","['28564569', '23463199']",J05AP56,,1939323,,L9P,5242,,CHEMBL4474855,,,,89921642,CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)C1=C(O2)N=C2C=C(OC)C=CC2=N1)C(C)(C)C,"InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1",MZBLZLWXUBZHSL-FZNJKFJKSA-N
DB12027,881202-45-5,Serdemetan,investigational,,,,,,,,ZINC000015965745,CHEMBL2137530,,JNJ-26854165,,11609586,C(CC1=CNC2=CC=CC=C12)NC1=CC=C(NC2=CC=NC=C2)C=C1,"InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)",CEGSUKYESLWKJP-UHFFFAOYSA-N
DB12028,59-14-3,Broxuridine,investigational,,,,,,U33,3042,ZINC000001081243,CHEMBL222280,50207303,BROXURIDINE,472552,6035,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(Br)C(=O)NC1=O,"InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",WOVKYSAHUYNSMH-RRKCRQDMSA-N
DB12029,202650-88-2,Chlorogenic Acid,investigational,,,,1311387,,,,ZINC000002138728,CHEMBL284616,513080,HERIGUARD,16112,1794427,O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",CWVRJTMFETXNAD-JUHZACGLSA-N
DB12030,140616-46-2,Fluorescein lisicol,investigational,,,,,,,,,,,,,76958588,C[C@H](CCC(=O)N[C@@H](CCCCNC(=S)NC1=CC=C(C2C3=CC=C(O)C=C3OC3=C2C=CC(O)=C3)C(=C1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,"InChI=1S/C51H65N3O11S/c1-26(36-14-15-37-46-38(25-43(59)51(36,37)3)50(2)18-17-31(57)20-27(50)21-40(46)58)7-16-44(60)54-39(48(63)64)6-4-5-19-52-49(66)53-28-8-11-32(35(22-28)47(61)62)45-33-12-9-29(55)23-41(33)65-42-24-30(56)10-13-34(42)45/h8-13,22-24,26-27,31,36-40,43,45-46,55-59H,4-7,14-21,25H2,1-3H3,(H,54,60)(H,61,62)(H,63,64)(H2,52,53,66)/t26-,27+,31-,36-,37+,38+,39+,40-,43+,46+,50+,51-/m1/s1",PVZRIVQDZVBHOW-TZCNZRNCSA-N
DB12031,33434-24-1,Ammonio methacrylate copolymer type A,investigational,,,,1424665,,,,,,,,,,,,
DB12032,223445-75-8,Atagabalin,investigational,,,,,,,,,CHEMBL593430,50305887,PD-0200390,177397,9794485,C[C@H]1CC(CN)(CC(O)=O)C[C@@H]1C,"InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1",IUVMAUQEZFTTFB-YUMQZZPRSA-N
DB12034,1043556-46-2,Gantenerumab,investigational,,,,,,,,,,,,,,,,
DB12035,1035654-66-0,Sarecycline,"['approved', 'investigational']","['24002361', '30397052', '30235387', '29537451']","['J01AA20', 'J01AA14']",,2059018,,V7A,5298,ZINC000072319783,CHEMBL2364632,,WC3035,,,[H][C@@]12CC3=C(CN(C)OC)C=CC(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,"InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1",PQJQFLNBMSCUSH-SBAJWEJLSA-N
DB12036,1448232-80-1,Naquotinib,investigational,,,,,,8RC,,ZINC000205341959,CHEMBL3663929,170514,NAQUOTINIB MESYLATE,,71667668,CCC1=C(O[C@@H]2CCN(C2)C(=O)C=C)N=C(NC2=CC=C(C=C2)N2CCC(CC2)N2CCN(C)CC2)C(=N1)C(N)=O,"InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1",QKDCLUARMDUUKN-XMMPIXPASA-N
DB12037,1098189-15-1,Vedroprevir,investigational,,,,,,,,,CHEMBL2013174,50379653,GS-9451,,,CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)OC1=C2C=CC(OCCN3CCOCC3)=C(Cl)C2=NC(=C1)C1=CSC(NC(C)C)=N1)C(O)=O,"InChI=1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28+,29-,33+,38-,45-/m1/s1",OTXAMWFYPMNDME-FQQWJMKMSA-N
DB12038,80449-31-6,Ulinastatin,investigational,,B02AB05,,,,,,,,,,,,,,
DB12039,490-46-0,Epicatechin,investigational,,,,,,28E,,ZINC000000119988,CHEMBL583912,23417,L-EPICATECHIN,90,72276,O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",PFTAWBLQPZVEMU-UKRRQHHQSA-N
DB12040,133978-15-1,2-octyl cyanoacrylate,investigational,,,,2533837,,,,,CHEMBL4297544,,LIQUIBAND,,9815689,CCCCCCC(C)OC(=O)C(=C)C#N,"InChI=1S/C12H19NO2/c1-4-5-6-7-8-11(3)15-12(14)10(2)9-13/h11H,2,4-8H2,1,3H3",CQVWXNBVRLKXPE-UHFFFAOYSA-N
DB12041,887375-26-0,Mapracorat,investigational,,,,,,,,,CHEMBL2103876,,ZK 245186,177650,24795088,CC1=CC=C2C(NC[C@](O)(CC(C)(C)C3=CC(F)=CC4=C3OCC4)C(F)(F)F)=CC=CC2=N1,"InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1",VJGFOYBQOIPQFY-XMMPIXPASA-N
DB12042,522664-63-7,Ibodutant,investigational,,,,,,,,,CHEMBL266125,50476750,IBODUTANT,,11527495,CC1=CC=C2C=C(SC2=C1)C(=O)NC1(CCCC1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC1CCN(CC2CCOCC2)CC1,"InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1",YQYSVMKCMIUCHY-WJOKGBTCSA-N
DB12043,1262873-06-2,Sepetaprost,investigational,,,,,,,,,CHEMBL4297633,,DE-126,,50902259,CC(C)OC(=O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2\C=C\[C@@H](O)COC2=CC(F)=CC=C2F)OC1,"InChI=1S/C26H36F2O6/c1-16(2)34-26(31)5-3-4-17-6-9-21-20(23(30)13-24(21)32-14-17)10-8-19(29)15-33-25-12-18(27)7-11-22(25)28/h7-8,10-12,16-17,19-21,23-24,29-30H,3-6,9,13-15H2,1-2H3/b10-8+/t17-,19+,20+,21+,23+,24-/m0/s1",BKVUSNOUTQMSBE-XCMGCKIWSA-N
DB12044,,MK-0893,investigational,,,,,,5MV,,ZINC000068250425,CHEMBL1933349,50360601,MK-0893,,11570626,COC1=CC2=CC=C(C=C2C=C1)C1=CC(=NN1[C@@H](C)C1=CC=C(C=C1)C(=O)NCCC(O)=O)C1=CC(Cl)=CC(Cl)=C1,"InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1",DNTVJEMGHBIUMW-IBGZPJMESA-N
DB12045,940908-79-2,Mericitabine,investigational,,,,,,,,ZINC000035307932,CHEMBL562967,,"3',5'-DIISOBUTYRYL PSI 6130",,16122663,CC(C)C(=O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C,"InChI=1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1",MLESJYFEMSJZLZ-MAAOGQSESA-N
DB12046,751475-53-3,Atopaxar,investigational,,,,,,,,ZINC000038913962,CHEMBL2103856,50461681,E-5555,177793,10459564,CCOC1=CC2=C(C(=N)N(CC(=O)C3=CC(=C(OC)C(=C3)N3CCOCC3)C(C)(C)C)C2)C(F)=C1OCC,"InChI=1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3",QWKAUGRRIXBIPO-UHFFFAOYSA-N
DB12047,888216-25-9,Ganetespib,investigational,,,,,,TUH,,ZINC000043130413,CHEMBL2103879,50439621,STA-9090,177770,135564985,CC(C)C1=C(O)C=C(O)C(=C1)C1=NNC(=O)N1C1=CC2=C(C=C1)N(C)C=C2,"InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)",RVAQIUULWULRNW-UHFFFAOYSA-N
DB12048,1313725-88-0,Savolitinib,investigational,,,,,,V0L,,ZINC000149738712,CHEMBL3334567,50023342,AZD6094,,68289010,C[C@H](N1N=NC2=NC=C(N=C12)C1=CN(C)N=C1)C1=CN2C=CN=C2C=C1,"InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1",XYDNMOZJKOGZLS-NSHDSACASA-N
DB12049,503291-52-9,Dasolampanel etibutil,investigational,,,,,,,,ZINC000038381027,CHEMBL2107328,,LY545694,,53307207,CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)OC1=CC=CC(Cl)=C1C1=NN=NN1,"InChI=1S/C23H32ClN5O3/c1-3-14(4-2)13-31-23(30)19-11-16-10-17(9-8-15(16)12-25-19)32-20-7-5-6-18(24)21(20)22-26-28-29-27-22/h5-7,14-17,19,25H,3-4,8-13H2,1-2H3,(H,26,27,28,29)/t15-,16+,17-,19-/m0/s1",HPBRMCFZIGUGTK-ZMMAXQRCSA-N
DB12050,1421438-81-4,LY-3039478,investigational,,,,,,,,ZINC000095586643,CHEMBL2338397,,LY-3039478,,71236992,C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C2=CC=CN=C2N(CCO)C1=O,"InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1",YCBAQKQAINQRFW-UGSOOPFHSA-N
DB12051,1071517-39-9,Setrobuvir,investigational,,,,,,,,,CHEMBL1076263,,ANA598,,135565932,CS(=O)(=O)NC1=CC=C2NC(=NS(=O)(=O)C2=C1)C1=C(O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2N(CC2=CC=C(F)C=C2)C1=O,"InChI=1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1",DEKOYVOWOVJMPM-RLHIPHHXSA-N
DB12052,489-32-7,Icariin,investigational,,,,1788871,,,,ZINC000003960893,CHEMBL553204,50027363,ICARIIN,78420,5318997,COC1=CC=C(C=C1)C1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CC=C(C)C)=C2O1,"InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1",TZJALUIVHRYQQB-XLRXWWTNSA-N
DB12053,219716-33-3,Visilizumab,investigational,,,,,,,,,,,,,,,,
DB12054,136553-81-6,BQ-123,investigational,,,,,,,,ZINC000003926620,CHEMBL314691,50197954,,2965,443289,CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(C)C,"InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1",VYCMAAOURFJIHD-PJNXIOHISA-N
DB12055,934017-32-0,MK-0767,investigational,,,,,,,,,CHEMBL4297404,,MK-0767,,56842109,COC1=CC=C(CC2OC(=O)NC2=O)C=C1C(=O)NCC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C20H17F3N2O5/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)",ORZMUVMQJPGFOM-UHFFFAOYSA-N
DB12056,894356-79-7,Trebananib,investigational,,,,,,,,,,,,,,,,
DB12057,610782-82-6,ORM-12741,investigational,,,,,,,,,CHEMBL4297312,,ORM-12741,,71301276,COC[C@@]1(C)CCCN2CCC3=C(OC4=CC=CC=C34)[C@H]12,"InChI=1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1",OCUKPFWNSAAHRP-QZTJIDSGSA-N
DB12058,203191-10-0,Recoflavone,investigational,,,,,,,,,CHEMBL4297606,,RECOFLAVONE,,9952125,COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(OC)C=C(OCC(O)=O)C=C2O1,"InChI=1S/C20H18O8/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23/h4-9H,10H2,1-3H3,(H,22,23)",BCPQOBQIVJZOFL-UHFFFAOYSA-N
DB12059,1127498-03-6,JNJ-40411813,investigational,,,,,,HZR,,ZINC000059047060,CHEMBL3337527,50051408,JNJ-40411813,,25195461,CCCCN1C=CC(N2CCC(CC2)C2=CC=CC=C2)=C(Cl)C1=O,"InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3",HYOGJHCDLQSAHX-UHFFFAOYSA-N
DB12060,925206-65-1,RRx-001,investigational,,,,,,,,ZINC000034805177,CHEMBL3526802,,RRX 001,,15950826,[O-][N+](=O)C1(CN(C1)C(=O)CBr)[N+]([O-])=O,"InChI=1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2",JODKFOVZURLVTG-UHFFFAOYSA-N
DB12061,269718-84-5,Pardoprunox,investigational,"['14619412', '17001660']",,,,,,,ZINC000000008736,CHEMBL2103832,,SLV-308,,6918525,CN1CCN(CC1)C1=C2OC(=O)NC2=CC=C1,"InChI=1S/C12H15N3O2/c1-14-5-7-15(8-6-14)10-4-2-3-9-11(10)17-12(16)13-9/h2-4H,5-8H2,1H3,(H,13,16)",YVPUUUDAZYFFQT-UHFFFAOYSA-N
DB12062,755038-65-4,Volasertib,investigational,,,,,,IBI,,,CHEMBL1233528,50402023,VOLASERTIB,,,CC[C@H]1N(C(C)C)C2=NC(NC3=CC=C(C=C3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)=NC=C2N(C)C1=O,"InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1",SXNJFOWDRLKDSF-STROYTFGSA-N
DB12063,808732-98-1,CERC-301,investigational,,,,,,,,ZINC000006716889,CHEMBL2068839,50385169,CERC-301,,11394238,CC1=CC=C(COC(=O)N2CC[C@H](CNC3=NC=CC=N3)[C@H](F)C2)C=C1,"InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1",RECBFDWSXWAXHY-IAGOWNOFSA-N
DB12064,1025720-94-8,BMS-777607,investigational,,,,,,353,,ZINC000039716080,CHEMBL460702,28031,ASLAN002,91409,24794418,CCOC1=C(C(=O)NC2=CC=C(OC3=C(Cl)C(N)=NC=C3)C(F)=C2)C(=O)N(C=C1)C1=CC=C(F)C=C1,"InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)",VNBRGSXVFBYQNN-UHFFFAOYSA-N
DB12065,1314795-11-3,Radalbuvir,investigational,,,,,,,,ZINC000103267239,CHEMBL3121539,,,,,CC1=CC[C@@H](CC1)C(=O)N([C@H]1CC[C@](O)(CO[C@H]2CCOC2)CC1)C1=C(SC(=C1)C#CC(C)(C)C)C(O)=O,"InChI=1S/C30H41NO6S/c1-20-5-7-21(8-6-20)27(32)31(25-17-24(11-13-29(2,3)4)38-26(25)28(33)34)22-9-14-30(35,15-10-22)19-37-23-12-16-36-18-23/h5,17,21-23,35H,6-10,12,14-16,18-19H2,1-4H3,(H,33,34)/t21-,22-,23-,30+/m0/s1",MUICUPWICXUNRS-GDCCIXDYSA-N
DB12066,566939-85-3,Orteronel,investigational,,,,,,7D6,,ZINC000003943521,CHEMBL1921976,50358201,TAK-700,,9796590,CNC(=O)C1=CC=C2C=C(C=CC2=C1)[C@@]1(O)CCN2C=NC=C12,"InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1",OZPFIJIOIVJZMN-SFHVURJKSA-N
DB12067,343246-73-1,BMS-394136,investigational,,,,,,,,ZINC000035862906,CHEMBL602070,,BMS-394136,,135446049,CC1=C([C@H](N2N=CC=C2N1)C1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCC[C@H]1C1=CC=C(F)C=C1,"InChI=1S/C24H21Cl2FN4O/c1-14-22(24(32)30-12-2-3-20(30)15-4-7-17(27)8-5-15)23(31-21(29-14)10-11-28-31)16-6-9-18(25)19(26)13-16/h4-11,13,20,23,29H,2-3,12H2,1H3/t20-,23+/m0/s1",LADJRPDOKVCQCG-NZQKXSOJSA-N
DB12068,261944-52-9,T-900607,investigational,,,,,,,,,CHEMBL4297440,,T-900607,,9812416,COC1=CC=C(NS(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1NC(N)=O,"InChI=1S/C14H10F5N3O4S/c1-26-7-3-2-5(4-6(7)21-14(20)23)22-27(24,25)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,22H,1H3,(H3,20,21,23)",FSXLOWIFSZNIMV-UHFFFAOYSA-N
DB12069,1001667-23-7,Sovaprevir,investigational,,,,,,,,,CHEMBL2105750,,SOVAPREVIR,177769,53362096,COC1=CC2=NC(=CC(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](CC(=O)N3CCCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)=C2C=C1)C1=CC=CC=C1,"InChI=1S/C43H53N5O8S/c1-6-28-25-43(28,41(52)46-57(53,54)31-16-17-31)45-39(50)36-22-30(26-48(36)40(51)33(42(2,3)4)23-38(49)47-19-11-8-12-20-47)56-37-24-34(27-13-9-7-10-14-27)44-35-21-29(55-5)15-18-32(35)37/h6-7,9-10,13-15,18,21,24,28,30-31,33,36H,1,8,11-12,16-17,19-20,22-23,25-26H2,2-5H3,(H,45,50)(H,46,52)/t28-,30-,33-,36+,43-/m1/s1",MHFMTUBUVQZIRE-WINRQGAFSA-N
DB12070,917389-32-3,Letermovir,"['approved', 'investigational']","['29107686', '26345608', '21752907', '28356534', '28345163']",J05AX18,,1988648,,,5262,ZINC000100369359,CHEMBL1241951,,MK-8228,,45138674,COC1=CC=CC(=C1)N1CCN(CC1)C1=NC2=C(C=CC=C2F)[C@H](CC(O)=O)N1C1=CC(=CC=C1OC)C(F)(F)F,"InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1",FWYSMLBETOMXAG-QHCPKHFHSA-N
DB12071,887258-95-9,Vabicaserin,investigational,,,,,,,,ZINC000030691381,CHEMBL2110670,50076216,SCA-136,,11521822,C1C[C@H]2CN3CCNCC4=C3C(=CC=C4)[C@H]2C1,"InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1",NPTIPEQJIDTVKR-STQMWFEESA-N
DB12072,252916-29-3,Orantinib,investigational,,,,,,SU6,,ZINC000003834032,CHEMBL274654,4811,SU-6668,,5329099,CC1=C(CCC(O)=O)C(C)=C(N1)\C=C1/C(=O)NC2=CC=CC=C12,"InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-",NHFDRBXTEDBWCZ-ZROIWOOFSA-N
DB12073,187949-02-6,Albaconazole,investigational,,,,,,,,ZINC000000602086,CHEMBL298817,50011477,UR-9825,,208952,C[C@@H](N1C=NC2=CC(Cl)=CC=C2C1=O)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F,"InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1",UHIXWHUVLCAJQL-MPBGBICISA-N
DB12074,634907-30-5,Censavudine,investigational,,,,,,,,,CHEMBL124363,,CENSAVUDINE,,3008897,CC1=CN([C@@H]2O[C@](CO)(C=C2)C#C)C(=O)NC1=O,"InChI=1S/C12H12N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h1,4-6,9,15H,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1",OSYWBJSVKUFFSU-SKDRFNHKSA-N
DB12075,166089-33-4,Nagrestipen,investigational,,,,,,,,,,,,,,,,
DB12076,1233389-51-9,Surotomycin,investigational,,,,,,,,,,,,,132472905,CCCCCC1=CC=C(C=C1)C(\C)=C\C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)C2=C(N)C=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)[C@H](C)CC(O)=O,"InChI=1S/C77H101N17O26/c1-6-7-8-14-41-20-22-42(23-21-41)37(2)25-58(98)86-49(27-43-33-81-47-18-12-10-15-44(43)47)71(113)89-50(29-57(80)97)72(114)91-53(32-64(107)108)73(115)94-66-40(5)120-77(119)54(28-56(96)45-16-9-11-17-46(45)79)92-76(118)65(38(3)26-61(101)102)93-74(116)55(36-95)87-60(100)34-82-68(110)51(30-62(103)104)88-67(109)39(4)84-70(112)52(31-63(105)106)90-69(111)48(19-13-24-78)85-59(99)35-83-75(66)117/h9-12,15-18,20-23,25,33,38-40,48-55,65-66,81,95H,6-8,13-14,19,24,26-32,34-36,78-79H2,1-5H3,(H2,80,97)(H,82,110)(H,83,117)(H,84,112)(H,85,99)(H,86,98)(H,87,100)(H,88,109)(H,89,113)(H,90,111)(H,91,114)(H,92,118)(H,93,116)(H,94,115)(H,101,102)(H,103,104)(H,105,106)(H,107,108)/b37-25+/t38-,39-,40-,48+,49+,50-,51+,52+,53+,54+,55-,65+,66+/m1/s1",DYNMYYRPPFVAKR-CWXHRMTKSA-N
DB12077,934823-49-1,Urelumab,investigational,,,,,,,,,,,,,,,,
DB12078,841205-47-8,Enobosarm,investigational,,,D10221,2168587,,RLJ,,ZINC000035793636,CHEMBL1738889,50529668,MK-2866,,11326715,C[C@](O)(COC1=CC=C(C=C1)C#N)C(=O)NC1=CC=C(C#N)C(=C1)C(F)(F)F,"InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1",JNGVJMBLXIUVRD-SFHVURJKSA-N
DB12079,51-77-4,Gefarnate,investigational,,"['A02BX77', 'A02BX07']",,,,,1281,ZINC000003872668,CHEMBL2105085,,GEFARNATE,31646,5282182,[H]\C(CC\C(C)=C(/[H])CCC(=O)OC\C([H])=C(/C)CCC=C(C)C)=C(\C)CCC=C(C)C,"InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+",ZPACYDRSPFRDHO-ROBAGEODSA-N
DB12080,255734-04-4,Ritobegron,investigational,,,,,,,,ZINC000072266295,CHEMBL2107773,,RITOBEGRON,,9820882,C[C@H](NCCC1=C(C)C=C(OCC(O)=O)C(C)=C1)[C@H](O)C1=CC=C(O)C=C1,"InChI=1S/C21H27NO5/c1-13-11-19(27-12-20(24)25)14(2)10-17(13)8-9-22-15(3)21(26)16-4-6-18(23)7-5-16/h4-7,10-11,15,21-23,26H,8-9,12H2,1-3H3,(H,24,25)/t15-,21-/m0/s1",VMMYRRFPMAGXNP-BTYIYWSLSA-N
DB12081,10184-70-0,Anecortave,investigational,,S01LA02,,,,,,ZINC000003927675,CHEMBL2348782,,,177649,7074810,C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,"InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h6,11,15,17,22,25H,3-5,7-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1",BCFCRXOJOFDUMZ-ONKRVSLGSA-N
DB12082,81840-15-5,Vesnarinone,investigational,,,,,,,2817,ZINC000003781942,CHEMBL17423,50016980,VESNARINONE,31237,5663,COC1=C(OC)C=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C2NC(=O)CCC2=C1,"InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)",ZVNYJIZDIRKMBF-UHFFFAOYSA-N
DB12083,88859-04-5,Mafosfamide,investigational,,,,,,,,ZINC000026160335,,,,,76968809,OS(=O)(=O)CCS[C@H]1CCO[P@@](=O)(N1)N(CCCl)CCCl,"InChI=1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)/t9-,19-/m0/s1",PBUUPFTVAPUWDE-UGZDLDLSSA-N
DB12084,897732-93-3,ADP-597,investigational,,,,,,,,ZINC000038256220,CHEMBL1951032,50364559,JNJ-38431055,,11691484,COC1=C(NC2=C(C)N=C(C=C2)S(C)(=O)=O)N=CN=C1OC1CCN(CC1)C(=O)OC(C)C,"InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)",WPDCHTSXOPUOII-UHFFFAOYSA-N
DB12085,1005342-46-0,LCL-161,investigational,,,,,,,,ZINC000095929260,CHEMBL2431768,50441356,LCL 161,,24737642,CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C1=NC(=CS1)C(=O)C1=CC=C(F)C=C1,"InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1",UFPFGVNKHCLJJO-SSKFGXFMSA-N
DB12086,99571-64-9,Oxitropium,investigational,,R03BB02,,32649,,,2022,ZINC000100660065,,,,135418,,CC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,"InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13-,14-,15-,16+,17-,18+,20?/m1/s1",NVOYVOBDTVTBDX-PMEUIYRNSA-N
DB12087,498-00-0,Vanillyl alcohol,investigational,,,,,,,,ZINC000000164388,CHEMBL4297450,,V0018,18353,62348,COC1=C(O)C=CC(CO)=C1,"InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3",ZENOXNGFMSCLLL-UHFFFAOYSA-N
DB12088,147159-51-1,TT-232,investigational,,,,,,,,ZINC000169289417,CHEMBL539934,,TLN-232,,6918265,C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O,"InChI=1S/C45H58N10O9S2/c1-25(56)38(39(48)58)55-45(64)37-24-66-65-23-36(53-40(59)31(47)19-26-9-3-2-4-10-26)44(63)51-34(20-27-14-16-29(57)17-15-27)42(61)52-35(21-28-22-49-32-12-6-5-11-30(28)32)43(62)50-33(41(60)54-37)13-7-8-18-46/h2-6,9-12,14-17,22,25,31,33-38,49,56-57H,7-8,13,18-21,23-24,46-47H2,1H3,(H2,48,58)(H,50,62)(H,51,63)(H,52,61)(H,53,59)(H,54,60)(H,55,64)/t25-,31-,33+,34+,35-,36+,37+,38+/m1/s1",SNAJPQVDGYDQSW-DYCFWDQMSA-N
DB12089,1008106-64-6,Lorvotuzumab mertansine,investigational,,,,,,,,,,,,,,,,
DB12090,1262787-83-6,Patritumab,investigational,,,,,,,,,,,,,,,,
DB12091,7440-54-2,Gadolinium,"['approved', 'investigational']",,,,1310171,,GD,,,,,,33375,23982,[Gd],InChI=1S/Gd,UIWYJDYFSGRHKR-UHFFFAOYSA-N
DB12092,57149-07-2,Naftopidil,investigational,,,,,,,1873,,CHEMBL142635,50773,NAFTOPIDIL,31891,4418,COC1=CC=CC=C1N1CCN(CC(O)COC2=CC=CC3=CC=CC=C23)CC1,"InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3",HRRBJVNMSRJFHQ-UHFFFAOYSA-N
DB12093,483-14-7,Tetrahydropalmatine,investigational,,,,,,,,ZINC000019535049,CHEMBL487182,50424077,TETRAHYDROPALMATINE,16563,72301,COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(OC)C=C34)CC2=C1OC,"InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1",AEQDJSLRWYMAQI-KRWDZBQOSA-N
DB12094,352513-83-8,Semapimod,investigational,,,,,,,,ZINC000072266997,CHEMBL2107779,,SEMAPIMOD,,5745214,C\C(=N/NC(N)=N)C1=CC(=CC(NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)C(\C)=N\NC(N)=N)C(\C)=N\NC(N)=N)=C1)C(\C)=N\NC(N)=N,"InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19+,46-20+,47-21+,48-22+",PWDYHMBTPGXCSN-VCBMUGGBSA-N
DB12095,1033805-22-9,Telotristat ethyl,"['approved', 'investigational']","['27817224', '25012985']",,,1872441,,,5214,ZINC000043205655,CHEMBL2105695,445704,LX 1606,,25181577,CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)C1=NC(N)=NC(O[C@H](C2=CC=C(Cl)C=C2N2C=CC(C)=N2)C(F)(F)F)=C1,"InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1",MDSQOJYHHZBZKA-GBXCKJPGSA-N
DB12096,1301214-47-0,PF-05175157,investigational,,,,,,,,ZINC000117445039,CHEMBL3359265,50034371,PF-05175157,,52934180,CC(C)N1N=CC2=C1C(=O)CC1(CCN(CC1)C(=O)C1=CC=C3N=C(C)NC3=C1)C2,"InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)",BDXXSFOJPYSYOC-UHFFFAOYSA-N
DB12097,1187-00-4,Mannitol busulfan,"['approved', 'investigational']",,,,,,,,ZINC000008214535,,,,,142775,CS(=O)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COS(C)(=O)=O,"InChI=1S/C8H18O10S2/c1-19(13,14)17-3-5(9)7(11)8(12)6(10)4-18-20(2,15)16/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1",ODOISJJCWUVNDJ-WCTZXXKLSA-N
DB12098,66514-99-6,L-Baclofen,investigational,,,,,,,,ZINC000000085733,CHEMBL302213,50032963,,,6923772,NC[C@@H](CC(O)=O)C1=CC=C(Cl)C=C1,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1",KPYSYYIEGFHWSV-MRVPVSSYSA-N
DB12099,400044-47-5,"UK-396,082",investigational,,,,,,720,,ZINC000001910640,CHEMBL398110,50226610,"UK-396,082",,11241908,[H][C@](CCCN)(CC1=CN(CCC)C=N1)C(O)=O,"InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1",OTDGPKRCQXSTPV-JTQLQIEISA-N
DB12100,915133-65-2,Abediterol,investigational,,,,,,,,ZINC000043150941,CHEMBL3039530,,ABEDITEROL,142077,11962616,O[C@@H](CNCCCCCCOCC(F)(F)C1=CC=CC=C1)C1=C2C=CC(=O)NC2=C(O)C=C1,"InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1",SFYAXIFVXBKRPK-QFIPXVFZSA-N
DB12101,1323403-33-3,CC-220,investigational,,,,,,8W7,,ZINC000118417658,CHEMBL3989927,65497,CC-220,,67335295,O=C1N(CC2=C1C=CC=C2OCC1=CC=C(CN2CCOCC2)C=C1)[C@H]1CCC(=O)NC1=O,"InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1",IXZOHGPZAQLIBH-NRFANRHFSA-N
DB12102,902141-80-4,Fulranumab,investigational,,,,,,,,,,,,,,,,
DB12104,1359940-55-8,Tarextumab,investigational,,,,,,,,,,,,,,,,
DB12105,610300-07-7,Imagabalin,investigational,,,,,,,,,CHEMBL2103836,,PF-00195889,,10236037,CCC[C@@H](C)C[C@H](N)CC(O)=O,"InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1",JXEHXYFSIOYTAH-SFYZADRCSA-N
DB12106,1449473-97-5,PF-06305591,investigational,,,,,,,,ZINC000143812640,CHEMBL4297317,50507839,PF-06305591,,71666749,C[C@H]([C@H](N)C1=NC2=CC=C(C=C2N1)C(C)(C)C)C(N)=O,"InChI=1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)/t8-,12+/m1/s1",APWZIFIAVVFPNT-PELKAZGASA-N
DB12107,1360457-46-0,Vaborbactam,"['approved', 'investigational']","['28848018', '27527080', '27381386']",J01DH52,,1945213,,4D6,5253,,CHEMBL3317857,50089084,RPX7009,,56649692,OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)CC1=CC=CS1,"InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1",IOOWNWLVCOUUEX-WPRPVWTQSA-N
DB12108,1282512-48-4,Taselisib,investigational,,,,,PA166163227,799,,ZINC000068267049,CHEMBL2387080,50434806,TASELISIB,,51001932,CC(C)N1N=C(C)N=C1C1=CN2CCOC3=CC(=CC=C3C2=N1)C1=CN(N=C1)C(C)(C)C(N)=O,"InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)",BEUQXVWXFDOSAQ-UHFFFAOYSA-N
DB12109,95809-78-2,CPI-613,investigational,,,,,,,,,CHEMBL3186849,,CPI 613,,24770514,OC(=O)CCCCC(CCSCC1=CC=CC=C1)SCC1=CC=CC=C1,"InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)",ZYRLHJIMTROTBO-UHFFFAOYSA-N
DB12110,6640-24-0,m-Chlorophenylpiperazine,investigational,,,,,,,,ZINC000000004285,CHEMBL478,50001915,,10588,1355,ClC1=CC(=CC=C1)N1CCNCC1,"InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2",VHFVKMTVMIZMIK-UHFFFAOYSA-N
DB12111,64022-27-1,MK-212,investigational,,,,,,,,ZINC000001571800,CHEMBL269521,50017452,,92360,107992,ClC1=NC(=CN=C1)N1CCNCC1,"InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2",CJAWPFJGFFNXQI-UHFFFAOYSA-N
DB12112,29584-22-3,Zuretinol acetate,investigational,,,,,,,,ZINC000014685555,CHEMBL4297637,,QLT-091001,,10245972,CC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+",QGNJRVVDBSJHIZ-AQDFTDIISA-N
DB12113,724424-43-5,CE-224535,investigational,,,,,,,,,CHEMBL1823817,50352039,CE 224535,,11547499,COC[C@H](O)CN1C(=O)C=NN(C1=O)C1=CC=C(Cl)C(=C1)C(=O)NCC1(O)CCCCCC1,"InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1",FUCKCIVGBCBZNP-MRXNPFEDSA-N
DB12114,1092364-38-9,Poziotinib,investigational,,,,,,,,ZINC000095930125,CHEMBL3545154,50468247,HM-781-36,,25127713,COC1=C(OC2CCN(CC2)C(=O)C=C)C=C2C(NC3=CC=C(Cl)C(Cl)=C3F)=NC=NC2=C1,"InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)",LPFWVDIFUFFKJU-UHFFFAOYSA-N
DB12115,1034978-04-5,AZD-9164,investigational,,,,,,,,ZINC000043196332,CHEMBL1921904,50419505,AZD 9164,,44517831,C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCC3=CC=C(F)C=C3)CCC1CC2)C1=CC=CC=C1,"InChI=1S/C29H38FN2O2/c1-29(25-8-4-2-5-9-25,31-17-6-3-7-18-31)28(33)34-27-22-32(20-15-24(27)16-21-32)19-14-23-10-12-26(30)13-11-23/h2,4-5,8-13,24,27H,3,6-7,14-22H2,1H3/q+1/t24?,27-,29-,32?/m0/s1",FNYFFCOCVNTJCD-NNMXADRKSA-N
DB12116,989-51-5,Epigallocatechin gallate,investigational,,,,24246,,KDH,,ZINC000003870412,CHEMBL297453,50070942,,4806,65064,OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",WMBWREPUVVBILR-WIYYLYMNSA-N
DB12117,107465-03-2,Mitometh,investigational,,,,,,,,,,,,,129873,CC(Cl)(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl,"InChI=1S/C15H12Cl4/c1-15(18,19)14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)17/h2-9,14H,1H3",MOTIYCLHZZLHHQ-UHFFFAOYSA-N
DB12118,1001080-50-7,Sotatercept,investigational,,,,,,,,,,,,,,,,
DB12119,1129435-60-4,Gevokizumab,investigational,,,,,,,,,,,,,,,,
DB12120,918407-35-9,Avoralstat,investigational,,,,,,DJY,,,CHEMBL4297502,,BCX-4161,,86566678,COC1=CC(=C(C=C1C=C)C(=O)NC1=CC=C(C=C1)C(N)=N)C1=CC=C(N=C1C(O)=O)C(=O)NCC1CC1,"InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)",TUWMKPVJGGWGNL-UHFFFAOYSA-N
DB12121,1229208-44-9,Entospletinib,investigational,,,,,,CG9,,ZINC000098208742,CHEMBL3265032,50015448,SYK INHIBITOR GS-9973,,59473233,C1CN(CCO1)C1=CC=C(NC2=NC(=CN3C=CN=C23)C2=CC3=C(C=NN3)C=C2)C=C1,"InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)",XSMSNFMDVXXHGJ-UHFFFAOYSA-N
DB12122,502422-74-4,Figopitant,investigational,,,,,,,,ZINC000034026954,CHEMBL2104927,,BIIF-1149 BS,,9914857,CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H](N1CCN(CC2CC2)CC1)C1=CC=CC=C1,"InChI=1S/C27H31F6N3O/c1-34(10-9-20-15-22(26(28,29)30)17-23(16-20)27(31,32)33)25(37)24(21-5-3-2-4-6-21)36-13-11-35(12-14-36)18-19-7-8-19/h2-6,15-17,19,24H,7-14,18H2,1H3/t24-/m0/s1",HUTHJVYJUPXHDF-DEOSSOPVSA-N
DB12123,23887-46-9,Cinepazide,investigational,,C04AX27,,,,,651,ZINC000036379005,CHEMBL1874750,,MD 67350 FREE BASE,135676,5282459,COC1=CC(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)=CC(OC)=C1OC,"InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+",RCUDFXMNPQNBDU-VOTSOKGWSA-N
DB12124,372105-27-6,Namitecan,investigational,,,,,,,,ZINC000026976815,CHEMBL419186,,,,10950142,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3\C=N\OCCN)C2=O,"InChI=1S/C23H22N4O5/c1-2-23(30)17-9-19-20-15(11-27(19)21(28)16(17)12-31-22(23)29)14(10-25-32-8-7-24)13-5-3-4-6-18(13)26-20/h3-6,9-10,30H,2,7-8,11-12,24H2,1H3/b25-10+/t23-/m0/s1",IBTISPLPBBHVSU-UVOOVGFISA-N
DB12125,292634-27-6,Dianicline,investigational,,,,,,,,ZINC000003966685,CHEMBL187927,50170601,SSR-591813,,10176764,C1C[C@@]23C[N@@]1CC[C@@H]2OC1=C(C3)N=CC=C1,"InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1",SUPRUPHAEXPGPF-QWHCGFSZSA-N
DB12126,58-82-2,Bradykinin,investigational,,,,,PA166109574,,,,CHEMBL406291,50049949,BRS-640,3165,439201,N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1",QXZGBUJJYSLZLT-FDISYFBBSA-N
DB12127,76497-13-7,Sultamicillin,"['approved', 'investigational']",,"['J01CR04', 'J01CR50']",,,,,2539,ZINC000042834847,CHEMBL506110,,SULTAMICILLIN,51770,444022,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@@]2([H])S(=O)(=O)C1(C)C,"InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/t14-,15-,16-,17+,18+,21-/m1/s1",OPYGFNJSCUDTBT-PMLPCWDUSA-N
DB12128,842131-33-3,Ulimorelin,investigational,17436082,,,,,,,,CHEMBL1963249,50359256,ULIMORELIN,177725,11526696,C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)NCCCC2=CC=CC=C2O1,"InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1",WGYPAJVJMXQXTR-ABNZCKJZSA-N
DB12129,865854-05-3,Tideglusib,"['withdrawn', 'investigational']","['17522320', '22102280', '28968964', '21760986', '28067250']",,,,,,,ZINC000013985228,CHEMBL3545157,50166940,NP-12,147398,11313622,O=C1SN(C(=O)N1CC1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1,"InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2",PMJIHLSCWIDGMD-UHFFFAOYSA-N
DB12130,1454846-35-5,Lorlatinib,"['approved', 'investigational']","['27401797', '28122866', '29101158', '25914136', '30413381', '26698910', '18097461', '29067878', '29074098']",L01XE44,,2103164,,5P8,5302,ZINC000098208524,CHEMBL3286830,50018830,LORLATINIB,143117,71731823,C[C@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2,"InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1",IIXWYSCJSQVBQM-LLVKDONJSA-N
DB12131,42971-09-5,Vinpocetine,investigational,,N06BX18,,24506,,,2828,ZINC000019796031,CHEMBL71752,50059033,VINPOCETINE,32297,443955,[H][C@]12N3CCC[C@@]1(CC)C=C(N1C4=CC=CC=C4C(CC3)=C21)C(=O)OCC,"InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1",DDNCQMVWWZOMLN-IRLDBZIGSA-N
DB12132,886584-10-7,Vanutide cridificar,investigational,,,,,,,,,,,,,,,,
DB12133,864516-86-9,BLXA4,investigational,,,,,,,,,CHEMBL4297266,,BLXA4,,58185197,CCCCC[C@@H](O)\C=C\C1=CC=CC=C1\C=C\[C@@H](O)[C@@H](O)CCCC(O)=O,"InChI=1S/C22H32O5/c1-2-3-4-10-19(23)15-13-17-8-5-6-9-18(17)14-16-21(25)20(24)11-7-12-22(26)27/h5-6,8-9,13-16,19-21,23-25H,2-4,7,10-12H2,1H3,(H,26,27)/b15-13+,16-14+/t19-,20+,21-/m1/s1",HEDVTGFTYROYFE-RREUNBNVSA-N
DB12134,1075236-89-3,Gepotidacin,investigational,,,,,,JHN,,,CHEMBL3317856,50050549,GEPOTIDACIN MESYLATE,,25101874,O=C1C=CC2=C3N1C[C@@H](CN1CCC(CC1)NCC1=CC4=C(OCCC4)C=N1)N3C(=O)C=N2,"InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1",PZFAZQUREQIODZ-LJQANCHMSA-N
DB12135,688763-64-6,Elubrixin,investigational,,,,,,,,,CHEMBL2178579,50398333,SB656933,,10479502,OC1=C(C(Cl)=CC=C1NC(=O)NC1=C(Cl)C(F)=CC=C1)S(=O)(=O)N1CCNCC1,"InChI=1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)",YQYFEGTYCUQBEI-UHFFFAOYSA-N
DB12136,259206-53-6,Solnatide,investigational,,,,,,,,,,,,,,,,
DB12137,801312-28-7,GSK-256066,investigational,,,,,,066,,ZINC000006717510,CHEMBL570015,50415001,GSK-256066,,9827968,COC1=CC=CC(NC2=C(C=NC3=C(C)C=C(C=C23)S(=O)(=O)C2=CC(=CC=C2)C(=O)N(C)C)C(N)=O)=C1,"InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)",JFHROPTYMMSOLG-UHFFFAOYSA-N
DB12138,1056164-52-3,PF-03715455,investigational,,,,,,YIS,,,CHEMBL1938400,50361467,PF-03715455,,11714580,CC(C)(C)C1=NN(C(NC(=O)NCC2=CC=CC=C2SC2=CN3C(C=C2)=NN=C3C2=CC=CC=C2SCCO)=C1)C1=CC=C(O)C(Cl)=C1,"InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)",VGEXRDWWPSGZDH-UHFFFAOYSA-N
DB12139,254435-95-5,Alisporivir,investigational,,,,,,,,,CHEMBL1651956,50339127,ALISPORIVIR,149837,11513676,CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C,"InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1",OLROWHGDTNFZBH-XEMWPYQTSA-N
DB12140,444606-18-2,Dilmapimod,investigational,"['17720847', '15289440']",,,,,,,ZINC000034997404,CHEMBL2103838,,DILMAPIMOD,,10297982,CC1=CC(F)=CC=C1C1=C2C=CC(=O)N(C2=NC(NC(CO)CO)=N1)C1=C(F)C=CC=C1F,"InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)",ORVNHOYNEHYKJG-UHFFFAOYSA-N
DB12141,1254053-43-4,Gilteritinib,"['approved', 'investigational']","['27908881', '28000291', '26279055', '28516360', '30466756', '27775694']",L01XE54,,2105806,,C6F,5306,ZINC000113476229,CHEMBL3301622,144315,GILTERITINIB,145372,49803313,CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O,"InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)",GYQYAJJFPNQOOW-UHFFFAOYSA-N
DB12142,1314238-96-4,Duligotuzumab,investigational,,,,,,,,,,,,,,,,
DB12143,847829-38-3,Rezatomidine,investigational,,,,,,,,,CHEMBL2107366,,AGN-203818,,11287722,C[C@H](C1=CNC(=S)N1)C1=C(C)C(C)=CC=C1,"InChI=1S/C13H16N2S/c1-8-5-4-6-11(9(8)2)10(3)12-7-14-13(16)15-12/h4-7,10H,1-3H3,(H2,14,15,16)/t10-/m0/s1",WQXVKEDUCPMRRI-JTQLQIEISA-N
DB12144,355113-98-3,BMS-275183,investigational,,,,,,,,,CHEMBL4297268,,BMS 275183,,6918594,COC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)C2=CC=CC=C2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(C)=C([C@@H](OC(C)=O)C1=O)C2(C)C,"InChI=1S/C43H59NO16/c1-21-24(57-35(50)28(47)31(38(3,4)5)44-36(51)59-39(6,7)8)19-43(53)33(58-34(49)23-16-14-13-15-17-23)30-41(11,32(48)29(56-22(2)45)27(21)40(43,9)10)25(46)18-26-42(30,20-55-26)60-37(52)54-12/h13-17,24-26,28-31,33,46-47,53H,18-20H2,1-12H3,(H,44,51)/t24-,25-,26+,28+,29+,30-,31+,33-,41+,42-,43+/m0/s1",AHXICHPPXIGCBN-GPWPDEGDSA-N
DB12145,220099-91-2,AZD-0328,investigational,,,,,,,,ZINC000033961869,CHEMBL2151437,50393243,AZD 0328,,9794392,C1C2=C(O[C@]11CN3CCC1CC3)N=CC=C2,"InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1",OCKIPDMKGPYYJS-ZDUSSCGKSA-N
DB12146,592542-59-1,Rigosertib,investigational,,,,,,6FS,,ZINC000003942646,CHEMBL1241855,50060917,ON 01910.NA,145417,6918736,COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(NCC(O)=O)=C2)C(OC)=C1,"InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+",OWBFCJROIKNMGD-BQYQJAHWSA-N
DB12147,1346242-81-6,Erdafitinib,"['approved', 'investigational']","['26324363', '28341788', '28965185']",,,2123125,,5SF,5327,ZINC000168520308,CHEMBL3545376,50525939,ERDAFITINIB,,67462786,COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1,"InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3",OLAHOMJCDNXHFI-UHFFFAOYSA-N
DB12148,863-61-6,Menatetrenone,investigational,,,,29495,,,1685,ZINC000003874199,CHEMBL259223,,MENAQUINONE-4,78277,5282367,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C,"InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+",DKHGMERMDICWDU-GHDNBGIDSA-N
DB12149,203640-27-1,S-3304,investigational,,,,,,,,,CHEMBL297792,50063129,S 3304,,10718956,CC1=CC=C(C=C1)C#CC1=CC=C(S1)S(=O)(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1",YWCLDDLVLSQGSZ-JOCHJYFZSA-N
DB12150,69956-77-0,Pelubiprofen,investigational,,,,,,,,,CHEMBL69308,,CS-670,,5282203,[H]\C(C1=CC=C(C=C1)C(C)C(O)=O)=C1\CCCCC1=O,"InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+",AUZUGWXLBGZUPP-GXDHUFHOSA-N
DB12151,444805-28-1,Brincidofovir,"['approved', 'investigational']","['21994617', '31932370', '22391537', '27851688', '17724153', '17904231']",,,,,,,ZINC000014141521,CHEMBL203321,,CMX001,,483477,CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](CO)CN1C=CC(N)=NC1=O,"InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1",WXJFKKQWPMNTIM-VWLOTQADSA-N
DB12152,1318075-13-6,Simtuzumab,investigational,,,,,,,,,,,,,,,,
DB12153,987-78-0,Citicoline,"['experimental', 'approved']",,N06BX06,D00057,997602,,CDC,664,,CHEMBL1231700,,CITICOLINE,16436,13804,C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1",RZZPDXZPRHQOCG-OJAKKHQRSA-N
DB12154,1334298-90-6,Itacitinib,investigational,,,,,,,,ZINC000118795962,CHEMBL3622820,246868,INCB-039110 ADIPATE,,53380437,FC1=C(N=CC=C1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1)C(F)(F)F,"InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)",KTBSXLIQKWEBRB-UHFFFAOYSA-N
DB12155,83280-65-3,Napabucasin,investigational,,,,,,,,ZINC000013306865,CHEMBL64130,50366597,BBI-608,,10331844,CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O,"InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3",DPHUWDIXHNQOSY-UHFFFAOYSA-N
DB12156,73-03-0,Cordycepin,investigational,,,,1989289,,3AD,,ZINC000001319796,CHEMBL305686,50144950,NSC-63984,29014,6303,[H][C@@]1(CO)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12,"InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1",OFEZSBMBBKLLBJ-BAJZRUMYSA-N
DB12157,1190239-42-9,Fasinumab,investigational,"['34234542', '33293475', '23028238', '33459118']",,,,,,,,,,,,,,,
DB12158,1088991-73-4,Filorexant,investigational,,,,,,NT5,,ZINC000043201232,CHEMBL2107822,104692,MK-6096,,25128145,C[C@@H]1CC[C@@H](COC2=CC=C(F)C=N2)CN1C(=O)C1=CC(C)=CC=C1C1=NC=CC=N1,"InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1",NPFDWHQSDBWQLH-QZTJIDSGSA-N
DB12159,1190264-60-8,Dupilumab,"['approved', 'investigational']","['29939132', '30186024', '29176972', '30027349', '29498038', '23688323']",D11AH05,,1876376,,,,,,,,,,,,
DB12160,65002-17-7,Bucillamine,investigational,,M01CC02,,,PA166123566,,414,ZINC000000020222,CHEMBL80830,50406934,BUCILLAMINE,31312,656604,CC(C)(S)C(=O)N[C@@H](CS)C(O)=O,"InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1",VUAFHZCUKUDDBC-BYPYZUCNSA-N
DB12161,1392826-25-3,Deutetrabenazine,"['approved', 'investigational']","['20135628', '28387387', '28446646', '27380342', '28920068', '28668671']",,,1876905,,,5226,,,,,,73442840,[2H]C([2H])([2H])OC1=CC2=C(C=C1OC([2H])([2H])[2H])[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1/i3D3,4D3",MKJIEFSOBYUXJB-WEZHFFAMSA-N
DB12162,148081-72-5,HX-1171,investigational,,,,,,,,ZINC000001538784,CHEMBL3182532,,HX-1171,,119193,CCCCCCOC1=CC(C)=C(O)C(C)=C1C,"InChI=1S/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3",ATMNQRRJNBCQJO-UHFFFAOYSA-N
DB12163,125926-17-2,Sarpogrelate,investigational,,,,,,,2423,,CHEMBL52939,50093789,SARPOGRELATE,135697,5160,COC1=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=CC=C1,"InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)",FFYNAVGJSYHHFO-UHFFFAOYSA-N
DB12165,1353625-73-6,Presatovir,investigational,,,,,,,,ZINC000147513579,CHEMBL3410450,50541849,PRESATOVIR,,58029842,CC1=CN2N=C(C=C2N=C1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)C1=CC(Cl)=CC=C1NS(C)(=O)=O,"InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1",GOFXWTVKPWJNGD-UWJYYQICSA-N
DB12167,1386874-06-1,LY-3023414,investigational,,,,,,,,ZINC000143116580,CHEMBL4297181,,LY-3023414,,57519748,CO[C@@H](C)CN1C(=O)N(C)C2=C1C1=CC(=CC=C1N=C2)C1=CC(=CN=C1)C(C)(C)O,"InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1",ACCFLVVUVBJNGT-AWEZNQCLSA-N
DB12168,328232-95-7,MK-0557,investigational,,,,,,,,,CHEMBL595573,50304300,MK-0557,,,FC1=C(C=CC=C1)N1C=CC(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)C2=C3C=NC=C2)=N1,"InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)/t14-,22-",RMYZIRFUCOMQRH-CAJLXGCNSA-N
DB12169,1044515-88-9,Tralokinumab,"['approved', 'investigational']","['29906525', '30641038', '31509236', '33459118']",,,,,,,,,,,,,,,
DB12170,1093130-72-3,Veledimex,investigational,,,,,,,,,CHEMBL3039523,,INXN-1001,,57751161,CCC[C@@H](N(NC(=O)C1=CC=CC(OC)=C1CC)C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C,"InChI=1S/C27H38N2O3/c1-9-12-24(27(5,6)7)29(26(31)20-16-18(3)15-19(4)17-20)28-25(30)22-13-11-14-23(32-8)21(22)10-2/h11,13-17,24H,9-10,12H2,1-8H3,(H,28,30)/t24-/m1/s1",LZWZPGLVHLSWQX-XMMPIXPASA-N
DB12171,1415935-22-6,ATU-027,investigational,,,,,,,,,,,,,,,,
DB12172,6506-37-2,Nimorazole,investigational,,P01AB06,,7427,,,1938,ZINC000026167988,CHEMBL435966,,K-1900,134929,23009,O=N(=O)C1=CN=CN1CCN1CCOCC1,"InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2",MDJFHRLTPRPZLY-UHFFFAOYSA-N
DB12173,886-38-4,Diphencyprone,investigational,,,,,,,,ZINC000001020197,CHEMBL1373467,,,53074,65057,O=C1C(=C1C1=CC=CC=C1)C1=CC=CC=C1,InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H,HCIBTBXNLVOFER-UHFFFAOYSA-N
DB12174,1012054-59-9,CUDC-101,investigational,,,,,,,,ZINC000043196377,CHEMBL598797,50307768,CUDC 101,,24756910,COC1=C(OCCCCCCC(=O)NO)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1,"InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)",PLIVFNIUGLLCEK-UHFFFAOYSA-N
DB12176,538-23-8,Tricaprylin,investigational,,,,1314420,,,,ZINC000008214697,CHEMBL1406148,,GLYCERYL TRICAPRYLATE,76978,10850,[H]C(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)OC(=O)CCCCCCC,"InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3",VLPFTAMPNXLGLX-UHFFFAOYSA-N
DB12177,130579-75-8,Eplivanserin,investigational,,,,,,,,ZINC000001886642,CHEMBL257704,,SR-46349,,135456190,CN(C)CCO\N=C(\C=C\C1=CC=C(O)C=C1)/C1=CC=CC=C1F,"InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-",VAIOZOCLKVMIMN-PRJWTAEASA-N
DB12178,143224-34-4,Telinavir,investigational,,,,,,,,,CHEMBL322241,50526874,SC-52151,177730,382974,CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=CC=C2C=CC=CC2=N1)C(=O)NC(C)(C)C,"InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1",ZILOOGIOHVCEKS-HZFUHODCSA-N
DB12179,29388-59-8,Secoisolariciresinol,investigational,,,,,,GO6,,ZINC000002020114,CHEMBL368347,50240914,,65004,65373,COC1=C(O)C=CC(C[C@@H](CO)[C@H](CO)CC2=CC(OC)=C(O)C=C2)=C1,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",PUETUDUXMCLALY-HOTGVXAUSA-N
DB12180,1032754-93-0,Apitolisib,investigational,,,,,,980,,ZINC000059224388,CHEMBL1922094,50358204,APITOLISIB,,25254071,C[C@H](O)C(=O)N1CCN(CC2=C(C)C3=NC(=NC(N4CCOCC4)=C3S2)C2=CN=C(N)N=C2)CC1,"InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1",YOVVNQKCSKSHKT-HNNXBMFYSA-N
DB12181,211513-37-0,Dalcetrapib,investigational,,,,,PA166131581,,,ZINC000003976476,CHEMBL313006,50092197,DALCETRAPIB,95001,6918540,CCC(CC)CC1(CCCCC1)C(=O)NC1=CC=CC=C1SC(=O)C(C)C,"InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)",YZQLWPMZQVHJED-UHFFFAOYSA-N
DB12182,207137-56-2,Binetrakin,investigational,,,,1426682,,,,,,,,,,,,
DB12183,848942-61-0,Sapitinib,investigational,,,,,,,,ZINC000034587071,CHEMBL2408045,50437353,AZD8931,132986,11488320,CNC(=O)CN1CCC(CC1)OC1=C(OC)C=C2N=CN=C(NC3=CC=CC(Cl)=C3F)C2=C1,"InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)",DFJSJLGUIXFDJP-UHFFFAOYSA-N
DB12184,83928-76-1,Gepirone,investigational,,N06AX19,,,,,4562,ZINC000002021499,CHEMBL284092,50005132,GEPIRONE,135990,55191,CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1,"InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3",QOIGKGMMAGJZNZ-UHFFFAOYSA-N
DB12185,171335-80-1,Exatecan,investigational,,,,,,,1120,ZINC000003800855,CHEMBL1614650,,EXATECAN MESYLATE,135709,151115,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(F)C(C)=C4CC[C@H](N)C3=C14)C2=O,"InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1",ZVYVPGLRVWUPMP-FYSMJZIKSA-N
DB12186,1093403-33-8,SRT-2104,investigational,,,,,,,,ZINC000043202455,CHEMBL4297436,,SRT2104,,25108829,CC1=C(SC(=N1)C1=CC=CN=C1)C(=O)NC1=CC=CC=C1C1=CN2C(CN3CCOCC3)=CSC2=N1,"InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)",LAMQVIQMVKWXOC-UHFFFAOYSA-N
DB12187,1446418-48-9,Abacavir hydroxyacetate,investigational,,,,,,,,,CHEMBL4297418,,,,71605071,NC1=NC(NC2CC2)=C2N=CN([C@@H]3C[C@H](COC(=O)CO)C=C3)C2=N1,"InChI=1S/C16H20N6O3/c17-16-20-14(19-10-2-3-10)13-15(21-16)22(8-18-13)11-4-1-9(5-11)7-25-12(24)6-23/h1,4,8-11,23H,2-3,5-7H2,(H3,17,19,20,21)/t9-,11+/m1/s1",ZBBZROWQLKCFQK-KOLCDFICSA-N
DB12188,170381-16-5,Zicronapine,investigational,,,,,,,,,CHEMBL3039528,,LU-31-130,177409,11465618,CN1CCN(CC1(C)C)[C@@H]1C[C@H](C2=C1C=C(Cl)C=C2)C1=CC=CC=C1,"InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1",BYPMJBXPNZMNQD-PZJWPPBQSA-N
DB12189,1044758-60-2,Etrolizumab,investigational,,,,,,,,,,,,,,,,
DB12190,106560-14-9,Faropenem,investigational,,J01DI03,,,,FPM,1131,ZINC000003959242,CHEMBL556262,50483324,FAROPENEM,51257,65894,[H][C@]12SC([C@H]3CCCO3)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(O)=O,"InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1",HGGAKXAHAYOLDJ-FHZUQPTBSA-N
DB12191,803712-67-6,Obatoclax,investigational,,,,,,,,ZINC000029052268,CHEMBL408194,50376902,GX15-070,,,COC1=CC(=N\C1=C/C1=C(C)C=C(C)N1)C1=CC2=CC=CC=C2N1,"InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10-",RFTSSZJZXOSICM-GRSHGNNSSA-N
DB12192,351994-94-0,Emeramide,investigational,,,,,,,,,CHEMBL4297510,,EMERAMIDE,,21133161,SCCNC(=O)C1=CC(=CC=C1)C(=O)NCCS,"InChI=1S/C12H16N2O2S2/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16)",JUTBAVRYDAKVGQ-UHFFFAOYSA-N
DB12193,137945-48-3,Ajulemic acid,investigational,,,,,,AJA,,ZINC000001905712,CHEMBL456341,50005920,CPL7075,,3083542,[H][C@@]12CC(=CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC)C(O)=O,"InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1",YCHYFHOSGQABSW-RTBURBONSA-N
DB12194,96301-34-7,Atamestane,investigational,,,,,,,,ZINC000004214890,CHEMBL2105987,,ATAMESTANE,,57050,CC1=CC(=O)C=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C,"InChI=1S/C20H26O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10-11,15-17H,4-9H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1",PEPMWUSGRKINHX-TXTPUJOMSA-N
DB12195,235106-62-4,VP-14637,investigational,,,,,,,,,CHEMBL4297402,,VP-14637,,135565536,CC1=NN=NN1N=CC1=CC=C(O)C(=C1)C(C1=CC=C(O)C=C1)C1=CC(C=NN2N=NN=C2C)=CC=C1O,"InChI=1S/C25H22N10O3/c1-15-28-30-32-34(15)26-13-17-3-9-23(37)21(11-17)25(19-5-7-20(36)8-6-19)22-12-18(4-10-24(22)38)14-27-35-16(2)29-31-33-35/h3-14,25,36-38H,1-2H3",BLUJRJMLDHEMRX-UHFFFAOYSA-N
DB12196,519052-02-9,CP-866087,investigational,,,,,,,,ZINC000169323664,CHEMBL3219616,,"CP-866,087",,,CC[C@]1([C@H]2CN(CC3(O)CC4=CC=CC=C4C3)C[C@@H]12)C1=CC=CC(NS(C)(=O)=O)=C1,"InChI=1S/C24H30N2O3S/c1-3-24(19-9-6-10-20(11-19)25-30(2,28)29)21-14-26(15-22(21)24)16-23(27)12-17-7-4-5-8-18(17)13-23/h4-11,21-22,25,27H,3,12-16H2,1-2H3/t21-,22+,24+",ZBVPUFSKFGYNLC-FIDNPTQWSA-N
DB12197,846056-87-9,Auriclosene,investigational,,,,,,,,,CHEMBL1207907,,AL-46383A,,11708365,CC(C)(CS(O)(=O)=O)N(Cl)Cl,"InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)",QYNRGGHZWCUZLK-UHFFFAOYSA-N
DB12198,1044535-58-1,Fosdagrocorat,investigational,,,,,,,,,CHEMBL3137316,140010,FOSDAGROCORAT,,24872952,[H][C@]12CCC3=C(C=CC(=C3)C(=O)NC3=C(C)N=CC=C3)[C@]1(CC1=CC=CC=C1)CC[C@](C2)(OP(O)(O)=O)C(F)(F)F,"InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1",BVXLAHSJXXSWFF-KEKPKEOLSA-N
DB12199,1234510-46-3,TRV-120027,investigational,,,,,,,,,CHEMBL4297447,,TRV-027,,3082475,[H][C@](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(O)=O,"InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25+,29-,30-,31-,32-,34-,35-/m0/s1",XIEWFECSPPTVQN-KMIMAYJXSA-N
DB12200,905854-02-6,Tivantinib,investigational,,,,,,TIV,,ZINC000100016063,CHEMBL2103882,50146168,ARQ-197,91398,11494412,O=C1NC(=O)[C@H]([C@@H]1C1=CNC2=CC=CC=C12)C1=CN2CCCC3=C2C1=CC=C3,"InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1",UCEQXRCJXIVODC-PMACEKPBSA-N
DB12201,935840-31-6,PF-03654746,investigational,,,,,,,,ZINC000100001877,CHEMBL2151197,50401003,PF-03654746,,,CCNC(=O)[C@H]1C[C@](F)(C1)C1=CC(F)=C(CN2CCCC2)C=C1,"InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-",SXMBKHYDZOCBMT-PPUGGXLSSA-N
DB12202,667901-13-5,Zalutumumab,investigational,17602769,,D10031,,,,,,,,,,,,,
DB12203,870070-55-6,Tozadenant,investigational,,,,,,9XW,,ZINC000013986943,CHEMBL2105747,50011294,TOZADENANT,177494,11618368,COC1=C2N=C(NC(=O)N3CCC(C)(O)CC3)SC2=C(C=C1)N1CCOCC1,"InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)",XNBRWUQWSKXMPW-UHFFFAOYSA-N
DB12204,149979-74-8,Terbogrel,investigational,,,,,,,,ZINC000011726169,CHEMBL281398,,BIBV 308 SE,177760,6449876,CC(C)(C)N\C(NC#N)=N\C1=CC(=CC=C1)C(=C/CCCC(O)=O)\C1=CC=CN=C1,"InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+",XUTLOCQNGLJNSA-RGVLZGJSSA-N
DB12205,905703-97-1,Ganitumab,investigational,,,,,,,,,,,,,,,,
DB12206,1208315-24-5,N-6022,investigational,,,,,,022,,ZINC000066156654,CHEMBL1738699,50354475,N6022,,44623946,CC1=CC(=CC=C1N1C(CCC(O)=O)=CC=C1C1=CC=C(C=C1)N1C=CN=C1)C(N)=O,"InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30)",YVPGZQLRPAGKLA-UHFFFAOYSA-N
DB12207,1392136-43-4,Verdinexor,investigational,,,,2539289,,,,ZINC000205957597,CHEMBL3545187,,KPT-335,,71492799,FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=CC=CC=N2)C=N1)C(F)(F)F,"InChI=1S/C18H12F6N6O/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)16-26-10-30(29-16)6-4-15(31)28-27-14-3-1-2-5-25-14/h1-10H,(H,25,27)(H,28,31)/b6-4-",OPAKEJZFFCECPN-XQRVVYSFSA-N
DB12208,1370654-58-2,Iron isomaltoside 1000,"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB12209,1005491-05-3,Tirasemtiv,investigational,,,,,,W97,,ZINC000095627912,CHEMBL3039529,50316148,CK-2017357,,23729157,CCC(CC)N1C(=O)NC2=NC=C(N=C12)C#C,"InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)",RSQGZEAXODVTOL-UHFFFAOYSA-N
DB12210,942436-93-3,AZD-6280,investigational,,,,,,,,ZINC000071295757,CHEMBL1783256,50418456,AZD6280,,23630026,CCCNC(=O)C1=NN=C2C(=CC=CC2=C1N)C1=CC(OC)=CC=C1OC,"InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)",NVWCZRPXYVDQEE-UHFFFAOYSA-N
DB12211,851546-61-7,PSI-697,investigational,,,,,,,,ZINC000028603970,CHEMBL219046,50201984,PSI-697,,12004316,OC(=O)C1=C2C=CC3=C(CCCC3)C2=NC(CC2=CC=C(Cl)C=C2)=C1O,"InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)",DIEPFYNZGUUVHD-UHFFFAOYSA-N
DB12212,133242-30-5,Landiolol,investigational,,C07AB14,,,,,1545,ZINC000003929810,CHEMBL1742466,,LDLL-600,135809,114905,CC1(C)OC[C@@H](COC(=O)CCC2=CC=C(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)C=C2)O1,"InChI=1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31)/t20-,22+/m0/s1",WMDSZGFJQKSLLH-RBBKRZOGSA-N
DB12213,892553-42-3,Etaracizumab,investigational,,,,,,,,,,,,,,,,
DB12214,898537-18-3,Luseogliflozin,investigational,,,,,,,4891,ZINC000049087932,CHEMBL1093423,50315426,,134725,11988953,CCOC1=CC=C(CC2=CC([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(OC)C=C2C)C=C1,"InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1",WHSOLWOTCHFFBK-ZQGJOIPISA-N
DB12216,484-20-8,Bergapten,investigational,,D05BA03,,15842,,,3021,ZINC000000057731,CHEMBL24171,50067880,BERGAPTEN,18293,2355,COC1=C2C=CC(=O)OC2=CC2=C1C=CO2,"InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3",BGEBZHIAGXMEMV-UHFFFAOYSA-N
DB12218,1143532-39-1,Capivasertib,investigational,,,,,,0XZ,,ZINC000043204023,CHEMBL2325741,,AZD5363,,25227436,NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1,"InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1",JDUBGYFRJFOXQC-KRWDZBQOSA-N
DB12219,,GSK-424887,investigational,,,,,,,,,CHEMBL4297387,,GSK424887,,76958276,C[C@H](N(C)C(=O)CC1(CCN(C)CC1)C1=CC=C(F)C=C1)C1=C2C=CC=CC2=CC(Cl)=C1,"InChI=1S/C27H30ClFN2O/c1-19(25-17-22(28)16-20-6-4-5-7-24(20)25)31(3)26(32)18-27(12-14-30(2)15-13-27)21-8-10-23(29)11-9-21/h4-11,16-17,19H,12-15,18H2,1-3H3/t19-/m0/s1",DRXBWLBZWAJIEF-IBGZPJMESA-N
DB12220,1147011-84-4,ORG-25935,investigational,,,,,,,,ZINC000034640491,CHEMBL4228124,50459962,SCH-900435,,11717074,COC1=CC=C2[C@H]([C@@H](CN(C)CC(O)=O)CCC2=C1)C1=CC=CC=C1,"InChI=1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1",UEBBYLJZCHTLEG-UTKZUKDTSA-N
DB12221,976-71-6,Canrenone,investigational,,C03DA03,,1982,,,478,ZINC000003881648,CHEMBL1463345,,CANRENONE,135445,13789,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,"InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1",UJVLDDZCTMKXJK-WNHSNXHDSA-N
DB12222,149882-10-0,Lurtotecan,investigational,,,,,,,,ZINC000022010625,CHEMBL305666,50036130,GI147211C,,60956,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C4OCCOC4=CC1=C3CN1CCN(C)CC1)C2=O,"InChI=1S/C28H30N4O6/c1-3-28(35)20-11-22-25-18(14-32(22)26(33)19(20)15-38-27(28)34)17(13-31-6-4-30(2)5-7-31)16-10-23-24(12-21(16)29-25)37-9-8-36-23/h10-12,35H,3-9,13-15H2,1-2H3/t28-/m0/s1",RVFGKBWWUQOIOU-NDEPHWFRSA-N
DB12223,2892-62-8,Squaric acid dibutyl ester,investigational,,,,,,,,ZINC000001704225,CHEMBL2435707,,SQUARIC ACID DIBUTYLESTER,53612,65108,CCCCOC1=C(OCCCC)C(=O)C1=O,"InChI=1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3",XBRWELTXMQSEIN-UHFFFAOYSA-N
DB12224,19771-63-2,Oxothiazolidinecarboxylic acid,investigational,,,,1926836,,,,ZINC000003787577,CHEMBL442218,50357221,PROCYSTEINE,125673,72390,OC(=O)[C@@H]1CSC(=O)N1,"InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1",BMLMGCPTLHPWPY-REOHCLBHSA-N
DB12225,958002-33-0,Beclabuvir,investigational,,J05AP58,,,,2N7,5215,ZINC000150340281,CHEMBL4105584,50268401,,,56934415,COC1=CC=C2C3=C(C4CCCCC4)C4=CC=C(C=C4N3C[C@]3(C[C@H]3C2=C1)C(=O)N1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NS(=O)(=O)N(C)C,"InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1",ZTTKEBYSXUCBSE-QDFUAKMASA-N
DB12226,24150-24-1,Terameprocol,investigational,,,,,,,,ZINC000016953163,CHEMBL90983,,TERAMEPROCOL,177824,476861,COC1=CC=C(C[C@H](C)[C@H](C)CC2=CC=C(OC)C(OC)=C2)C=C1OC,"InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+",ORQFDHFZSMXRLM-IYBDPMFKSA-N
DB12227,,Tetulomab tetraxetan Lu-177,investigational,,,,,,,,,,,,,131704322,N[C@@H](CCCCNC(=S)NC1=CC=C(CC2CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN2CC(O)=O)C=C1)C(O)=O,"InChI=1S/C30H47N7O10S/c31-24(29(46)47)3-1-2-8-32-30(48)33-22-6-4-21(5-7-22)15-23-16-36(19-27(42)43)12-11-34(17-25(38)39)9-10-35(18-26(40)41)13-14-37(23)20-28(44)45/h4-7,23-24H,1-3,8-20,31H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,32,33,48)/t23?,24-/m0/s1",RMJFCRKHOJOLIN-CGAIIQECSA-N
DB12228,781649-09-0,Telcagepant,investigational,"['18039958', '17914062', '17929795', '18217201']",,,,,N7R,,ZINC000028827350,CHEMBL236593,50224431,MK0974,,11319053,FC1=C(F)C(=CC=C1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)N2C(=O)NC3=C2C=CC=N3)C(=O)N(CC(F)(F)F)C1,"InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1",CGDZXLJGHVKVIE-DNVCBOLYSA-N
DB12229,925448-93-7,Cerlapirdine,investigational,,,,,,,,,CHEMBL2103880,50044616,SAM-531,,16071605,CN(C)CCCOC1=CC=C2NN=C(C2=C1)S(=O)(=O)C1=C2C=CC=CC2=CC=C1,"InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)",NXQGEDVQXVTCDA-UHFFFAOYSA-N
DB12230,80755-51-7,Bunazosin,investigational,,,,19850,,,429,ZINC000000601249,CHEMBL188185,50088386,BUNAZOSIN,135576,2472,CCCC(=O)N1CCCN(CC1)C1=NC(N)=C2C=C(OC)C(OC)=CC2=N1,"InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)",RHLJLALHBZGAFM-UHFFFAOYSA-N
DB12231,3383-96-8,Temefos,investigational,,,,,,,,ZINC000002027006,CHEMBL1355821,,ABATE,38954,5392,COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1,"InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3",WWJZWCUNLNYYAU-UHFFFAOYSA-N
DB12232,158021-47-7,KRN-7000,investigational,,,,,,AGH,,ZINC000087496076,CHEMBL384200,,RGI-7000,466659,2826713,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC,"InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1",VQFKFAKEUMHBLV-BYSUZVQFSA-N
DB12233,123663-49-0,Iguratimod,investigational,,,,,,,4894,ZINC000100018451,CHEMBL2107455,50458537,IGURATIMOD,31689,124246,CS(=O)(=O)NC1=CC2=C(C=C1OC1=CC=CC=C1)C(=O)C(NC=O)=CO2,"InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)",ANMATWQYLIFGOK-UHFFFAOYSA-N
DB12234,195987-41-8,BMS-214662,investigational,,,,,,BMV,,ZINC000003925649,CHEMBL351706,50092365,BMS-214662,167655,448545,[H][C@@]1(CC2=CC=CC=C2)CN(CC2=CN=CN2)C2=C(CN1S(=O)(=O)C1=CC=CS1)C=C(C=C2)C#N,"InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1",OLCWFLWEHWLBTO-HSZRJFAPSA-N
DB12235,15183-37-6,Estetrol,"['approved', 'investigational']","['32238069', '26394847', '18464025', '28641030', '18464021', '24997853', '28267365', '33242131', '32379217', '23291110', '25214462', '26257704']",,,2539031,,4OH,5450,ZINC000005764481,CHEMBL1230314,158505,ESTETROL,142773,27125,[H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H],"InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1",AJIPIJNNOJSSQC-NYLIRDPKSA-N
DB12236,1118567-05-7,Bexagliflozin,investigational,,,,,,,,ZINC000059047505,CHEMBL1808388,50349249,BEXAGLIFLOZIN,,25195624,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(OCCOC3CC3)C=C2)=C1,"InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1",BTCRKOKVYTVOLU-SJSRKZJXSA-N
DB12237,210354-22-6,GW-274150,investigational,,,,,,,,ZINC000002004483,CHEMBL114551,50086467,GW-274150,,9797017,CC(=N)NCCSCC[C@H](N)C(O)=O,"InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1",MOLOJNHYNHBPCW-ZETCQYMHSA-N
DB12238,252977-51-8,MK-0777,investigational,,,,,,,,ZINC000000602381,CHEMBL200177,50176771,MK-0777,,9908684,CCN1N=CN=C1COC1=NN2C(C=C1C(C)(C)C)=NN=C2C1=CC=CC=C1F,"InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3",QKIWQBLNTSQOLY-UHFFFAOYSA-N
DB12239,354813-19-7,Balicatib,investigational,,,,,,,,ZINC000003954923,CHEMBL371064,19855,BALICATIB,,10201696,CCCN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1(CCCCC1)C(=O)NCC#N,"InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)",LLCRBOWRJOUJAE-UHFFFAOYSA-N
DB12240,1313206-42-6,Polatuzumab vedotin,"['approved', 'investigational']","['28544534', '25048520', '31101489', '26636901']",,,2174091,,,,,,,,,,,,
DB12241,1035555-63-5,TAK-733,investigational,,,,,,IZG,,ZINC000043196550,CHEMBL1615025,50337926,TAK733,,24963252,[H][C@](O)(CO)CN1C=NC2=C(C1=O)C(NC1=C(F)C=C(I)C=C1)=C(F)C(=O)N2C,"InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1",RCLQNICOARASSR-SECBINFHSA-N
DB12242,860352-01-8,AZD-7762,investigational,,,,,,YDJ,,ZINC000033359230,CHEMBL2041933,50389803,AZD 7762,131156,11152667,NC(=O)NC1=C(SC(=C1)C1=CC=CC(F)=C1)C(=O)N[C@H]1CCCNC1,"InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1",IAYGCINLNONXHY-LBPRGKRZSA-N
DB12243,89-25-8,Edaravone,"['approved', 'investigational']","['21922128', '25847999', '24648884', '26469273', '22762844', '18485133']",N07XX14,D01552,1921877,,W1P,4156,ZINC000018203737,CHEMBL290916,50200541,RADICAVA,31530,4021,CC1=NN(C(=O)C1)C1=CC=CC=C1,"InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3",QELUYTUMUWHWMC-UHFFFAOYSA-N
DB12244,357425-02-6,CP-601927,investigational,,,,,,,,ZINC000028526241,CHEMBL3341965,50045045,,,11498153,FC(F)(F)C1=CC2=C(C=C1)[C@H]1C[C@@H]2CNC1,"InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1",RNOBTWYQAWEZHH-JGVFFNPUSA-N
DB12245,68786-66-3,Triclabendazole,"['approved', 'investigational']","['27648421', '17265093']",P02BX04,D07364,2118525,,JA9,2734,ZINC000001444556,CHEMBL1086440,58491,FASINEX,94759,50248,CSC1=NC2=C(N1)C=C(Cl)C(OC1=CC=CC(Cl)=C1Cl)=C2,"InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)",NQPDXQQQCQDHHW-UHFFFAOYSA-N
DB12246,1256258-86-2,Inclacumab,investigational,,,,,,,,,,,,,,,,
DB12247,1035270-39-3,AZD-4547,investigational,,,,,,66T,,ZINC000095616598,CHEMBL3348846,50065454,,63453,51039095,COC1=CC(OC)=CC(CCC2=CC(NC(=O)C3=CC=C(C=C3)N3C[C@H](C)N[C@H](C)C3)=NN2)=C1,"InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+",VRQMAABPASPXMW-HDICACEKSA-N
DB12248,41570-61-0,Tulobuterol,investigational,,"['R03AC11', 'R03CC11']",,38967,,,2782,,CHEMBL1159717,50421717,TULOBUTEROL,93856,5606,CC(C)(C)NCC(O)C1=CC=CC=C1Cl,"InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3",YREYLAVBNPACJM-UHFFFAOYSA-N
DB12249,37189-34-7,Stem bromelain,"['approved', 'investigational']","['23304525', '9252520']",,,2373652,,,,,,,,,,,,
DB12250,947687-12-9,Cixutumumab,investigational,"['17875788', '15757893']",,,,,,,,,,,,,,,
DB12251,10539-19-2,Moxaverine,investigational,,A03AD30,,52918,,,1853,ZINC000000001754,CHEMBL2105060,,MOXAVERINE,135307,70882,CCC1=NC(CC2=CC=CC=C2)=C2C=C(OC)C(OC)=CC2=C1,"InChI=1S/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3",MYCMTMIGRXJNSO-UHFFFAOYSA-N
DB12252,583028-68-6,PG-701,investigational,,,,,,,,ZINC000043203993,CHEMBL3358841,,,,10317383,CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@@]3(O)C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O,"InChI=1S/C20H24O7/c1-8(2)18-12(26-18)13-20(27-13)16(3)5-4-9-10(7-24-14(9)21)17(16,23)6-11-19(20,25-11)15(18)22/h8,11-13,15,22-23H,4-7H2,1-3H3/t11-,12-,13-,15+,16-,17+,18-,19+,20+/m0/s1",OKRSVUYYCJPECG-LFGMFVMYSA-N
DB12253,1365888-06-7,GDC-0810,investigational,,,,,,7I0,,ZINC000114545220,CHEMBL3581693,50090462,GDC-0810,,56941241,CC\C(=C(\C1=CC=C(\C=C\C(O)=O)C=C1)C1=CC=C2NN=CC2=C1)C1=CC=C(F)C=C1Cl,"InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+",BURHGPHDEVGCEZ-KJGLQBJMSA-N
DB12254,141430-65-1,ABT-751,investigational,,,,,,E70,,ZINC000000598089,CHEMBL20684,50101086,E 7010,95043,3035714,COC1=CC=C(C=C1)S(=O)(=O)NC1=C(NC2=CC=C(O)C=C2)N=CC=C1,"InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)",URCVCIZFVQDVPM-UHFFFAOYSA-N
DB12255,1000025-07-9,Vadadustat,investigational,,,,,,A1Z,5420,ZINC000117532869,CHEMBL3646221,107704,AKB-6548,,23634441,OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1,"InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)",JGRXMPYUTJLTKT-UHFFFAOYSA-N
DB12256,1337968-84-9,Bamosiran,investigational,,,,,,,,,,,,,,,,
DB12257,7440-06-4,Platinum,investigational,,,,1311280,PA150595617,,,,,,,33400,23939,[Pt],InChI=1S/Pt,BASFCYQUMIYNBI-UHFFFAOYSA-N
DB12258,1327278-94-3,Abicipar Pegol,investigational,,,,,,,,,,,,,,,,
DB12259,936221-33-9,CG-200745,investigational,,,,,,,,,CHEMBL4297366,,CG200745,,16117309,CN(C)CCCNC(=O)C(\COC1=C2C=CC=CC2=CC=C1)=C\CCCCC(=O)NO,"InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+",AUGCSOFQTDKPSO-RGVLZGJSSA-N
DB12260,496054-87-6,Radiprodil,investigational,,,,,,,,ZINC000028363953,CHEMBL182066,50149684,RGH-896,,10200813,FC1=CC=C(CC2CCN(CC2)C(=O)C(=O)NC2=CC=C3NC(=O)OC3=C2)C=C1,"InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)",GKGRZLGAQZPEHO-UHFFFAOYSA-N
DB12261,1463459-96-2,Ascrinvacumab,investigational,,,,,,,,,,,,,,,,
DB12262,1013915-71-3,CRS-3123,investigational,,,,,,U81,,ZINC000043173277,CHEMBL4297370,,CRS3123,,16744283,BrC1=CC2=C(OCC[C@H]2NCCCNC2=CC(=O)C3=C(N2)C=CS3)C(Br)=C1,"InChI=1S/C19H19Br2N3O2S/c20-11-8-12-14(2-6-26-18(12)13(21)9-11)22-4-1-5-23-17-10-16(25)19-15(24-17)3-7-27-19/h3,7-10,14,22H,1-2,4-6H2,(H2,23,24,25)/t14-/m1/s1",NNTYBKTXMKBRFA-CQSZACIVSA-N
DB12263,769169-27-9,Begacestat,investigational,,,,,,,,ZINC000030691750,CHEMBL463981,28922,BEGACESTAT,,11269353,OC[C@@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(C(F)(F)F)C(F)(F)F,"InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1",PSXOKXJMVRSARX-SCSAIBSYSA-N
DB12264,136816-75-6,Atevirdine,investigational,,,,,,,,ZINC000000597817,CHEMBL280527,1437,U-87201E,,60848,CCNC1=CC=CN=C1N1CCN(CC1)C(=O)C1=CC2=CC(OC)=CC=C2N1,"InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3",UCPOMLWZWRTIAA-UHFFFAOYSA-N
DB12265,59729-37-2,Fexinidazole,"['approved', 'investigational']","['29113731', '21911566', '30635838', '21200426', '24535888', '30712768']",P01CA03,,2564146,,,,ZINC000000001448,CHEMBL1631694,,HOE-239,,68792,CSC1=CC=C(OCC2=NC=C(N2C)[N+]([O-])=O)C=C1,"InChI=1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3",MIWWSGDADVMLTG-UHFFFAOYSA-N
DB12266,958646-17-8,Epofolate,investigational,,,,,,,,,,,,,135566069,[H][C@]1(C)CCC[C@@H]2[C@H](C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1)N2CCOC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3N=C(N)NC(=O)C3=N2)C=C1)C(O)=O)C(O)=O,"InChI=1S/C67H92N16O22S3/c1-32-9-7-11-45-46(26-47(33(2)23-38-30-106-35(4)74-38)105-52(90)27-48(84)67(5,6)55(92)34(3)54(32)91)83(45)19-20-103-66(102)104-21-22-107-108-31-44(63(100)101)80-60(96)43(25-51(88)89)79-58(94)40(10-8-18-71-64(68)69)77-59(95)42(24-50(86)87)76-49(85)17-16-41(62(98)99)78-57(93)36-12-14-37(15-13-36)72-28-39-29-73-56-53(75-39)61(97)82-65(70)81-56/h12-15,23,29-30,32,34,40-48,54,72,84,91H,7-11,16-22,24-28,31H2,1-6H3,(H,76,85)(H,77,95)(H,78,93)(H,79,94)(H,80,96)(H,86,87)(H,88,89)(H,98,99)(H,100,101)(H4,68,69,71)(H3,70,73,81,82,97)/b33-23+/t32-,34+,40-,41-,42-,43-,44-,45+,46-,47-,48-,54-,83?/m0/s1",TURJYGRXEJIBGT-OCOMGVANSA-N
DB12267,1197953-54-0,Brigatinib,"['approved', 'investigational']","['28872581', '25888090', '28597393', '27049722', '28435288', '27144831', '28680831', '23239810']",L01XE43,,1921217,PA166163482,6GY,5233,ZINC000148723177,CHEMBL3545311,50185140,ALUNBRIG,,68165256,COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1,"InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)",AILRADAXUVEEIR-UHFFFAOYSA-N
DB12268,813452-18-5,Carmegliptin,investigational,,,,,,B1Q,,ZINC000038358483,CHEMBL591118,50309470,R-1579,,11417567,[H][C@@]1(CF)CN(C(=O)C1)[C@@]1([H])CN2CCC3=CC(OC)=C(OC)C=C3[C@]2([H])C[C@]1([H])N,"InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1",GUYMHFIHHOEFOA-ZCPGHIKRSA-N
DB12269,1402438-74-7,PF-06273340,investigational,,,,,,6K4,,ZINC000203540977,CHEMBL4212531,,PF-06273340,,66571548,CC(C)(CO)N1C=C(C(=O)C2=CC(NC(=O)CC3=CC=C(Cl)C=N3)=CN=C2)C2=CN=C(N)N=C12,"InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30)",BPIWZDNVMQQBQX-UHFFFAOYSA-N
DB12270,585543-15-3,Losmapimod,investigational,,,,,,,,ZINC000035793138,CHEMBL1088752,50418610,GW-856553X,131167,11552706,CC1=C(C=C(C=C1F)C(=O)NC1CC1)C1=CC=C(C=N1)C(=O)NCC(C)(C)C,"InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)",KKYABQBFGDZVNQ-UHFFFAOYSA-N
DB12271,305335-31-3,ORE-1001,investigational,,,,,,XX5,,ZINC000001549629,CHEMBL429844,21489,ORE-1001,166834,448281,CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC1=CC(Cl)=CC(Cl)=C1)C(O)=O)C(O)=O,"InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1",NTCCRGGIJNDEAB-IRXDYDNUSA-N
DB12272,1169483-24-2,Vidupiprant,investigational,,,,,,,,ZINC000043206238,CHEMBL1951575,50363928,AMG 853,,42641863,CC(C)(C)NC(=O)C1=CC=C(OC2=CC(F)=C(CC(O)=O)C=C2Cl)C(NS(=O)(=O)C2=CC=C(C=C2Cl)C2CC2)=C1,"InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)",PFWVGKROPKKEDW-UHFFFAOYSA-N
DB12273,112108-01-7,Ecopipam,investigational,,,,,,,,ZINC000000003897,CHEMBL298406,50004823,ECOPIPAM,93645,107930,[H][C@]12CCC3=CC=CC=C3[C@]1([H])C1=CC(O)=C(Cl)C=C1CCN2C,"InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1",DMJWENQHWZZWDF-PKOBYXMFSA-N
DB12274,1384260-65-4,Aducanumab,"['approved', 'investigational']","['29067304', '33971962', '28653357', '29686315', '31978357']",,,2557218,,,,,,,,,,,,
DB12275,1610537-15-9,Seviteronel,investigational,,,,,,6D8,,ZINC000139920592,CHEMBL3264610,,SEVITERONEL,,78357816,CC(C)[C@@](O)(C1=CN=NN1)C1=CC=C2C=C(OC(F)F)C(OC(F)F)=CC2=C1,"InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1",ZBRAJOQFSNYJMF-SFHVURJKSA-N
DB12276,126411-13-0,Apomine,investigational,,,,,,,,,CHEMBL4639024,50541163,,,176405,CC(C)OP(=O)(OC(C)C)C(CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C,"InChI=1S/C28H52O7P2/c1-18(2)32-36(30,33-19(3)4)25(37(31,34-20(5)6)35-21(7)8)17-22-15-23(27(9,10)11)26(29)24(16-22)28(12,13)14/h15-16,18-21,25,29H,17H2,1-14H3",YLJOVCWVJCDPLN-UHFFFAOYSA-N
DB12277,28757-47-3,Polihexanide,"['approved', 'investigational']",,D08AC05,,1373041,,,,,,,,,,,,
DB12278,60569-19-9,Propiverine,"['approved', 'investigational']","['3208795', '27750360', '16406943', '23288694', '12452898']",G04BD06,D08441,55175,,,2300,ZINC000001530934,CHEMBL1078261,,PROPIVERINE,8493,4942,CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3",QPCVHQBVMYCJOM-UHFFFAOYSA-N
DB12279,328548-11-4,OBP-801,investigational,,,,,,,,ZINC000013917051,CHEMBL3126832,50505365,OBP-801,,11178958,CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O,"InChI=1S/C20H31N3O6S2/c1-11(2)18-15(24)9-17(26)29-13-6-4-5-7-30-31-10-14(20(28)23-18)22-19(27)12(3)21-16(25)8-13/h4,6,11-15,18,24H,5,7-10H2,1-3H3,(H,21,25)(H,22,27)(H,23,28)/b6-4+/t12-,13-,14-,15+,18-/m1/s1",XFLBOEMFLGLWFF-HDXRNPEWSA-N
DB12280,1034148-04-3,AZD-5423,investigational,,,,,,8W8,,ZINC000095616569,CHEMBL4072756,50250112,AZD-5423,,24825740,COC1=CC(=CC=C1)[C@@H](OC1=CC=C2N(N=CC2=C1)C1=CC=C(F)C=C1)[C@H](C)NC(=O)C(F)(F)F,"InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1",FCNQMDSJHADDFT-WNSKOXEYSA-N
DB12281,1373715-00-4,Luspatercept,"['approved', 'investigational']","['31395583', '31394818', '30617198', '28958287', '24658078']",B03XA06,,2262544,,,,,,,,,,,,
DB12282,1073154-85-4,Defactinib,investigational,,,,,,7KD,,ZINC000103297739,CHEMBL3137331,418817,VS-6063,,25117126,CNC(=O)C1=CC=C(NC2=NC=C(C(NCC3=C(N=CC=N3)N(C)S(C)(=O)=O)=N2)C(F)(F)F)C=C1,"InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)",FWLMVFUGMHIOAA-UHFFFAOYSA-N
DB12283,690270-29-2,Balapiravir,investigational,,,,,,,,ZINC000035328439,CHEMBL550936,,RO-4588161,,53297462,CC(C)C(=O)OC[C@]1(O[C@H]([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)N1C=CC(N)=NC1=O)N=[N+]=[N-],"InChI=1S/C21H30N6O8/c1-10(2)17(28)32-9-21(25-26-23)15(34-19(30)12(5)6)14(33-18(29)11(3)4)16(35-21)27-8-7-13(22)24-20(27)31/h7-8,10-12,14-16H,9H2,1-6H3,(H2,22,24,31)/t14-,15+,16-,21-/m1/s1",VKXWOLCNTHXCLF-DXEZIKHYSA-N
DB12284,1234703-40-2,LY-2608204,investigational,,,,,,,,ZINC000070471849,CHEMBL4297399,,SY-004,,46832368,O=C(NC1=NC=C(SCCN2CCCC2)S1)[C@@]1(C[C@H]1C1CCCCC1)C1=CC=C(C=C1)S(=O)(=O)C1CC1,"InChI=1S/C28H37N3O3S3/c32-26(30-27-29-19-25(36-27)35-17-16-31-14-4-5-15-31)28(18-24(28)20-6-2-1-3-7-20)21-8-10-22(11-9-21)37(33,34)23-12-13-23/h8-11,19-20,23-24H,1-7,12-18H2,(H,29,30,32)/t24-,28-/m0/s1",QIIVJLHCZUTGSD-CUBQBAPOSA-N
DB12285,1286770-55-5,Verubecestat,investigational,,,,,,66F,,ZINC000144542146,CHEMBL3301601,47353,SCH-900931,,51352361,CN1C(N)=N[C@@](C)(CS1(=O)=O)C1=CC(NC(=O)C2=CC=C(F)C=N2)=CC=C1F,"InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1",YHYKUSGACIYRML-KRWDZBQOSA-N
DB12286,131741-08-7,Simendan,investigational,,,,,,,,,CHEMBL313136,50469701,SIMENDAN,,60867,CC1CC(O)=NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1,"InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)",WHXMKTBCFHIYNQ-UHFFFAOYSA-N
DB12287,147025-53-4,Talsaclidine,investigational,,,,,,,,ZINC000001547638,CHEMBL2111051,50119648,WAL-2014-FU,,71792,C#CCO[C@H]1CN2CCC1CC2,"InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1",XVFJONKUSLSKSW-JTQLQIEISA-N
DB12288,946846-83-9,Piromelatine,investigational,,,,,,,,,CHEMBL4297523,,NEU-P11,,24815904,COC1=CC=C2NC=C(CCNC(=O)C3=CC(=O)C=CO3)C2=C1,"InChI=1S/C17H16N2O4/c1-22-13-2-3-15-14(9-13)11(10-19-15)4-6-18-17(21)16-8-12(20)5-7-23-16/h2-3,5,7-10,19H,4,6H2,1H3,(H,18,21)",PNTNBIHOAPJYDB-UHFFFAOYSA-N
DB12289,365462-23-3,Darexaban,investigational,,,,,,,,ZINC000070647134,CHEMBL1922235,50358252,DAREXABAN,,9912771,COC1=CC=C(C=C1)C(=O)NC1=C(NC(=O)C2=CC=C(C=C2)N2CCCN(C)CC2)C(O)=CC=C1,"InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)",IJNIQYINMSGIPS-UHFFFAOYSA-N
DB12290,3681-99-0,Puerarin,investigational,,,,,,,,ZINC000004098745,CHEMBL486386,50129558,PUERARIN,8633,5281807,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1,"InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1",HKEAFJYKMMKDOR-VPRICQMDSA-N
DB12291,112522-64-2,Tacedinaline,investigational,,,,,,,,ZINC000000003803,CHEMBL235191,19422,GOE-5549,90195,2746,CC(=O)NC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1N,"InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)",VAZAPHZUAVEOMC-UHFFFAOYSA-N
DB12292,285571-64-4,Barusiban,investigational,,,,,,,,ZINC000085537120,CHEMBL2218898,,BARUSIBAN,,9832431,CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@H](C)CC)C(=O)N(C)[C@H](CO)CCCN,"InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1",UGNGRKKDUVKQDF-IHOMMZCZSA-N
DB12293,13669-70-0,Nefopam,"['approved', 'investigational']",,N02BG06,,7285,,,1891,,CHEMBL465026,50237616,NEFOPAM HYDROCHLORIDE,88318,4450,CN1CCOC(C2=CC=CC=C2)C2=CC=CC=C2C1,"InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3",RGPDEAGGEXEMMM-UHFFFAOYSA-N
DB12294,910649-32-0,Anrukinzumab,investigational,,,,,,,,,,,,,,,,
DB12295,844873-47-8,Evodenoson,investigational,,,,,,,,,CHEMBL1950651,50148598,DE-112,,11627443,COC(=O)N1CCC(CC#CC2=NC(N)=C3N=CN([C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NC4CC4)C3=N2)CC1,"InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1",SQJXTUJMBYVDBB-RQXXJAGISA-N
DB12296,1518996-49-0,GS-5745,investigational,,,,,,,,,,,,,,,,
DB12297,1320346-97-1,GLPG-0187,investigational,,,,,,,,ZINC000113459996,CHEMBL3319236,50497714,GLPG0187,,53340771,COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC1=C(C)C(=NC(C)=N1)N1CCC(CC1)C1=CC=C2CCCNC2=N1)C(O)=O,"InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1",CXHCNOMGODVIKB-VWLOTQADSA-N
DB12298,67-47-0,5-(hydroxymethyl)-2-furaldehyde,investigational,,,,,,FUX,,ZINC000000900788,CHEMBL185885,50487911,AES-103,412516,237332,OCC1=CC=C(O1)C=O,"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2",NOEGNKMFWQHSLB-UHFFFAOYSA-N
DB12299,929622-08-2,Bavisant,investigational,,,,,,,,ZINC000034962220,CHEMBL2103862,50138125,JNJ-31001074,,16061509,O=C(N1CCN(CC1)C1CC1)C1=CC=C(CN2CCOCC2)C=C1,"InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2",BGBVSGSIXIIREO-UHFFFAOYSA-N
DB12300,92-93-3,P-nitrobiphenyl,"['experimental', 'approved', 'investigational']",,,,2571811,,,,ZINC000001591846,CHEMBL352531,,,82504,7114,O=N(=O)C1=CC=C(C=C1)C1=CC=CC=C1,InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,BAJQRLZAPXASRD-UHFFFAOYSA-N
DB12301,1338225-97-0,Doravirine,"['approved', 'investigational']","['23028129', '29557716', '30047107']","['J05AG06', 'J05AR24']",,2055755,,2KW,5295,ZINC000072317283,CHEMBL2364608,50508293,MK-1439A,,58460047,CN1C(=O)NN=C1CN1C=CC(=C(OC2=CC(=CC(Cl)=C2)C#N)C1=O)C(F)(F)F,"InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)",ZIAOVIPSKUPPQW-UHFFFAOYSA-N
DB12302,537705-08-1,CP-724714,investigational,,,,,,,,ZINC000003817105,CHEMBL483321,31340,"CP-724,714",167658,9874913,COCC(=O)NC\C=C\C1=CC=C2N=CN=C(NC3=CC=C(OC4=CC=C(C)N=C4)C(C)=C3)C2=C1,"InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+",LLVZBTWPGQVVLW-SNAWJCMRSA-N
DB12303,926927-61-9,Motolimod,investigational,,,,,,,,ZINC000034946588,CHEMBL3301618,,VTX-2337,,16049404,CCCN(CCC)C(=O)C1=CC2=CC=C(C=C2N=C(N)C1)C1=CC=C(C=C1)C(=O)N1CCCC1,"InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)",QSPOQCXMGPDIHI-UHFFFAOYSA-N
DB12304,951628-22-1,Entolimod,investigational,,,,,,,,,,,,,,,,
DB12305,675126-05-3,Dasotraline,investigational,,,,,,,,ZINC000002510873,CHEMBL3301595,,DASOTRALINE,,9947999,N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12,"InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1",SRPXSILJHWNFMK-MEDUHNTESA-N
DB12306,1193314-23-6,Cipargamin,investigational,,,,,,,,ZINC000049037032,CHEMBL1082723,50318666,KAE609,,44469321,C[C@H]1CC2=C(NC3=CC(Cl)=C(F)C=C23)[C@@]2(N1)C(=O)NC1=CC=C(Cl)C=C21,"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1",CKLPLPZSUQEDRT-WPCRTTGESA-N
DB12307,849217-64-7,Foretinib,investigational,,,,,,88Z,,ZINC000043204048,CHEMBL1230609,50399540,XL-880,91418,42642645,COC1=C(OCCCN2CCOCC2)C=C2N=CC=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3F)C2=C1,"InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)",CXQHYVUVSFXTMY-UHFFFAOYSA-N
DB12308,128-20-1,Eltanolone,investigational,,,,,,P9N,997,ZINC000003800039,CHEMBL210952,,ELTANOLONE,1712,31402,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1",AURFZBICLPNKBZ-YZRLXODZSA-N
DB12309,305366-98-7,GI-181771X,investigational,,,,,,,,,CHEMBL1269257,50329178,,,51353551,CC(C)N(C(=O)CN1C2=CC=CC=C2N(C2=CC=CC=C2)C(=O)[C@@H](NC(=O)NC2=CC=CC(=C2)C(O)=O)C1=O)C1=CC=CC=C1,"InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1",CABBMMXFOOZVMS-PMERELPUSA-N
DB12310,99-20-7,Trehalose,investigational,,,,1311373,,,,ZINC000004095531,CHEMBL1236395,50235450,TREHALOSE,16551,7427,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1",HDTRYLNUVZCQOY-LIZSDCNHSA-N
DB12311,183619-38-7,CP1-1189,investigational,,,,,,,,ZINC000000008596,CHEMBL4297369,,CPI-1189,,151118,CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C,"InChI=1S/C13H18N2O2/c1-9(16)14-11-7-5-10(6-8-11)12(17)15-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)",DJKNRCWSXSZACF-UHFFFAOYSA-N
DB12312,256456-73-2,ORG-25435,investigational,,,,,,,,ZINC000038141213,CHEMBL13254,50105787,,,9885653,CC[C@@H](N(CCOC)CCOC)C(=O)OC1=C(OC)C=C(C)C=C1OC,"InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3/t15-/m1/s1",GKRFHHRXDUACIN-OAHLLOKOSA-N
DB12313,86197-47-9,Dopexamine,"['approved', 'investigational']",,C01CA14,,23638,,,948,ZINC000003798745,CHEMBL77622,50239997,DOPEXAMINE,135507,55483,OC1=C(O)C=C(CCNCCCCCCNCCC2=CC=CC=C2)C=C1,"InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2",RYBJORHCUPVNMB-UHFFFAOYSA-N
DB12314,537-21-3,Chlorproguanil,investigational,,,,,PA165857067,,620,ZINC000000001136,CHEMBL1213553,,LAPUDRINE,135192,9571037,CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C(Cl)=C1,"InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)",ISZNZKHCRKXXAU-UHFFFAOYSA-N
DB12316,205252-57-9,9CUAB30,investigational,,,,,,1O8,,,CHEMBL3098771,50445062,UAB-30,,9904203,[H]/C(=C(/[H])\C(\C)=C(/[H])C(O)=O)/C(/[H])=C(/C)\C(\[H])=C1/CCCC2=CC=CC=C12,"InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+",PPGNMFUMZSAZCW-VOYUZAMQSA-N
DB12317,1448221-05-3,Vanucizumab,investigational,,,,,,,,,,,,,,,,
DB12318,714971-09-2,BMS-599626,investigational,,,,,,,,ZINC000006717782,CHEMBL1645462,50333373,BMS 599626,,10437018,CC1=C2N(C=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2NC1=CC=C2N(CC3=CC=CC(F)=C3)N=CC2=C1,"InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1",LUJZZYWHBDHDQX-QFIPXVFZSA-N
DB12319,3562-84-3,Benzbromarone,"['withdrawn', 'investigational']",,M04AB03,D01056,1385,,R75,318,ZINC000000608205,CHEMBL388590,50158460,BENZBROMARONE,3023,2333,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1,"InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",WHQCHUCQKNIQEC-UHFFFAOYSA-N
DB12320,410528-02-8,Palovarotene,investigational,,,,,,,,,,,,,,CC1(C)CCC(C)(C)C2=C1C=C(CN1C=CC=N1)C(\C=C\C1=CC=C(C=C1)C(O)=O)=C2,"InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+",YTFHCXIPDIHOIA-DHZHZOJOSA-N
DB12321,143443-90-7,Ifetroban,investigational,,,,,,,,ZINC000003793091,CHEMBL3301673,50212318,IFETROBAN,188730,3037233,CCCCCNC(=O)C1=COC(=N1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1CC1=CC=CC=C1CCC(O)=O,"InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1",BBPRUNPUJIUXSE-DXKRWKNPSA-N
DB12322,827319-43-7,GW-870086,investigational,,,,,,,,,CHEMBL4297388,,GW870086,,11376392,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1C(C)(C)C1(C)C)C(=O)OCC#N,"InChI=1S/C31H39F2NO6/c1-16-12-18-19-14-21(32)20-13-17(35)8-9-28(20,6)30(19,33)22(36)15-29(18,7)31(16,25(38)39-11-10-34)40-24(37)23-26(2,3)27(23,4)5/h8-9,13,16,18-19,21-23,36H,11-12,14-15H2,1-7H3/t16-,18+,19+,21+,22+,28+,29+,30+,31+/m1/s1",WUBKGTSFJSEIEM-NSHBDUGJSA-N
DB12323,926037-48-1,Radotinib,investigational,"['22825216', '24705186', '25676420']",,,,,,5188,ZINC000059749972,CHEMBL4297524,,IY5511,,16063245,CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=N3)=C2)=CC(=C1)C(F)(F)F,"InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)",DUPWHXBITIZIKZ-UHFFFAOYSA-N
DB12325,1229705-06-9,Idasanutlin,investigational,,,,,,,,ZINC000096273105,CHEMBL2402737,50437206,IDASANUTLIN,,53358942,COC1=CC(=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1C1=CC=CC(Cl)=C1F)C1=CC=C(Cl)C=C1F)C(O)=O,"InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1",TVTXCJFHQKSQQM-LJQIRTBHSA-N
DB12326,1010081-09-0,Antroquinonol,investigational,,,,,,,,ZINC000087529312,CHEMBL3235620,,HOCENA,65415,24875259,COC1=C(OC)C(=O)[C@H](C)[C@@H](C\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H]1O,"InChI=1S/C24H38O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14,19-20,22,26H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+/t19-,20-,22-/m1/s1",LJTSIMVOOOLKOL-FNRDIUJOSA-N
DB12327,83729-01-5,Salvinorin A,investigational,,,,,,,,ZINC000013607514,CHEMBL445332,50159165,SALVINORIN A,67900,128563,COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1,"InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1",OBSYBRPAKCASQB-AGQYDFLVSA-N
DB12328,56-25-7,Cantharidin,"['approved', 'investigational']","['20331621', '24945640', '27319954', '19938553']",,,1984,,,,ZINC000017611186,CHEMBL48449,50090505,CANTHARIDIN,64213,5944,[H][C@]12CC[C@]([H])(O1)[C@]1(C)C(=O)OC(=O)[C@]21C,"InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-",DHZBEENLJMYSHQ-XCVPVQRUSA-N
DB12329,1207283-85-9,Eravacycline,"['approved', 'investigational']","['27851857', '24468780', '29869646']","['J01AA20', 'J01AA13']",,2055906,,,,,CHEMBL1951095,,ERAVACYCLINE,,,[H][C@@]12CC3=C(F)C=C(NC(=O)CN4CCCC4)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,"InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34,36-37,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1",HLFSMUUOKPBTSM-ISIOAQNYSA-N
DB12330,1236126-45-6,Blisibimod,investigational,,,,,,,,,,,,,,,,
DB12331,1469876-18-3,Labetuzumab govitecan,investigational,,,,,,,,,,,,,,,,
DB12332,283173-50-2,Rucaparib,"['approved', 'investigational']","['27002934', '27515310', '28790837', '27087632']",L01XX55,D10079,1862579,PA166163418,RPB,5203,ZINC000000025958,CHEMBL1173055,50446130,RUCAPARIB CAMSYLATE,134689,9931954,CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3,"InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)",HMABYWSNWIZPAG-UHFFFAOYSA-N
DB12333,143483-67-4,Amcipatricin,investigational,,,,,,,,,,,,,11963628,[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](NC(=O)CN(C)C)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@]([H])(OC(=O)C[C@H](O)CC(=O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)NCCN(C)C)O2)[C@@H](C)CCC(O)CC(=O)C1=CC=C(NC)C=C1,"InChI=1S/C67H103N5O19/c1-42-21-19-17-15-13-11-9-10-12-14-16-18-20-22-54(89-66-63(85)61(62(84)44(3)88-66)70-58(82)41-72(7)8)38-57-60(65(86)69-29-30-71(5)6)56(81)40-67(87,91-57)39-53(79)35-51(77)33-49(75)31-48(74)32-50(76)34-52(78)37-59(83)90-64(42)43(2)23-28-47(73)36-55(80)45-24-26-46(68-4)27-25-45/h9-22,24-27,42-44,47-49,51-54,56-57,60-64,66,68,73-75,77-79,81,84-85,87H,23,28-41H2,1-8H3,(H,69,86)(H,70,82)/b10-9+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+/t42-,43-,44+,47?,48+,49-,51-,52+,53-,54-,56-,57-,60+,61-,62+,63-,64-,66-,67+/m0/s1",UJGVOBAKMNJQEV-LYLBHANESA-N
DB12334,352425-37-7,Milataxel,investigational,14555706,,,,,,,,,,,,6918589,CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CO4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C,"InChI=1S/C44H55NO16/c1-10-29(47)58-27-19-28-43(21-56-28,60-23(3)46)34-36(59-37(51)24-15-12-11-13-16-24)44(54)20-26(22(2)30(41(44,7)8)32(48)35(50)42(27,34)9)57-38(52)33(49)31(25-17-14-18-55-25)45-39(53)61-40(4,5)6/h11-18,26-28,31-34,36,48-49,54H,10,19-21H2,1-9H3,(H,45,53)/t26-,27-,28+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1",XIVMHSNIQAICTR-UQYHODNASA-N
DB12335,880266-57-9,Tanezumab,investigational,,,,,,,,,,,,,,,,
DB12336,1446182-94-0,GDC-0917,investigational,,,,,,,,ZINC000206792055,CHEMBL4297282,50542237,GDC-0917,,71600094,CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC1=C(N=C(S1)C1=NC=CO1)C1=CC=CC=C1,"InChI=1S/C29H36N6O4S/c1-18(30-2)24(36)32-23(20-12-7-4-8-13-20)29(38)35-16-9-14-21(35)25(37)34-27-22(19-10-5-3-6-11-19)33-28(40-27)26-31-15-17-39-26/h3,5-6,10-11,15,17-18,20-21,23,30H,4,7-9,12-14,16H2,1-2H3,(H,32,36)(H,34,37)/t18-,21-,23-/m0/s1",HSHPBORBOJIXSQ-HARLFGEKSA-N
DB12337,121-60-8,N-acetylsulfanilyl chloride,investigational,,,,,,,,ZINC000059245654,CHEMBL3185390,,,,8481,CC(=O)NC1=CC=C(C=C1)S(Cl)(=O)=O,"InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)",GRDXCFKBQWDAJH-UHFFFAOYSA-N
DB12338,194085-75-1,Carisbamate,investigational,,N03AX19,,,,,4400,ZINC000030691363,CHEMBL2087003,,RWJ-333369,135966,6918474,NC(=O)OC[C@@H](O)C1=CC=CC=C1Cl,"InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1",OLBWFRRUHYQABZ-MRVPVSSYSA-N
DB12339,869884-78-6,Radezolid,investigational,,,,,,RD8,,ZINC000040379938,CHEMBL455461,,RADEZOLID,,11224409,CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C(F)=C1)C1=CC=C(CNCC2=CN=NN2)C=C1,"InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1",BTTNOGHPGJANSW-IBGZPJMESA-N
DB12340,923564-51-6,Navitoclax,investigational,18085673,,,,,1XJ,,ZINC000150338726,CHEMBL443684,50270877,NAVITOCLAX,131174,24978538,[H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F,"InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1",JLYAXFNOILIKPP-KXQOOQHDSA-N
DB12341,1174130-61-0,LY-2456302,investigational,,,,,,,,ZINC000043206677,CHEMBL1921847,50358171,ATICAPRANT,,44129648,CC1=CC(=CC(C)=C1)[C@@H]1CCCN1CC1=CC=C(OC2=CC=C(C=C2F)C(N)=O)C=C1,"InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1",ZHPMYDSXGRRERG-DEOSSOPVSA-N
DB12342,1092658-06-4,Ensituximab,investigational,,,,,,,,,,,,,,,,
DB12343,66148-78-5,Temocillin,"['approved', 'investigational']",,"['J01CR50', 'J01CA17']",,37775,,,2587,,CHEMBL1276310,,BRL-17421,51817,171758,CO[C@]1(NC(=O)C(C(O)=O)C2=CSC=C2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O,"InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1",BVCKFLJARNKCSS-DWPRYXJFSA-N
DB12344,1007106-86-6,Fezakinumab,investigational,,,,,,,,,,,,,,,,
DB12345,1037792-44-1,MBX-2982,investigational,,,,,,,,ZINC000073069252,CHEMBL3260505,50013909,MBX-2982,,25025505,CCC1=CN=C(N=C1)N1CCC(CC1)C1=NC(COC2=CC=C(C=C2)N2C=NN=N2)=CS1,"InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3",NFTMKHWBOINJGM-UHFFFAOYSA-N
DB12346,1238217-55-4,Vatelizumab,investigational,,,,,,,,,,,,,,,,
DB12347,934628-27-0,CG-400549,investigational,,,,,,PT6,,ZINC000016696900,CHEMBL488937,231620,CG400549,,11844916,CC1=C(CN2C=CC(OCCC3=CC=CS3)=CC2=O)C=CC=C1N,"InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3",YCLREGRRHGLOAK-UHFFFAOYSA-N
DB12348,2349-67-9,"5-amino-1,3,4-thiadiazole-2-thiol",investigational,,,,,,,,ZINC000016382868,CHEMBL372507,50165743,,,2723847,NC1=NN=C(S)S1,"InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)",GDGIVSREGUOIJZ-UHFFFAOYSA-N
DB12349,867153-61-5,Dulanermin,investigational,,,,,,,,,,,,,,,,
DB12350,156722-18-8,Rostafuroxin,investigational,,,,,PA166129554,E4R,,ZINC000003802462,CHEMBL2068971,,ROSTAFUROXIN,,153976,C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@]2(O)C1=COC=C1,"InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1",AEAPORIZZWBIEX-DTBDINHYSA-N
DB12351,100345-64-0,Siagoside,investigational,,,,,,,,,CHEMBL3989560,,,141641,91617599,[H][C@]1(O[C@@]2(C[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]3CO)[C@@H]1OC2=O)[C@H](O)[C@H](O)CO,"InChI=1S/C73H129N3O30/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-96-69-61(94)59(92)62(50(39-80)99-69)101-71-67-66(106-73(72(95)104-67)35-46(85)53(74-42(3)82)65(105-73)55(88)47(86)36-77)63(51(40-81)100-71)102-68-54(75-43(4)83)64(57(90)49(38-79)97-68)103-70-60(93)58(91)56(89)48(37-78)98-70/h31,33,44-51,53-71,77-81,84-86,88-94H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68-,69+,70-,71-,73-/m0/s1",WVHBJHLTCHODOA-MYYVOHNDSA-N
DB12352,129655-21-6,Bizelesin,investigational,,,,,,,,ZINC000085536995,CHEMBL284642,,U 77779,,60794,CC1=CNC2=C(O)C=C3N(C[C@@H](CCl)C3=C12)C(=O)C1=CC2=CC(NC(=O)NC3=CC=C4NC(=CC4=C3)C(=O)N3C[C@@H](CCl)C4=C5C(C)=CNC5=C(O)C=C34)=CC=C2N1,"InChI=1S/C43H36Cl2N8O5/c1-19-15-46-39-33(54)11-31-37(35(19)39)23(13-44)17-52(31)41(56)29-9-21-7-25(3-5-27(21)50-29)48-43(58)49-26-4-6-28-22(8-26)10-30(51-28)42(57)53-18-24(14-45)38-32(53)12-34(55)40-36(38)20(2)16-47-40/h3-12,15-16,23-24,46-47,50-51,54-55H,13-14,17-18H2,1-2H3,(H2,48,49,58)/t23-,24-/m1/s1",FONKWHRXTPJODV-DNQXCXABSA-N
DB12353,548486-59-5,Ulodesine,investigational,,,,,,,,,CHEMBL269864,22109,R-3421,,135449518,OC[C@H]1CN(CC2=CNC3=C2N=CNC3=O)C[C@@H]1O,"InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1",AFNHHLILYQEHKK-BDAKNGLRSA-N
DB12354,395683-14-4,Imrecoxib,investigational,,,,,,,5250,ZINC000003938664,CHEMBL504535,50293282,IMRECOXIB,,11682175,CCCN1CC(=C(C1=O)C1=CC=C(C)C=C1)C1=CC=C(C=C1)S(C)(=O)=O,"InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3",AXMZZGKKZDJGAZ-UHFFFAOYSA-N
DB12355,155488-25-8,Netazepide,investigational,,,,,,,,ZINC000003810905,CHEMBL324547,50056102,YF-476,,9870520,CNC1=CC(NC(=O)N[C@@H]2N=C(C3=CC=CC=N3)C3=CC=CC=C3N(CC(=O)C(C)(C)C)C2=O)=CC=C1,"InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1",YDZYKNJZCVIKPP-VWLOTQADSA-N
DB12356,1357158-22-5,Fletikumab,investigational,,,,,,,,,,,,,,,,
DB12357,1169558-38-6,BMS-863233,investigational,,,,,,0SX,,ZINC000084668615,CHEMBL2030402,50383714,,189662,135564632,[H][C@]1(CCCN1)C1=NC2=C(OC3=C2C=C(Cl)C=C3)C(=O)N1,"InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1",JJWLXRKVUJDJKG-VIFPVBQESA-N
DB12358,6606-65-1,Enbucrilate,investigational,,,,,,,3056,ZINC000002033854,CHEMBL2104251,,N-BUTYL CYANOACRYLATE,134778,23087,CCCCOC(=O)C(=C)C#N,"InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3",JJJFUHOGVZWXNQ-UHFFFAOYSA-N
DB12359,848695-25-0,BIIB021,investigational,,,,,,94M,,ZINC000014974583,CHEMBL467399,20800,BIIB 021,90687,16736529,COC1=C(C)C=NC(CN2C=NC3=C(Cl)N=C(N)N=C23)=C1C,"InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)",QULDDKSCVCJTPV-UHFFFAOYSA-N
DB12360,935840-35-0,PF-03654764,investigational,,,,,,,,ZINC000101589629,CHEMBL2206292,50401002,PF-03654764,,,CC(C)CNC(=O)[C@H]1C[C@](F)(C1)C1=CC(F)=C(CN2CCCC2)C=C1,"InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-",DJRDLCHHQYHQQK-UKIBZPOASA-N
DB12361,182415-09-4,Piclozotan,investigational,,,,,,,,,CHEMBL345237,50097342,PICLOZOTAN,,9801640,ClC1=COC2=CC=CC=C2C(=O)N1CCCCN1CCC(=CC1)C1=CC=CC=N1,"InChI=1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2",URMTUEWUIGOJBW-UHFFFAOYSA-N
DB12362,3148-72-9,Diaminopropanol tetraacetic acid,"['approved', 'investigational']",,,,1659205,,,,ZINC000003861209,,,,,18465,OC(CN(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O,"InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)",WYMDDFRYORANCC-UHFFFAOYSA-N
DB12363,1204390-13-5,Dusigitumab,investigational,,,,,,,,,,,,,,,,
DB12364,330942-05-7,Betrixaban,"['approved', 'investigational']","['26170684', '25673997', '18096568', '19297154', '23487517']",B01AF04,,1927851,,,5241,ZINC000030691754,CHEMBL512351,50249298,PRT054021,140421,10275777,COC1=CC=C(NC(=O)C2=CC=C(C=C2)C(=N)N(C)C)C(=C1)C(=O)NC1=CC=C(Cl)C=N1,"InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)",XHOLNRLADUSQLD-UHFFFAOYSA-N
DB12365,144912-63-0,Perzinfotel,investigational,,,,,,,,ZINC000026496985,CHEMBL452461,86494,PERZINFOTEL,177764,6918236,OP(O)(=O)CCN1CCCNC2=C1C(=O)C2=O,"InChI=1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)",BDABGOLMYNHHTR-UHFFFAOYSA-N
DB12366,1638194-78-1,Vestronidase alfa,"['approved', 'investigational']","['23777470', '15323223']",A16AB18,,1989818,,,,,,,,,,,,
DB12367,912574-69-7,Selurampanel,investigational,,,,,,,,ZINC000116796247,CHEMBL3545042,,SELURAMPANEL,,45381907,CC(C)C1=C(C=C2C(NC(=O)N(NS(C)(=O)=O)C2=O)=C1)C1=CC=NN1C,"InChI=1S/C16H19N5O4S/c1-9(2)10-8-13-12(7-11(10)14-5-6-17-20(14)3)15(22)21(16(23)18-13)19-26(4,24)25/h5-9,19H,1-4H3,(H,18,23)",MCECSFFXUPEPDB-UHFFFAOYSA-N
DB12368,1227163-84-9,AZD-3839,investigational,,,,,,32D,,ZINC000068205977,CHEMBL2177913,50398264,AZD3839,,46202416,NC1=N[C@@](C2=CC=CC(F)=C12)(C1=CC=CC(=C1)C1=CN=CN=C1)C1=CC=NC(=C1)C(F)F,"InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1",MRXBCEQZNKUUIP-DEOSSOPVSA-N
DB12369,425637-18-9,Sotrastaurin,investigational,,,,,,LW4,,ZINC000003973984,CHEMBL565612,33971,SOTRASTAURIN ACETATE,90531,10296883,CN1CCN(CC1)C1=NC(C2=C(C(=O)NC2=O)C2=CNC3=C2C=CC=C3)=C2C=CC=CC2=N1,"InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)",OAVGBZOFDPFGPJ-UHFFFAOYSA-N
DB12370,170851-70-4,Ipamorelin,investigational,,,,,,,,ZINC000029562299,CHEMBL58547,,IPAMORELIN,,9831659,CC(C)(N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(N)=O,"InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1",NEHWBYHLYZGBNO-BVEPWEIPSA-N
DB12371,1230487-00-9,Siponimod,"['approved', 'investigational']","['30517042', '24597601', '26424391', '16549044', '28367411']",L04AA42,,2121085,,,,ZINC000006717453,CHEMBL2336071,50428142,SIPONIMOD,,44599207,CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F,"InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+",KIHYPELVXPAIDH-HNSNBQBZSA-N
DB12373,1357527-05-9,Isunakinra,investigational,,,,,,,,,,,,,,,,
DB12374,1492823-75-2,Velmanase alfa,"['approved', 'investigational']",,A16AB15,,,,,,,,,,,,,,
DB12375,778576-62-8,Oglemilast,investigational,,,,,,,,ZINC000072266998,CHEMBL4297520,,OGLEMILAST,,11387409,CS(=O)(=O)NC1=CC2=C(OC3=C2C(=CC=C3OC(F)F)C(=O)NC2=C(Cl)C=NC=C2Cl)C=C1,"InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)",OKFDRAHPFKMAJH-UHFFFAOYSA-N
DB12376,1316214-52-4,Ricolinostat,investigational,,,,,,AH4,,ZINC000089630354,CHEMBL2364628,50439674,RICOLINOSTAT,95073,53340666,ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)",QGZYDVAGYRLSKP-UHFFFAOYSA-N
DB12377,1174018-99-5,Relebactam,"['approved', 'investigational']","['29230684', '29530851', '29914955', '28303449', '27642504', '29311084', '29610205', '30589457']",,,2268500,,,5342,ZINC000043206319,CHEMBL3112741,1858,MK-7655,,121301826,OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NC2CCNCC2)C1=O,"InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1",SMOBCLHAZXOKDQ-ZJUUUORDSA-N
DB12378,197904-84-0,Apricoxib,investigational,,,,,,,,,CHEMBL1835207,,TG-01,,9820073,CCOC1=CC=C(C=C1)C1=CC(C)=CN1C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C19H20N2O3S/c1-3-24-17-8-4-15(5-9-17)19-12-14(2)13-21(19)16-6-10-18(11-7-16)25(20,22)23/h4-13H,3H2,1-2H3,(H2,20,22,23)",JTMITOKKUMVWRT-UHFFFAOYSA-N
DB12379,479-41-4,Indirubin,investigational,,,,,,,,ZINC000100015416,CHEMBL259664,50349806,,,,O=C1NC2=C(C=CC=C2)\C1=C1/NC2=C(C=CC=C2)C1=O,"InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13+",CRDNMYFJWFXOCH-BUHFOSPRSA-N
DB12380,873652-48-3,GDC-0152,investigational,,,,,,,,ZINC000084654490,CHEMBL2063869,50388975,GDC-0152,,46940575,CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC1=C(N=NS1)C1=CC=CC=C1,"InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1",WZRFLSDVFPIXOV-LRQRDZAKSA-N
DB12381,1206799-15-6,Merestinib,investigational,,,,,,L1X,,ZINC000095926668,CHEMBL3545307,50172078,LY-2801653,,44603533,CN1N=CC2=CC(OC3=C(F)C=C(NC(=O)C4=CC=C(C)N(C4=O)C4=CC=C(F)C=C4)C=C3)=C(C=C12)C1=CNN=C1,"InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)",QHADVLVFMKEIIP-UHFFFAOYSA-N
DB12382,604769-01-9,R-306465,investigational,,,,,,,,ZINC000003818418,CHEMBL609583,50304782,R306465,,10309899,ONC(=O)C1=CN=C(N=C1)N1CCN(CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1,"InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)",MUTBJZVSRNUIHA-UHFFFAOYSA-N
DB12383,32387-56-7,Cytochlor,investigational,,,,,,,,ZINC000017142058,CHEMBL4297275,,CYTOCHLOR,,100802,NC1=NC(=O)N(C=C1Cl)[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1",NGGRGTWYSXYVDK-RRKCRQDMSA-N
DB12384,220913-32-6,AR-67,investigational,,,,,,,,ZINC000170020689,CHEMBL412309,,DB 67,,6712744,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=CC1=C3[Si](C)(C)C(C)(C)C)C2=O,"InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1",XUSKJHCMMWAAHV-SANMLTNESA-N
DB12385,19685-09-7,10-hydroxycamptothecin,investigational,,,,,,,,ZINC000003979155,CHEMBL273862,50008922,HYDROXYCAMPTOTHECIN,81395,97226,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=CC1=C3)C2=O,"InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1",HAWSQZCWOQZXHI-FQEVSTJZSA-N
DB12386,,Bacillus calmette-guerin substrain danish 1331 live antigen,investigational,,,,,,,,,,,,,,,,
DB12387,936890-98-1,OSI-027,investigational,,,,,,,,,CHEMBL3120215,,CERC 006,,,COC1=C2NC(=CC2=CC=C1)C1=C2N(N=CN=C2N)C(=N1)[C@H]1CC[C@@H](CC1)C(O)=O,"InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)/t11-,12-",JROFGZPOBKIAEW-HAQNSBGRSA-N
DB12388,870964-67-3,Evocalcet,investigational,,,,,,H43,5307,,CHEMBL4297621,,KHK-7580,,71242808,C[C@@H](N[C@H]1CCN(C1)C1=CC=C(CC(O)=O)C=C1)C1=C2C=CC=CC2=CC=C1,"InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1",RZNUIYPHQFXBAN-XLIONFOSSA-N
DB12389,1080028-80-3,Zamicastat,investigational,,,,,,,,,CHEMBL4594440,,ZAMICASTAT,,25052630,FC1=CC(F)=C2OC[C@@H](CC2=C1)N1C(=S)NC=C1CCNCC1=CC=CC=C1,"InChI=1S/C21H21F2N3OS/c22-16-8-15-9-18(13-27-20(15)19(23)10-16)26-17(12-25-21(26)28)6-7-24-11-14-4-2-1-3-5-14/h1-5,8,10,12,18,24H,6-7,9,11,13H2,(H,25,28)/t18-/m1/s1",ZSSLCFLHEFXANG-GOSISDBHSA-N
DB12390,851528-79-5,Seladelpar,investigational,,,,,,,,ZINC000028704627,CHEMBL230158,50213714,MBX-8025,,11236126,CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC1=CC=C(OCC(O)=O)C(C)=C1,"InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1",JWHYSEDOYMYMNM-QGZVFWFLSA-N
DB12391,305841-29-6,Sagopilone,investigational,"['16732719', '17656562', '17006870', '17405891']",,,,,,,ZINC000003964449,CHEMBL2304041,,ZK-EPO,177512,11284169,C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](CC=C)[C@H]1O)C1=CC=C2SC(C)=NC2=C1,"InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1",BFZKMNSQCNVFGM-UCEYFQQTSA-N
DB12392,864814-88-0,Resminostat,investigational,,,,,,P7D,,ZINC000013983495,CHEMBL4296717,50506236,RESMINOSTAT,,11609955,CN(C)CC1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NO)=C1,"InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+",FECGNJPYVFEKOD-VMPITWQZSA-N
DB12393,161605-73-8,Fanapanel,investigational,,,,,,ZK1,,ZINC000002004553,CHEMBL19892,50099458,ZK-200775,,208953,OP(O)(=O)CN1C(=O)C(=O)NC2=C1C=C(N1CCOCC1)C(=C2)C(F)(F)F,"InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)",WZMQMKNCWDCCMT-UHFFFAOYSA-N
DB12394,1443211-72-0,Eleclazine,investigational,,,,,,,,ZINC000206191652,CHEMBL3707392,,ELECLAZINE,,71183216,FC(F)(F)OC1=CC=C(C=C1)C1=CC=C2OCCN(CC3=NC=CC=N3)C(=O)C2=C1,"InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2",YNUAEEJQYHYLMS-UHFFFAOYSA-N
DB12395,98819-76-2,Esreboxetine,investigational,,,,,PA144614921,,,ZINC000000006923,CHEMBL180101,35226,PNU-165442G,125535,65856,[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1,"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1",CBQGYUDMJHNJBX-OALUTQOASA-N
DB12396,948564-73-6,Fresolimumab,investigational,,,,,,,,,,,,,,,,
DB12397,1282041-94-4,DSM-265,investigational,,,,,,D65,,ZINC000073311109,CHEMBL1956285,50365230,DSM-265,,51347395,CC1=NC2=NC(=NN2C(NC2=CC=C(C=C2)S(F)(F)(F)(F)F)=C1)C(C)(F)F,"InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3",OIZSVTOIBNSVOS-UHFFFAOYSA-N
DB12398,385800-16-8,Naproxen etemesil,investigational,,,,,,,,ZINC000034005963,CHEMBL2105683,,LT-NS001,,25170420,COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(=O)OCCS(C)(=O)=O,"InChI=1S/C17H20O5S/c1-12(17(18)22-8-9-23(3,19)20)13-4-5-15-11-16(21-2)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m0/s1",JGBUBSOKFSVXKS-LBPRGKRZSA-N
DB12399,301692-76-2,Polmacoxib,investigational,,M01AH07,,,,949,5240,ZINC000000589683,CHEMBL166863,50474760,POLMACOXIB,,9841854,CC1(C)OC(=C(C1=O)C1=CC=CC(F)=C1)C1=CC=C(C=C1)S(N)(=O)=O,"InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)",IJWPAFMIFNSIGD-UHFFFAOYSA-N
DB12400,934493-76-2,Voxtalisib,investigational,,,,,,,,ZINC000035308805,CHEMBL3545366,50519385,SAR-245409,124914,16123056,CCN1C(=O)C(=CC2=C(C)N=C(N)N=C12)C1=CC=NN1,"InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)",RGHYDLZMTYDBDT-UHFFFAOYSA-N
DB12401,10457-90-6,Bromperidol,"['approved', 'investigational']",,N05AD06,,19777,,,407,ZINC000000601270,CHEMBL28218,81484,IMPROMEN,31305,2448,OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Br)C=C1,"InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",RKLNONIVDFXQRX-UHFFFAOYSA-N
DB12402,153062-94-3,Pumosetrag,investigational,,,,,,,,ZINC000000016869,CHEMBL1643880,50334438,PUMOSETRAG,,154104,O=C(N[C@H]1CN2CCC1CC2)C1=CNC2=C(SC=C2)C1=O,"InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1",AFUWQWYPPZFWCO-LBPRGKRZSA-N
DB12403,7440-19-9,Samarium,investigational,,,,9549,,,,,,,,33374,23951,[Sm],InChI=1S/Sm,KZUNJOHGWZRPMI-UHFFFAOYSA-N
DB12404,308242-62-8,Remimazolam,"['approved', 'investigational']","['19625797', '31037028', '23038269', '32530892', '25191193']",N05CD14,,2383941,,,5400,ZINC000003927450,CHEMBL4297526,,ONO-2745,,9867812,COC(=O)CC[C@@H]1N=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N2C(C)=CN=C12,"InChI=1S/C21H19BrN4O2/c1-13-12-24-21-17(7-9-19(27)28-2)25-20(16-5-3-4-10-23-16)15-11-14(22)6-8-18(15)26(13)21/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1",CYHWMBVXXDIZNZ-KRWDZBQOSA-N
DB12405,35943-35-2,Triciribine,investigational,,,,,,ZJB,,ZINC000003808299,CHEMBL331237,50369528,,65310,65399,CN1N=C(N)C2=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C3=C2C1=NC=N3,"InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1",HOGVTUZUJGHKPL-HTVVRFAVSA-N
DB12406,100324-81-0,Lisofylline,investigational,,,,,,,,ZINC000001887263,CHEMBL1411,,LISOFYLLINE,143527,501254,C[C@@H](O)CCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,"InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1",NSMXQKNUPPXBRG-SECBINFHSA-N
DB12407,136949-58-1,Iobitridol,"['approved', 'investigational']",,V08AB11,D01181,87639,,,1449,,CHEMBL2107212,,IOBITRIDOL,31701,65985,CN(CC(O)CO)C(=O)C1=C(I)C(C(=O)N(C)CC(O)CO)=C(I)C(NC(=O)C(CO)CO)=C1I,"InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)",YLPBXIKWXNRACS-UHFFFAOYSA-N
DB12408,931409-24-4,PF-03635659,investigational,,,,,,,,,CHEMBL1910856,50355622,PF-03635659,,16065403,CC(C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)N1CC(C1)OC1=CC=CC(O)=C1,"InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)",WGOJWDWKHJHXSV-UHFFFAOYSA-N
DB12409,897936-89-9,Vatreptacog alfa,investigational,,,,,,,,,,,,,,,,
DB12410,211100-13-9,Sabarubicin,investigational,,,,,,44D,,,CHEMBL1230227,,SABARUBICIN,,151897,[H][C@]1(N)C[C@]([H])(O[C@]2([H])[C@]([H])(C)O[C@]([H])(C[C@]2([H])O)O[C@@]2([H])C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=CC=CC=C2C4=O)C(=O)CO)O[C@@]([H])(C)[C@@]1([H])O,"InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1",VQHRZZISQVWPLK-UIRGBLDSSA-N
DB12411,1037624-75-1,Bemcentinib,investigational,,,,,,,,ZINC000051951669,CHEMBL3809489,50172079,BGB324,,46215462,NC1=NC(NC2=CC=C3CC[C@@H](CCC3=C2)N2CCCC2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2,"InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1",KXMZDGSRSGHMMK-VWLOTQADSA-N
DB12412,911637-19-9,Gemigliptin,investigational,,"['A10BD18', 'A10BH06', 'A10BH52']",,,,,4833,ZINC000068245464,CHEMBL3707235,,LC-15-0444,134731,11953153,N[C@H](CN1CC(F)(F)CCC1=O)CC(=O)N1CCC2=C(C1)N=C(N=C2C(F)(F)F)C(F)(F)F,"InChI=1S/C18H19F8N5O2/c19-16(20)3-1-12(32)31(8-16)6-9(27)5-13(33)30-4-2-10-11(7-30)28-15(18(24,25)26)29-14(10)17(21,22)23/h9H,1-8,27H2/t9-/m0/s1",ZWPRRQZNBDYKLH-VIFPVBQESA-N
DB12413,1514889-12-3,Indusatumab vedotin,investigational,,,,,,,,,,,,,,,,
DB12414,403989-79-7,Usistapide,investigational,,,,,,,,ZINC000068199989,,,,,56842069,COC(=O)[C@H](N1CCC(CC1)C1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C=C1)C1=CC=CC=C1,"InChI=1S/C34H31F3N2O3/c1-42-33(41)31(26-7-3-2-4-8-26)39-21-19-24(20-22-39)23-13-17-28(18-14-23)38-32(40)30-10-6-5-9-29(30)25-11-15-27(16-12-25)34(35,36)37/h2-18,24,31H,19-22H2,1H3,(H,38,40)/t31-/m1/s1",WSYALRNYQFNNGP-WJOKGBTCSA-N
DB12415,851983-85-2,Galeterone,investigational,,,,,,TOK,,ZINC000006718442,CHEMBL2105738,50435990,TOK-001,177536,11188409,[H][C@@]12CC=C(N3C=NC4=CC=CC=C34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C,"InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1",PAFKTGFSEFKSQG-PAASFTFBSA-N
DB12416,942142-51-0,VTP-27999,investigational,,,,,,RX5,,ZINC000035328520,CHEMBL1276678,50382334,VTP-27999,,16126898,[H][C@]1(CCCN(C1)C(=O)NC[C@H](C[C@H]1CCCOC1)NC)[C@@H](OCCNC(=O)OC)C1=CC=CC(Cl)=C1,"InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1",NXWASIVXQMMPLM-ZXMXYHOLSA-N
DB12417,739366-20-2,Anagliptin,investigational,,,,,,SKK,4896,ZINC000070647144,CHEMBL1929396,50359366,ANAGLIPTIN,136043,44513473,CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N,"InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1",LDXYBEHACFJIEL-HNNXBMFYSA-N
DB12418,81-07-2,Saccharin,investigational,,,,9509,,LSA,,ZINC000002560357,CHEMBL310671,29278,SACCHARIN,32111,5143,O=C1NS(=O)(=O)C2=C1C=CC=C2,"InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)",CVHZOJJKTDOEJC-UHFFFAOYSA-N
DB12419,946396-92-5,HSD-016,investigational,,,,,,,,,CHEMBL4297286,,HSD-016,,16721125,C[C@@H]1CN(CCN1S(=O)(=O)C1=CC=CC(=C1)[C@@](C)(O)C(F)(F)F)C1=CC=C(F)C=C1C(F)(F)F,"InChI=1S/C21H21F7N2O3S/c1-13-12-29(18-7-6-15(22)11-17(18)20(23,24)25)8-9-30(13)34(32,33)16-5-3-4-14(10-16)19(2,31)21(26,27)28/h3-7,10-11,13,31H,8-9,12H2,1-2H3/t13-,19-/m1/s1",ZWASRJHIEFYJGL-BFUOFWGJSA-N
DB12420,733035-26-2,Diazepinomicin,investigational,17622531,,,,,,,ZINC000003938687,CHEMBL550961,50481798,DIAZEPINOMICIN,156321,9868980,CC(C)=CCC\C(C)=C\CC\C(C)=C\CN1C2=CC(O)=CC(O)=C2NC2=C(C=CC=C2O)C1=O,"InChI=1S/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+",SALVHVNECODMJP-GNUCVDFRSA-N
DB12421,1448335-08-7,Somavaratan,investigational,,,,,,,,,,,,,,,,
DB12422,142825-10-3,Sulforaphane,investigational,,,,,,,,ZINC000002557133,CHEMBL128136,,,47808,9577379,C[S@@](=O)CCCCN=C=S,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m1/s1",SUVMJBTUFCVSAD-SNVBAGLBSA-N
DB12423,141790-23-0,Fozivudine Tidoxil,investigational,,,,,,,,,CHEMBL3989603,,FOZIVUDINE TIDOXIL,,64140,CCCCCCCCCCCCSCC(COP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])N1C=C(C)C(=O)NC1=O)OCCCCCCCCCC,"InChI=1S/C35H64N5O8PS/c1-4-6-8-10-12-14-15-17-19-21-23-50-28-30(45-22-20-18-16-13-11-9-7-5-2)26-46-49(43,44)47-27-32-31(38-39-36)24-33(48-32)40-25-29(3)34(41)37-35(40)42/h25,30-33H,4-24,26-28H2,1-3H3,(H,43,44)(H,37,41,42)/t30?,31-,32+,33+/m0/s1",IBHARWXWOCPXCR-WELGVCPWSA-N
DB12424,957118-49-9,MK-3207,investigational,,,,,,,,ZINC000043203371,CHEMBL1910936,50356282,MK3207,,25019940,FC1=CC(=CC(F)=C1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)NC1=CC=C2C[C@]3(CC2=C1)C(=O)NC1=C3C=CC=N1,"InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1",AZAANWYREOQRFB-SETSBSEESA-N
DB12425,20196-64-9,Liothyronine I-131,investigational,,,,,,,,ZINC000150340615,CHEMBL2106622,,,,23724940,N[C@@H](CC1=CC([131I])=C(OC2=CC([131I])=C(O)C=C2)C([131I])=C1)C(O)=O,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1/i16+4,17+4,18+4",AUYYCJSJGJYCDS-UMVFHIKJSA-N
DB12426,845614-11-1,Bitopertin,investigational,,,,,,,,ZINC000053294258,CHEMBL1171829,50322423,BITOPERTIN,,24946690,C[C@H](OC1=CC=C(C=C1C(=O)N1CCN(CC1)C1=C(F)C=C(C=N1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F,"InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1",YUUGYIUSCYNSQR-LBPRGKRZSA-N
DB12427,579475-18-6,Orvepitant,investigational,,,,,,,,ZINC000056898864,CHEMBL2105667,50442585,GW823296B,,9852175,C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN2[C@@H](CCC2=O)C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1",XWNBGDJPEXZSQM-VZOBGQTKSA-N
DB12428,1005168-10-4,PAC-14028,investigational,,,,,,,,,,,,,56649347,CCCC1=C(\C=C\C(=O)N[C@H](C)C2=CC(F)=C(NS(C)(=O)=O)C(F)=C2)C=CC(=N1)C(F)(F)F,"InChI=1S/C21H22F5N3O3S/c1-4-5-17-13(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12(2)14-10-15(22)20(16(23)11-14)29-33(3,31)32/h6-12,29H,4-5H2,1-3H3,(H,27,30)/b9-7+/t12-/m1/s1",UKGJZDSUJSPAJL-YPUOHESYSA-N
DB12429,212631-79-3,CI-1040,investigational,,,,,,,,ZINC000001489691,CHEMBL105442,50132260,CI-1040,91353,6918454,FC1=C(F)C(NC2=CC=C(I)C=C2Cl)=C(C=C1)C(=O)NOCC1CC1,"InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)",GFMMXOIFOQCCGU-UHFFFAOYSA-N
DB12431,148641-02-5,Muplestim,investigational,,,,1311225,,,,,,,,,,,,
DB12432,395104-30-0,CC-401,investigational,,,,,,,,ZINC000038836256,CHEMBL1614713,492908,CC-401,91437,10430360,C(CN1CCCCC1)OC1=CC=CC(=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1,"InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)",XDJCLCLBSGGNKS-UHFFFAOYSA-N
DB12433,915210-50-3,SCH-900271,investigational,,,,,,,,ZINC000096902468,CHEMBL2036958,50384612,SCH 900271,,56950369,CC1(CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3)CC1,"InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)",ARJKMWXLIHZLQZ-UHFFFAOYSA-N
DB12434,41093-60-1,Steviolbioside,"['approved', 'investigational']",,,,,,JC6,,,,,,145030,16401639,C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O,"InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1",OMHUCGDTACNQEX-OSHKXICASA-N
DB12435,125961-82-2,Tipelukast,investigational,,,,,,,,ZINC000003796820,CHEMBL2104988,,MN-001,177735,9893228,CCCC1=C(O)C(=CC=C1SCCCOC1=C(CCC)C(OCCCC(O)=O)=C(C=C1)C(C)=O)C(C)=O,"InChI=1S/C29H38O7S/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)",KPWYNAGOBXLMSE-UHFFFAOYSA-N
DB12436,168266-90-8,Vofopitant,investigational,,,,,,,,,CHEMBL522302,50408664,GR205171,,6918331,COC1=CC=C(C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1)N1N=NN=C1C(F)(F)F,"InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1",XILNRORTJVDYRH-HKUYNNGSSA-N
DB12438,632325-71-4,Filociclovir,investigational,,,,,,,,ZINC000027651900,CHEMBL265948,50330328,ZSM-I62,,135409256,NC1=NC2=C(N=CN2\C=C2\CC2(CO)CO)C(=O)N1,"InChI=1S/C11H13N5O3/c12-10-14-8-7(9(19)15-10)13-5-16(8)2-6-1-11(6,3-17)4-18/h2,5,17-18H,1,3-4H2,(H3,12,14,15,19)/b6-2-",KMUNHOKTIVSFRA-KXFIGUGUSA-N
DB12439,1095110-48-7,Ioforminol,investigational,,,,,,,,,CHEMBL2219417,,GE-145,,25222171,OCC(O)CNC(=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(N(CC(O)CN(C=O)C2=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C2I)C=O)=C1I,"InChI=1S/C33H40I6N6O15/c34-22-18(30(57)40-1-13(52)7-46)24(36)28(25(37)19(22)31(58)41-2-14(53)8-47)44(11-50)5-17(56)6-45(12-51)29-26(38)20(32(59)42-3-15(54)9-48)23(35)21(27(29)39)33(60)43-4-16(55)10-49/h11-17,46-49,52-56H,1-10H2,(H,40,57)(H,41,58)(H,42,59)(H,43,60)",BFVVDRUCXCIALU-UHFFFAOYSA-N
DB12440,890655-80-8,Verdiperstat,investigational,,,,,,W4Y,,,CHEMBL4297594,50503707,BHV-3241,,11528958,CC(C)OCCN1C2=C(NC=C2)C(=O)NC1=S,"InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)",FVJCUZCRPIMVLB-UHFFFAOYSA-N
DB12441,263251-78-1,Tavilermide,investigational,,,,,,,,ZINC000136639443,CHEMBL3544981,,MIM-D3,,9808372,NCCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)C2=C(OCC[C@H](NC1=O)C(=O)NCC(O)=O)C=CC(=C2)[N+]([O-])=O,"InChI=1S/C24H32N6O11/c25-9-2-1-3-15-23(37)29-17(22(36)26-12-20(33)34)8-10-41-18-6-4-13(30(39)40)11-14(18)21(35)27-16(24(38)28-15)5-7-19(31)32/h4,6,11,15-17H,1-3,5,7-10,12,25H2,(H,26,36)(H,27,35)(H,28,38)(H,29,37)(H,31,32)(H,33,34)/t15-,16-,17-/m0/s1",DVJXNXPFYJIACK-ULQDDVLXSA-N
DB12442,467214-20-6,Alvespimycin,investigational,"['19945858', '21278242', '18635747', '23293352', '25920748', '24471734']",,,,,KOS,,ZINC000100030312,CHEMBL383824,50005781,BMS-826476,65324,5288674,CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O,"InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1",KUFRQPKVAWMTJO-LMZWQJSESA-N
DB12443,131865-88-8,Sonedenoson,investigational,,,,,,,,ZINC000003966398,CHEMBL1950553,50364043,MRE0094,,9910098,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC(OCCC2=CC=C(Cl)C=C2)=N1,"InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1",WUCQGGOGHZRELS-LSCFUAHRSA-N
DB12444,3081-61-6,Theanine,investigational,,,,38022,,85G,,ZINC000001532828,CHEMBL3039113,,L-THEANINE,58128,439378,CCNC(=O)CC[C@H](N)C(O)=O,"InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1",DATAGRPVKZEWHA-YFKPBYRVSA-N
DB12445,175033-36-0,Nitroaspirin,investigational,"['12846439', '12738997']",,,,,,,ZINC000000022315,CHEMBL374385,,NCX-4016,125482,119032,CC(=O)OC1=CC=CC=C1C(=O)OC1=CC=CC(CO[N+]([O-])=O)=C1,"InChI=1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3",IOJUJUOXKXMJNF-UHFFFAOYSA-N
DB12446,251945-92-3,Derenofylline,investigational,,,,,,,,,CHEMBL4204703,,,,,O[C@H]1CC[C@@H](CC1)NC1=C2C=CNC2=NC(=N1)C1=CC=CC=C1,"InChI=1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)/t13-,14-",RBZNJGHIKXAKQE-HDJSIYSDSA-N
DB12447,124858-35-1,Nadifloxacin,investigational,,D10AF05,,,,,1864,,CHEMBL363449,50475222,OPC-7251,31889,4410,CC1CCC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCC(O)CC1,"InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)",JYJTVFIEFKZWCJ-UHFFFAOYSA-N
DB12448,96609-16-4,Lifibrol,investigational,,,,,,,,,CHEMBL2105019,,K 12148,191250,57112,CC(C)(C)C1=CC=C(CCC(O)COC2=CC=C(C=C2)C(O)=O)C=C1,"InChI=1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24)",LNXBEIZREVRNTF-UHFFFAOYSA-N
DB12449,2226-96-2,Tempol,investigational,,,,,,,,ZINC000100004133,CHEMBL607023,50238660,MBM-02,180664,137994,CC1(C)CC(O)CC(C)(C)N1[O],"InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3",UZFMOKQJFYMBGY-UHFFFAOYSA-N
DB12450,121-79-9,Propyl Gallate,investigational,,,,1311134,,,,ZINC000001532172,CHEMBL7983,50032154,PROPYL GALLATE,10607,4947,CCCOC(=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3",ZTHYODDOHIVTJV-UHFFFAOYSA-N
DB12451,210759-10-7,SCY-635,investigational,,,,,,,,,CHEMBL1269597,50136473,,,6479267,CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(C)C)N(C)C1=O)C(C)C,"InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65-/m1/s1",AQHMBDAHQGYLIU-XNFHFXFQSA-N
DB12452,111-87-5,Caprylic alcohol,investigational,,,,1487826,,OC9,,ZINC000001532735,CHEMBL26215,,,16188,957,CCCCCCCCO,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",KBPLFHHGFOOTCA-UHFFFAOYSA-N
DB12453,10049-04-4,Chlorine dioxide,investigational,,,,20799,,,,,,,,29415,24870,O=[Cl]=O,InChI=1S/ClO2/c2-1-3,OSVXSBDYLRYLIG-UHFFFAOYSA-N
DB12454,308359-57-1,Zalypsis,investigational,,,,,,,,,CHEMBL4297453,,PM00104,,16061448,COC1=C(O)C2=C(C[C@H]3[C@H](O)N4[C@@H](CC5=C([C@@H]4CNC(=O)\C=C\C4=CC=CC(=C4)C(F)(F)F)C4=C(OCO4)C(C)=C5OC(C)=O)[C@@H]2N3C)C=C1C,"InChI=1S/C37H38F3N3O8/c1-17-11-21-13-25-36(47)43-24(30(42(25)4)28(21)31(46)32(17)48-5)14-23-29(35-34(49-16-50-35)18(2)33(23)51-19(3)44)26(43)15-41-27(45)10-9-20-7-6-8-22(12-20)37(38,39)40/h6-12,24-26,30,36,46-47H,13-16H2,1-5H3,(H,41,45)/b10-9+/t24-,25-,26-,30-,36-/m0/s1",VPAHZSUNBOYNQY-DLVGLDQCSA-N
DB12455,389139-89-3,Omadacycline,"['approved', 'investigational']","['27539539', '30290000', '24041885', '27469981', '27669321']","['J01AA20', 'J01AA15']",,2059269,,,5299,ZINC000004836283,CHEMBL1689772,,PTK 0796,,,[H][C@@]12CC3=C(C=C(CNCC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C,"InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1",JEECQCWWSTZDCK-IQZGDKDPSA-N
DB12456,1407495-02-6,Bococizumab,investigational,,,,,,,,,,,,,,,,
DB12457,1289023-67-1,Rimegepant,"['approved', 'investigational']","['31081399', '30475090', '31291516', '26650258']",,,2282307,,,5381,ZINC000068267814,CHEMBL2178422,50400098,RIMEGEPANT,,51049968,N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)N2C(=O)NC3=NC=CC=C23)C2=C1C=CC=N2)C1=C(F)C(F)=CC=C1,"InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1",KRNAOFGYEFKHPB-ANJVHQHFSA-N
DB12458,2763-96-4,Muscimol,investigational,,,,,,,,ZINC000022064260,CHEMBL273481,23183,MUSCIMOL,7035,12313010,NCC1=CC(=O)NO1,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)",ZJQHPWUVQPJPQT-UHFFFAOYSA-N
DB12459,256411-32-2,Belotecan,investigational,,L01XX68,,,,,296,ZINC000003826691,CHEMBL2111084,,BELOTECAN HYDROCHLORIDE,135702,6456014,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3CCNC(C)C)C2=O,"InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1",LNHWXBUNXOXMRL-VWLOTQADSA-N
DB12460,1227158-72-6,Conbercept,investigational,,,,,,,,,,,,,,,,
DB12461,1215085-92-9,GLPG-0492,investigational,,,,,,,,ZINC000095571779,CHEMBL2178100,,,,59317190,CN1C(=O)N(C(=O)[C@@]1(CO)C1=CC=CC=C1)C1=CC=C(C#N)C(=C1)C(F)(F)F,"InChI=1S/C19H14F3N3O3/c1-24-17(28)25(14-8-7-12(10-23)15(9-14)19(20,21)22)16(27)18(24,11-26)13-5-3-2-4-6-13/h2-9,26H,11H2,1H3/t18-/m1/s1",VAJGULUVTFDTAS-GOSISDBHSA-N
DB12462,1187856-49-0,Ralinepag,investigational,,,,,,,,,CHEMBL3301604,50235385,APD-811,,,OC(=O)COC[C@H]1CC[C@H](COC(=O)N(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1,"InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-",NPDKXVKJRHPDQT-IYARVYRRSA-N
DB12463,425386-60-3,Semagacestat,investigational,,,,,,ESF,,ZINC000003989041,CHEMBL520733,28944,LY450139,131158,9843750,CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C2=CC=CC=C2CCN(C)C1=O,"InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1",PKXWXXPNHIWQHW-RCBQFDQVSA-N
DB12464,676500-67-7,Bevenopran,investigational,,,,,,,,ZINC000038896576,CHEMBL3039511,,BEVENOPRAN,177636,10452732,COC1=CC(CNCCC2CCOCC2)=CC=C1OC1=CN=C(C=N1)C(N)=O,"InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)",ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
DB12465,74050-98-9,Ketanserin,investigational,,C02KD01,,6131,,,1524,ZINC000000537877,CHEMBL51,21395,KETANSERIN,6123,3822,FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1,"InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)",FPCCSQOGAWCVBH-UHFFFAOYSA-N
DB12466,259793-96-9,Favipiravir,"['approved', 'investigational']","['17606691', '28979293', '15728892', '25544306', '17194832', '26798032', '29524445', '30724789', '27339134', '29439438', '29882740', '18328578', '18220789', '28231247', '28769016', '11897578']",J05AX27,,,,,4887,ZINC000013915654,CHEMBL221722,429507,AVIGAN,134722,492405,NC(=O)C1=NC(F)=CN=C1O,"InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)",ZCGNOVWYSGBHAU-UHFFFAOYSA-N
DB12467,1310907-71-1,TU-100,investigational,,,,,,,,,CHEMBL4297331,,TU100,,72942015,CN1C2C3=C(C1C1=CC=CC=C1C2=O)C(=O)C1=CC=CC=C1C3=O,"InChI=1S/C20H13NO3/c1-21-16-10-6-2-3-7-11(10)20(24)17(21)15-14(16)18(22)12-8-4-5-9-13(12)19(15)23/h2-9,16-17H,1H3",KAYRGFYBCCETPE-UHFFFAOYSA-N
DB12468,1079400-07-9,Pf-04531083,investigational,,,,,,,,,CHEMBL3589904,50095311,,,57582353,COC1=CC=C(Cl)C(=C1)C1=CC=C(NC(=O)C2=CC=NN2C)N=C1N,"InChI=1S/C17H16ClN5O2/c1-23-14(7-8-20-23)17(24)22-15-6-4-11(16(19)21-15)12-9-10(25-2)3-5-13(12)18/h3-9H,1-2H3,(H3,19,21,22,24)",ZRJGMDIPCQOGNI-UHFFFAOYSA-N
DB12470,134379-77-4,Dexelvucitabine,investigational,,,,,,,,ZINC000000002300,CHEMBL109831,,INCB-8721,,64973,NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](CO)C=C1,"InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1",HSBKFSPNDWWPSL-CAHLUQPWSA-N
DB12471,1207753-03-4,Ibrexafungerp,"['approved', 'investigational']","['30885896', '16835448', '28137806', '30051576', '29947477', '26190298', '21787240', '32854252']",,,2560213,,,5462,,CHEMBL4297513,,MK 3118,,46871657,[H][C@]12CC[C@@]3([H])[C@@]4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)(C)C)N3N=CN=C3C3=CC=NC=C3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C,"InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1",BODYFEUFKHPRCK-ZCZMVWJSSA-N
DB12472,99291-25-5,Levodropropizine,investigational,,R05DB27,,52014,,,1568,ZINC000019594545,CHEMBL1288810,,LEVOPRONT,82722,65859,[H][C@@](O)(CO)CN1CCN(CC1)C1=CC=CC=C1,"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1",PTVWPYVOOKLBCG-ZDUSSCGKSA-N
DB12473,19388-87-5,Taurolidine,"['approved', 'investigational']",,B05CA05,,,,,2568,ZINC000019322537,CHEMBL2105420,,TAUROLIDINE,135173,29566,O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1,"InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2",AJKIRUJIDFJUKJ-UHFFFAOYSA-N
DB12474,52-76-6,Lynestrenol,"['approved', 'investigational']",,"['G03FA07', 'G03AC02', 'G03AA03', 'G03FB02', 'G03DC03', 'G03AB02']",,6529,,,1620,ZINC000003875355,CHEMBL2107431,,LYNESTRENOL,31790,5857,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,"InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",YNVGQYHLRCDXFQ-XGXHKTLJSA-N
DB12475,792-74-5,Biphenyl dimethyl dicarboxylate,investigational,,,,,,,,ZINC000000132343,CHEMBL4297409,,NISSEL,,13099,COC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OC,"InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3",BKRIRZXWWALTPU-UHFFFAOYSA-N
DB12476,532959-63-0,CPG-52852,investigational,,,,,,,,,CHEMBL549344,50425233,,,10309114,CCC1=NC2=C(N1CCCCNS(C)(=O)=O)C1=CC=CC=C1N=C2N,"InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)",YZOQZEXYFLXNKA-UHFFFAOYSA-N
DB12477,84808-64-0,Perfluoro tert-butylcyclohexane,investigational,,,,,,,,ZINC000059270596,CHEMBL4297413,,OXYCYTE,,15710945,FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,"InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15",VLTXBOGHSBHSAC-UHFFFAOYSA-N
DB12478,3605-01-4,Piribedil,investigational,,N04BC08,,8353,,,2202,ZINC000019537374,CHEMBL1371770,85092,ET-495,92833,4850,C(N1CCN(CC1)C1=NC=CC=N1)C1=CC2=C(OCO2)C=C1,"InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2",OQDPVLVUJFGPGQ-UHFFFAOYSA-N
DB12479,219680-11-2,Zabofloxacin,investigational,,,,,,,5249,,,,,,54556623,CON=C1CN(CC11CNC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=N1)C(O)=O,"InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)",ZNPOCLHDJCAZAH-UHFFFAOYSA-N
DB12480,472-15-1,Betulinic Acid,"['approved', 'investigational']",,,,,,,,ZINC000004097714,CHEMBL269277,23208,ALS-357,3087,64971,[H]OC(=O)[C@]12CC[C@@]([H])(C(C)=C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@@]4(C)CC[C@]([H])(O[H])C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",QGJZLNKBHJESQX-FZFNOLFKSA-N
DB12481,7440-39-3,Barium,investigational,,,,1311067,,,,,,,,,,[Ba],InChI=1S/Ba,DSAJWYNOEDNPEQ-UHFFFAOYSA-N
DB12482,185106-16-5,Acotiamide,investigational,,,,,,,4908,ZINC000002002237,CHEMBL2107723,,YM443,34523,5282338,COC1=C(OC)C=C(C(=O)NC2=NC(=CS2)C(=O)NCCN(C(C)C)C(C)C)C(O)=C1,"InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)",TWHZNAUBXFZMCA-UHFFFAOYSA-N
DB12483,1032568-63-0,Copanlisib,"['approved', 'investigational']",27672108,L01XX61,,1945077,,6E2,5256,ZINC000068247389,CHEMBL3218576,50204093,BAY-80-6946 DIHYDROCHLORIDE,173077,,COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21,"InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)",PZBCKZWLPGJMAO-UHFFFAOYSA-N
DB12484,18771-50-1,Tetrahydrouridine,investigational,,,,,,,,,CHEMBL2311128,50421666,,,29243,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O,"InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1",UCKYOOZPSJFJIZ-XVKVHKPRSA-N
DB12485,70132-50-2,Pimonidazole,investigational,,,,,,,,,CHEMBL58752,,RO 03-8799,,50981,OC(CN1C=CN=C1[N+]([O-])=O)CN1CCCCC1,"InChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2",WVWOOAYQYLJEFD-UHFFFAOYSA-N
DB12486,439087-18-0,Elobixibat,investigational,,,,,,,5277,,CHEMBL3039515,77088,A3309,,9939892,CCCCC1(CCCC)CN(C2=CC=CC=C2)C2=CC(SC)=C(OCC(=O)N[C@@H](C(=O)NCC(O)=O)C3=CC=CC=C3)C=C2S(=O)(=O)C1,"InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1",XFLQIRAKKLNXRQ-UUWRZZSWSA-N
DB12487,39219-28-8,Promestriene,investigational,,G03CA09,,34625,,,4023,ZINC000001999256,CHEMBL2105394,,PROMESTRIENE,135402,9883915,[H][C@@]12CC[C@H](OC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OCCC)C=C3,"InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1",IUWKNLFTJBHTSD-AANPDWTMSA-N
DB12489,1453084-37-1,Mirvetuximab Soravtansine,investigational,,,,,,,,,,,,,,,,
DB12490,497156-60-2,Forigerimod,investigational,,,,,,,,,,,,,,,,
DB12491,1000413-72-8,Fasiglifam,investigational,,,,,,2YB,,ZINC000068208039,CHEMBL1829174,50386790,FASIGLIFAM,177451,24857286,CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC=CC(COC2=CC=C3[C@H](CC(O)=O)COC3=C2)=C1,"InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1",BZCALJIHZVNMGJ-HSZRJFAPSA-N
DB12492,302-41-0,Piritramide,"['approved', 'investigational']",,N02AC03,,8354,,,3478,ZINC000000538198,CHEMBL559288,,PIRITRAMIDE,135699,9331,NC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)N1CCCCC1,"InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)",IHEHEFLXQFOQJO-UHFFFAOYSA-N
DB12493,444088-20-4,PD-217014,investigational,,,,,,,,,CHEMBL4297414,,PD-217014,,,COC(=O)C[C@@]1(CN)C[C@@H]2CC[C@@H]2C1,"InChI=1S/C11H19NO2/c1-14-10(13)6-11(7-12)4-8-2-3-9(8)5-11/h8-9H,2-7,12H2,1H3/t8-,9+,11+",ASBDKEXHKWHAPE-JZYVYDRUSA-N
DB12494,1025065-69-3,SGI-1776,investigational,,,,,,,,ZINC000068205235,CHEMBL1952329,50364776,SGI-1776,95061,24795070,CN1CCC(CNC2=NN3C(C=C2)=NC=C3C2=CC=CC(OC(F)(F)F)=C2)CC1,"InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)",MHXGEROHKGDZGO-UHFFFAOYSA-N
DB12495,876296-47-8,Selepressin,investigational,,,,,,,,,CHEMBL1817709,50350870,SELEPRESSIN,,53330936,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O,"InChI=1S/C46H73N13O11S2/c1-5-26(4)38-45(69)54-30(14-9-17-35(48)60)41(65)56-32(21-36(49)61)42(66)57-33(24-72-71-23-28(47)39(63)55-31(43(67)58-38)20-27-12-7-6-8-13-27)46(70)59-19-11-16-34(59)44(68)53-29(15-10-18-51-25(2)3)40(64)52-22-37(50)62/h6-8,12-13,25-26,28-34,38,51H,5,9-11,14-24,47H2,1-4H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,52,64)(H,53,68)(H,54,69)(H,55,63)(H,56,65)(H,57,66)(H,58,67)/t26-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1",JCVQBJTWWDYUFQ-MRUTUVJXSA-N
DB12497,393121-34-1,Alagebrium,investigational,,,,,,,,ZINC000003916477,CHEMBL2111081,,ALT-711,,216305,CC1=C(C)[N+](CC(=O)C2=CC=CC=C2)=CS1,"InChI=1S/C13H14NOS/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3/q+1",LYLFQLCLUXOFOL-UHFFFAOYSA-N
DB12498,1159266-37-1,Mogamulizumab,"['approved', 'investigational']","['28649848', '22699226', '29414279', '28597329', '25376389', '25792728']",L01XC25,,2054077,,,,,,,,,,,,
DB12499,19608-29-8,Clascoterone,"['approved', 'investigational']","['26082583', '30811143', '32320027', '32348828', '31141847', '31251549', '31357203']",,,2474340,,,5410,ZINC000006716459,CHEMBL3590187,,CLASCOTERONE,,11750009,[H][C@@]12CC[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1",GPNHMOZDMYNCPO-PDUMRIMRSA-N
DB12500,936091-26-8,Fedratinib,"['approved', 'investigational']","['27136912', '24165976', '27473820', '21220608', '26181658', '26357842']",L01XE57,,2197490,,2TA,5347,ZINC000019862646,CHEMBL1287853,50332294,SAR-302503,91408,16722836,CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C,"InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)",JOOXLOJCABQBSG-UHFFFAOYSA-N
DB12501,868623-40-9,ABT-384,investigational,,,,,,,,,,,,,,CC(C)(N1CCN(CC1)C1=NC=C(C=C1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@@](C3)(C2)C(N)=O,"InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)/t15?,16?,17?,20-,24+",CLHMYBJIOZXCEX-MALZWFGSSA-N
DB12504,1142363-52-7,JNJ-40346527,investigational,,,,,,,,,CHEMBL3674570,98634,JNJ-40346527,,25230468,CC1(C)CCC(=CC1)C1=C(NC(=O)C2=NC=C(N2)C#N)C=CC(=N1)C1CC(C)(C)OC(C)(C)C1,"InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)",BNVPFDRNGHMRJS-UHFFFAOYSA-N
DB12505,289483-69-8,E-7820,investigational,,,,,,O6M,,ZINC000000008704,CHEMBL4297376,,E-7820,,196970,CC1=C2C(=CNC2=C(NS(=O)(=O)C2=CC=CC(=C2)C#N)C=C1)C#N,"InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3",LWGUASZLXHYWIV-UHFFFAOYSA-N
DB12506,5467-78-7,Fenamole,investigational,,,,,,,,ZINC000016970473,CHEMBL2106224,,,,21640,NC1=NN=NN1C1=CC=CC=C1,"InChI=1S/C7H7N5/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,8,9,11)",ULIDRMKBVYYVIQ-UHFFFAOYSA-N
DB12507,433937-93-0,Atecegatran metoxil,investigational,,,,,,,,,CHEMBL4297593,,AZD-0837,,11648954,CO\N=C(/N)C1=CC=C(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)C2=CC(OC(F)F)=CC(Cl)=C2)C=C1,"InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1",XSNMGLZVFNDDPW-ZWKOTPCHSA-N
DB12508,630100-90-2,E7107,investigational,,,,,,9B0,,ZINC000096179269,CHEMBL4297278,36359,E7107,,16202132,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(CC2)C2CCCCCC2)\C=C\[C@@H]1C,"InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1",MNOMBFWMICHMKG-MGYWSNOQSA-N
DB12509,775351-65-0,Imeglimin,investigational,,,,,,,,ZINC000034380900,CHEMBL4297514,,IMEGLIMIN,,24812808,C[C@@H]1NC(N)=NC(=N1)N(C)C,"InChI=1S/C6H13N5/c1-4-8-5(7)10-6(9-4)11(2)3/h4H,1-3H3,(H3,7,8,9,10)/t4-/m1/s1",GFICWFZTBXUVIG-SCSAIBSYSA-N
DB12510,10028-15-6,Ozone,investigational,,,,2289011,,,,,CHEMBL2447938,,OZONE,25812,24823,[O-][O+]=O,InChI=1S/O3/c1-3-2,CBENFWSGALASAD-UHFFFAOYSA-N
DB12511,250601-04-8,Imiglitazar,investigational,,,,,,,,ZINC000049756486,CHEMBL592054,50309072,TAK-559,,9890879,CC1=C(COC2=CC=C(CO\N=C(/CCC(O)=O)C3=CC=CC=C3)C=C2)N=C(O1)C1=CC=CC=C1,"InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+",ULVDFHLHKNJICZ-QCWLDUFUSA-N
DB12512,885220-61-1,Verucerfont,investigational,,,,,,,,ZINC000034661169,CHEMBL1287935,50417503,VERUCERFONT,,11596613,CC[C@H](NC1=CC(C)=NC2=C(C(C)=NN12)C1=CC=C(OC)C=C1C)C1=NC(C)=NO1,"InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1",VKHVAUKFLBBZFJ-SFHVURJKSA-N
DB12513,1474034-05-3,Omaveloxolone,investigational,,,,,,,,ZINC000144682962,CHEMBL4303525,,OMAVELOXOLONE,,71811910,CC(F)(F)C(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,"InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1",RJCWBNBKOKFWNY-IDPLTSGASA-N
DB12514,949575-24-0,Iofolastat I-123,investigational,,,,,,,,ZINC000100529249,CHEMBL496978,,,,25194767,OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCC1=CC=C([123I])C=C1)C(O)=O)C(O)=O,"InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1/i20-4",OXUUJYOSVPMNKP-ZANJDRPYSA-N
DB12515,91421-43-1,9-aminocamptothecin,investigational,,,,,,,,ZINC000037866089,CHEMBL274070,50008936,9-AMINOCAMPTOTHECIN,80755,72402,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(N)C1=C3)C2=O,"InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1",FUXVKZWTXQUGMW-FQEVSTJZSA-N
DB12517,862281-92-3,PF-00446687,investigational,,,,,,,,ZINC000101338048,CHEMBL1090488,50315692,PF-00446687,,,C[C@H]1CN(C[C@@H](C)[C@]1(O)C1=CC=CC=C1)C(=O)[C@@H]1CN(C[C@H]1C1=CC=C(F)C=C1F)C(C)(C)C,"InChI=1S/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/m0/s1",WHPJOAUPIZDJNX-AGGGUQDCSA-N
DB12518,84225-95-6,Raclopride,investigational,,,,,,,,ZINC000025757754,CHEMBL8809,50005118,RACLOPRIDE,92070,3033769,CCN1CCC[C@H]1CNC(=O)C1=C(O)C(Cl)=CC(Cl)=C1OC,"InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1",WAOQONBSWFLFPE-VIFPVBQESA-N
DB12519,107-97-1,Sarcosine,investigational,,,,1362906,,SAR,,ZINC000004658561,CHEMBL304383,50017225,SARCOSINE,57433,1088,CNCC(O)=O,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",FSYKKLYZXJSNPZ-UHFFFAOYSA-N
DB12520,1610761-46-0,Plozalizumab,investigational,,,,,,,,,,,,,,,,
DB12521,872-50-4,Methyl pyrrolidone,investigational,,,,1305552,,MB3,,ZINC000003860621,CHEMBL12543,50353587,METHYLPYRROLIDONE,7307,13387,CN1CCCC1=O,"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",SECXISVLQFMRJM-UHFFFAOYSA-N
DB12522,952494-46-1,Toreforant,investigational,,,,,,,,,CHEMBL3301609,,JNJ-38518168,,23650961,CN1CCC(CCCNC2=NC=C(C3=NC4=C(C)C=C(C)C=C4N3)C(C)=N2)CC1,"InChI=1S/C23H32N6/c1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18/h12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26)",FCRFVPZAXGJLPW-UHFFFAOYSA-N
DB12523,108612-45-9,Mizolastine,"['approved', 'investigational']",,R06AX25,,61455,PA166129535,,1824,ZINC000013831810,CHEMBL94454,22877,MIZOLASTINE,31857,65906,CN(C1CCN(CC1)C1=NC2=C(C=CC=C2)N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1,"InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)",PVLJETXTTWAYEW-UHFFFAOYSA-N
DB12524,1093108-50-9,BI-671800,investigational,,,,,,,,ZINC000006717478,CHEMBL551813,50296978,BI671800,,45270144,CN(C)C1=NC(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C(F)(F)F)C=C2)=NC(N(C)C)=C1CC(O)=O,"InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)",XEOSTBFUCNZKGS-UHFFFAOYSA-N
DB12525,99283-10-0,Molgramostim,investigational,,L03AA03,,70161,,,,,,,,,,,,
DB12526,743461-65-6,Batefenterol,investigational,,,,,,,,ZINC000096941866,CHEMBL3039518,50084437,BATEFENTEROL,,10372836,COC1=CC(NC(=O)CCN2CCC(CC2)OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)=C(Cl)C=C1CNC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1,"InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1",URWYQGVSPQJGGB-DHUJRADRSA-N
DB12527,799279-80-4,Sofinicline,investigational,,,,,,,,ZINC000028866069,CHEMBL238465,50224483,ABT-894,,10131048,ClC1=C(Cl)N=CC(=C1)N1C[C@@H]2CN[C@@H]2C1,"InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1",MBQYQLWSBRANKQ-IMTBSYHQSA-N
DB12528,2752-99-0,Glyceryl Trierucate,investigational,,,,,,,,,CHEMBL4297655,,GLYCERYL TRIERUCATE,,5463075,CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,"InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-",XDSPGKDYYRNYJI-IUPFWZBJSA-N
DB12529,14797-65-0,Nitrite,"['approved', 'investigational']",,,,1546424,,NO2,,,,26989,,16301,946,[O-]N=O,"InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1",IOVCWXUNBOPUCH-UHFFFAOYSA-M
DB12530,1299440-37-1,Inebilizumab,"['approved', 'investigational']","['28385199', '27163209', '20605905', '30530071', '31495497', '27267753', '29143550', '26606525']",,,2373951,,,,,,,,,,,,
DB12531,127759-89-1,Lobucavir,investigational,,,,,,,,ZINC000003781393,CHEMBL23550,,LOBUCAVIR,,135413519,NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)[C@H]2CO)C(=O)N1,"InChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)7-1-5(2-17)6(7)3-18/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7-/m1/s1",GWFOVSGRNGAGDL-FSDSQADBSA-N
DB12532,126-27-2,Oxetacaine,"['approved', 'investigational']","['8935718', '28867721', '14079039']",C05AD06,,,,,3407,ZINC000003874585,CHEMBL127592,50017672,OXETHAZAINE,31947,4621,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1=CC=CC=C1)C(C)(C)CC1=CC=CC=C1,"InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3",FTLDJPRFCGDUFH-UHFFFAOYSA-N
DB12533,849550-05-6,Cevipabulin,investigational,,,,,,G2X,,ZINC000013981125,CHEMBL1182714,,CEVIPABULIN,,11488110,CNCCCOC1=CC(F)=C(C(F)=C1)C1=C(N[C@@H](C)C(F)(F)F)N2N=CN=C2N=C1Cl,"InChI=1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1",ZUZPCOQWSYNWLU-VIFPVBQESA-N
DB12534,1085337-57-0,Mavrilimumab,investigational,,,,,,,,,,,,,,,,
DB12535,1241914-87-3,AC-430,investigational,,,,,,,,,CHEMBL3545241,,AC-430,,46892373,CC1=CC(NC2=NC(=NC3=CC=CC=C23)C(O)C2=CC=C(F)C=C2)=NN1,"InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)",DCRWIATZWHLIPN-UHFFFAOYSA-N
DB12536,3615-17-6,N-acetylmannosamine,investigational,,,,,,MN9,,ZINC000002020190,,,,17122,65150,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(NC(C)=O)C=O,"InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1",MBLBDJOUHNCFQT-WCTZXXKLSA-N
DB12537,264-60-8,"1,2-Benzodiazepine","['approved', 'investigational']",,,,,,,,,CHEMBL4297264,,,,134664,N1N=CC=CC2=CC=CC=C12,"InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H",SVUOLADPCWQTTE-UHFFFAOYSA-N
DB12538,183747-35-5,Nepadutant,investigational,,,,,,,,ZINC000169676912,CHEMBL1908318,,NEPADUTANT,,9876321,CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)NC1=O)C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2,"InChI=1S/C45H58N10O13/c1-21(2)13-27-39(62)53-31(17-35(59)55-45-36(48-22(3)57)38(61)37(60)33(20-56)68-45)43(66)52-30-16-34(58)47-19-32(44(67)49-27)54-40(63)28(14-23-9-5-4-6-10-23)50-41(64)29(51-42(30)65)15-24-18-46-26-12-8-7-11-25(24)26/h4-12,18,21,27-33,36-38,45-46,56,60-61H,13-17,19-20H2,1-3H3,(H,47,58)(H,48,57)(H,49,67)(H,50,64)(H,51,65)(H,52,66)(H,53,62)(H,54,63)(H,55,59)/t27-,28-,29-,30-,31-,32-,33+,36+,37+,38+,45+/m0/s1",NGCNKEZHGRXHNL-WVWQGFTISA-N
DB12539,64224-21-1,Oltipraz,investigational,,,,,,,,ZINC000000001852,CHEMBL178459,50418081,OLTIPRAZ,77319,47318,CC1=C(SSC1=S)C1=CN=CC=N1,"InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3",CKNAQFVBEHDJQV-UHFFFAOYSA-N
DB12540,434283-16-6,Lecozotan,investigational,,,,,,,,,CHEMBL372205,50166903,LECOZOTAN HYDROCHLORIDE,,10116877,C[C@H](CN(C(=O)C1=CC=C(C=C1)C#N)C1=CC=CC=N1)N1CCN(CC1)C1=CC=CC2=C1OCCO2,"InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1",NRPQELCNMADTOZ-OAQYLSRUSA-N
DB12541,1303607-60-4,SAR-405838,investigational,,,,,,7HC,,ZINC000145424989,CHEMBL2381408,50433561,SAR-405838,,,CC(C)(C)C[C@@H]1N[C@H]([C@H](C2=C(F)C(Cl)=CC=C2)[C@]11C(=O)NC2=C1C=CC(Cl)=C2)C(=O)N[C@H]1CC[C@H](O)CC1,"InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1",IDKAKZRYYDCJDU-HBMMIIHUSA-N
DB12542,720704-34-7,GSK-356278,investigational,,,,,,,,ZINC000038428932,CHEMBL4297384,,GSK356278,,10252640,CCN1N=CC2=C(NC3CCOCC3)C(=CN=C12)C1=NN=C(CC2=C(C)N=C(C)S2)O1,"InChI=1S/C21H25N7O2S/c1-4-28-20-15(11-23-28)19(25-14-5-7-29-8-6-14)16(10-22-20)21-27-26-18(30-21)9-17-12(2)24-13(3)31-17/h10-11,14H,4-9H2,1-3H3,(H,22,25)",AWDJJMXJUOHGLC-UHFFFAOYSA-N
DB12543,852626-89-2,Samidorphan,"['approved', 'investigational']","['30108159', '30845818', '31294646', '30348514', '19282177', '30921503', '15808478', '31523568', '31463821', '30476361']",,,2559612,,,5460,ZINC000028478244,CHEMBL426084,50165049,RDC-0313,177605,11667832,NC(=O)C1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)C2=C1O,"InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1",RYIDHLJADOKWFM-MAODMQOUSA-N
DB12545,63610-08-2,Indobufen,investigational,,B01AC10,,27518,,,1439,,CHEMBL1765292,,INDOBUFEN,135239,107641,CCC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O,"InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)",AYDXAULLCROVIT-UHFFFAOYSA-N
DB12547,1262036-50-9,LY-2886721,investigational,,,,,,3YS,,ZINC000070466423,CHEMBL2396989,50012647,LY2886721,,49837968,NC1=N[C@]2(COC[C@H]2CS1)C1=C(F)C=CC(NC(=O)C2=CC=C(F)C=N2)=C1,"InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1",NIDRNVHMMDAAIK-YPMLDQLKSA-N
DB12548,254740-64-2,Sparsentan,investigational,,,,,,,,,CHEMBL539423,50175523,PS-433540,,10257882,CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C(COCC)=C1)C1=CC=CC=C1S(=O)(=O)NC1=NOC(C)=C1C,"InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)",WRFHGDPIDHPWIQ-UHFFFAOYSA-N
DB12549,99009-20-8,Pyrazoloacridine,investigational,,,,,,,,ZINC000003778885,CHEMBL118841,,PYRAZOLOACRIDINE,,339455,COC1=CC=C2NC3=C4C(=CC=C3[N+]([O-])=O)N(CCCN(C)C)N=C4C2=C1,"InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3",HZCWPKGYTCJSEB-UHFFFAOYSA-N
DB12550,1258861-20-9,Taladegib,investigational,,,,,,1KS,,ZINC000068247898,CHEMBL2142592,50545020,TALADEGIB,,49848070,CN(C1CCN(CC1)C1=NN=C(C2=CC=NN2C)C2=CC=CC=C12)C(=O)C1=C(C=C(F)C=C1)C(F)(F)F,"InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3",SZBGQDXLNMELTB-UHFFFAOYSA-N
DB12551,79944-58-4,Idazoxan,investigational,,,,,,,,,CHEMBL10316,50019848,IDAZOXAN,5862,54459,C1CN=C(N1)C1COC2=CC=CC=C2O1,"InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)",HPMRFMKYPGXPEP-UHFFFAOYSA-N
DB12553,807-38-5,Fluocinolone,investigational,,,,25126,,,,ZINC000004097307,CHEMBL1201390,,FLUOCINOLONE,5108,91488,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,"InChI=1S/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3/t11-,12-,14-,15+,16-,18-,19-,20-,21-/m0/s1",UUOUOERPONYGOS-CLCRDYEYSA-N
DB12554,3625-06-7,Mebeverine,"['approved', 'investigational']",,A03AA04,,29410,,,1642,,CHEMBL282121,,MEBEVERINE HYDROCHLORIDE,91514,4031,CCN(CCCCOC(=O)C1=CC(OC)=C(OC)C=C1)C(C)CC1=CC=C(OC)C=C1,"InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3",VYVKHNNGDFVQGA-UHFFFAOYSA-N
DB12555,839713-36-9,Nelotanserin,investigational,,,,,,,,ZINC000038239930,CHEMBL598172,50324541,APD-125,177438,11683556,COC1=CC=C(NC(=O)NC2=CC=C(F)C=C2F)C=C1C1=C(Br)C=NN1C,"InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)",COSPVUFTLGQDQL-UHFFFAOYSA-N
DB12556,1010085-13-8,MK-5108,investigational,,,,,,5VC,,,CHEMBL3600873,50175305,,,,OC(=O)[C@@]1(CC2=CC=CC(NC3=NC=CS3)=N2)CC[C@@H](CC1)OC1=C(F)C(Cl)=CC=C1,"InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-",LCVIRAZGMYMNNT-VVONHTQRSA-N
DB12557,193012-35-0,FK-614,investigational,,,,,,,,,CHEMBL3545278,50469398,,,9869229,CCCCCS(=O)(=O)NC(=O)C1=CC=C2N=C(C)N(CC3=CC=C(Cl)C=C3Cl)C2=C1,"InChI=1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)",UYGZODVVDUIDDQ-UHFFFAOYSA-N
DB12558,497839-62-0,AEE-788,investigational,,,,,,AEE,,ZINC000022453679,CHEMBL587723,26105,AEE 788,40629,10297043,CCN1CCN(CC2=CC=C(C=C2)C2=CC3=C(N2)N=CN=C3N[C@H](C)C2=CC=CC=C2)CC1,"InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1",OONFNUWBHFSNBT-HXUWFJFHSA-N
DB12559,583037-91-6,EC-17,investigational,,,,,,,,ZINC000206179007,CHEMBL4297279,,EC-17,,135564966,NC(=O)CC[C@H](N(CCNC(=S)NC1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2)C(=O)C1=CC=C(NCC2=CN=C3N=C(N)NC(=O)C3=N2)C=C1)C(O)=O,"InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1",ZMTAPBHUSYTHBY-PMERELPUSA-N
DB12560,1132758-87-2,Blosozumab,investigational,,,,,,,,,,,,,,,,
DB12561,1243244-14-5,WNT-974,investigational,,,,,,,,ZINC000095930187,CHEMBL3188386,50133870,WNT974,78030,46926973,CC1=CC(=CC=N1)C1=NC=C(CC(=O)NC2=CC=C(C=N2)C2=CN=CC=N2)C=C1C,"InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)",XXYGTCZJJLTAGH-UHFFFAOYSA-N
DB12562,866460-33-5,Setipiprant,investigational,,,,,,,,ZINC000091291806,CHEMBL2386081,50434990,KYTH-105,177430,49843471,OC(=O)CN1C2=C(CN(CC2)C(=O)C2=CC=CC3=CC=CC=C23)C2=CC(F)=CC=C12,"InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)",IHAXLPDVOWLUOS-UHFFFAOYSA-N
DB12563,578727-68-1,MK-0686,investigational,,,,,,,,ZINC000028822397,CHEMBL232943,50202412,MK0686,,16102897,COC(=O)C1=C(Cl)C=CC=C1C1=CC=C([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)C(F)=C1,"InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1",WZZIQHIQMWJNLU-LLVKDONJSA-N
DB12564,210829-30-4,Gemcitabine elaidate,investigational,,,,,,,,ZINC000014208575,CHEMBL3039516,,GEMCITABINE ELAIDATE,177710,9828310,CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O,"InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1",HESSNRGIEVBPRB-QDDPNBLJSA-N
DB12565,783355-60-2,Abexinostat,investigational,16731764,,,,,,,ZINC000006716700,CHEMBL2103863,24622,S78454,92223,11749858,CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO,"InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)",MAUCONCHVWBMHK-UHFFFAOYSA-N
DB12566,944842-54-0,Decernotinib,investigational,,,,,,VJK,,ZINC000096941867,CHEMBL3039513,50021655,VX-509,,59422203,CC[C@@](C)(NC1=CC=NC(=N1)C1=CNC2=NC=CC=C12)C(=O)NCC(F)(F)F,"InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1",ASUGUQWIHMTFJL-QGZVFWFLSA-N
DB12567,923565-21-3,Camicinal,investigational,,,,,,,,ZINC000034850365,CHEMBL489095,50292978,GSK962040,177624,15984937,C[C@H]1CN(CC2=CC=C(CC(=O)N3CCC(CC3)NC3=CC=CC(F)=C3)C=C2)CCN1,"InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1",RZKDEGZIFSJVNA-IBGZPJMESA-N
DB12568,221214-84-2,Tecemotide,investigational,,,,,,,,,,,,,,,,
DB12569,340021-17-2,Tonapofylline,investigational,16187697,,,,,,,ZINC000000603777,CHEMBL414157,50199293,TONAPOFYLLINE,177398,216466,CCCN1C2=C(NC(=N2)C23CCC(CCC(O)=O)(CC2)CC3)C(=O)N(CCC)C1=O,"InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)",ZWTVVWUOTJRXKM-UHFFFAOYSA-N
DB12570,1228013-30-6,CC-223,investigational,,,,,,,,ZINC000114617828,CHEMBL3586404,50092783,ATG-008,,,CO[C@H]1CC[C@@H](CC1)N1C(=O)CNC2=C1N=C(C=N2)C1=CN=C(C=C1)C(C)(C)O,"InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15-",UFKLYTOEMRFKAD-SHTZXODSSA-N
DB12571,215174-50-8,Rimacalib,investigational,,,,,,,,,CHEMBL2107772,,SMP-114,,10157465,[H][C@@](C)(C1=NOC(NC(=N)N2CCOCC2)=C1)C1=CC=C(C(F)=C1)C1=CC=CC=C1,"InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25)/t15-/m0/s1",MYTIJGWONQOOLC-HNNXBMFYSA-N
DB12572,459856-18-9,Pexacerfont,investigational,,,,,,,,,CHEMBL482950,29490,PEXACERFONT,177416,9884366,CC[C@@H](C)NC1=NC(C)=NC2=C(C(C)=NN12)C1=CC=C(OC)N=C1C,"InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1",LBWQSAZEYIZZCE-SNVBAGLBSA-N
DB12573,1029692-15-6,LY-2452473,investigational,,,,,,,,ZINC000067802526,CHEMBL3542265,,LY2452473,,24963749,CC(C)OC(=O)N[C@@H]1CC2=C(C1)C1=CC(=CC=C1N2CC1=CC=CC=N1)C#N,"InChI=1S/C22H22N4O2/c1-14(2)28-22(27)25-17-10-19-18-9-15(12-23)6-7-20(18)26(21(19)11-17)13-16-5-3-4-8-24-16/h3-9,14,17H,10-11,13H2,1-2H3,(H,25,27)/t17-/m0/s1",IHIWYQYVBNODSV-KRWDZBQOSA-N
DB12574,150869-74-2,LY-295501,investigational,,,,,,,,,CHEMBL307177,,ILX-295501,,127737,ClC1=C(Cl)C=C(NC(=O)NS(=O)(=O)C2=CC=C3OCCC3=C2)C=C1,"InChI=1S/C15H12Cl2N2O4S/c16-12-3-1-10(8-13(12)17)18-15(20)19-24(21,22)11-2-4-14-9(7-11)5-6-23-14/h1-4,7-8H,5-6H2,(H2,18,19,20)",VAMFSFIPDOODFH-UHFFFAOYSA-N
DB12575,185243-78-1,Ronopterin,investigational,,,,,,4AB,,,CHEMBL1230245,,RONOPTERIN,,5287516,[H][C@@]1(CNC2=C(N1)C(N)=NC(N)=N2)[C@@H](O)[C@H](C)O,"InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)/t3-,4+,6-/m0/s1",NDSDGUULXHNXGA-RPDRRWSUSA-N
DB12576,579494-66-9,AZD-3043,investigational,,,,,,,,ZINC000038459154,CHEMBL3354350,,AZD 3043,,10286834,CCCOC(=O)CC1=CC=C(OCC(=O)N(CC)CC)C(OCC)=C1,"InChI=1S/C19H29NO5/c1-5-11-24-19(22)13-15-9-10-16(17(12-15)23-8-4)25-14-18(21)20(6-2)7-3/h9-10,12H,5-8,11,13-14H2,1-4H3",QPUVKSKJCNGSGT-UHFFFAOYSA-N
DB12577,222030-63-9,Fosbretabulin,investigational,,,,,,,,ZINC000001543513,CHEMBL1206232,,FOSBRETABULIN DISODIUM,,5351387,COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1OP(O)(O)=O,"InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/b6-5-",WDOGQTQEKVLZIJ-WAYWQWQTSA-N
DB12578,1390631-57-8,Lexaptepid pegol,investigational,,,,,,,,,,,,,,,,
DB12579,935776-74-2,JNJ-37822681,investigational,,,,,,,,ZINC000034951380,CHEMBL3234237,50003063,JNJ-37822681,,16058752,FC1=C(F)C=C(CN2CCC(CC2)NC2=CC=C(N=N2)C(F)(F)F)C=C1,"InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)",UVUYWJWYRLJHEN-UHFFFAOYSA-N
DB12580,622370-35-8,Tradipitant,investigational,,,,,,,,ZINC000043194077,CHEMBL3544984,,VLY-686,,9916461,FC(F)(F)C1=CC(=CC(CN2N=NC(=C2C2=CC=NC=C2)C2=NC=CC=C2C(=O)C2=CC=CC=C2Cl)=C1)C(F)(F)F,"InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2",CAVRKWRKTNINFF-UHFFFAOYSA-N
DB12581,295350-45-7,Ozarelix,investigational,,,,,,,,,,,,,25080293,[H]N=C(N([H])[H])N([H])CCC[C@H](N([H])C(=O)[C@H](CCCC)N([H])C(=O)[C@@H](CCCCN([H])C(=O)N([H])[H])N([H])C(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)N([H])C(=O)[C@@H](CC1=CN=CC=C1)N([H])C(=O)[C@@H](CC1=CC=C(Cl)C=C1)N([H])C(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)N([H])C(C)=O)C(=O)N1CCC[C@H]1C(=O)N([H])[C@H](C)C(=O)N([H])[H],"InChI=1S/C72H96ClN17O14/c1-5-6-17-52(63(96)85-54(19-12-33-79-71(75)76)70(103)90-34-13-20-59(90)67(100)81-42(2)61(74)94)83-62(95)53(18-9-10-32-80-72(77)104)84-68(101)60(39-45-24-29-51(93)30-25-45)89(4)69(102)58(41-91)88-66(99)57(38-47-14-11-31-78-40-47)87-65(98)56(36-44-22-27-50(73)28-23-44)86-64(97)55(82-43(3)92)37-46-21-26-48-15-7-8-16-49(48)35-46/h7-8,11,14-16,21-31,35,40,42,52-60,91,93H,5-6,9-10,12-13,17-20,32-34,36-39,41H2,1-4H3,(H2,74,94)(H,81,100)(H,82,92)(H,83,95)(H,84,101)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H4,75,76,79)(H3,77,80,104)/t42-,52+,53-,54+,55-,56-,57-,58+,59+,60+/m1/s1",KATZUZNTRINHDT-HALMFYTRSA-N
DB12582,94-62-2,Piperine,investigational,,,,1311146,,AYR,,ZINC000001529772,CHEMBL43185,50148573,PIPERINE,28821,638024,O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+",MXXWOMGUGJBKIW-YPCIICBESA-N
DB12583,9050-36-6,Maltodextrin,investigational,,,,1363050,,,,,,,,,,,,
DB12584,1356922-05-8,Bimagrumab,investigational,,,,,,,,,,,,,,,,
DB12585,676501-25-0,Ondelopran,investigational,,,,,,,,ZINC000038910715,CHEMBL2103878,,,,10457387,NC(=O)C1=CC=C(OC2=C(F)C=C(CNCCC3CCOCC3)C=C2)N=C1,"InChI=1S/C20H24FN3O3/c21-17-11-15(12-23-8-5-14-6-9-26-10-7-14)1-3-18(17)27-19-4-2-16(13-24-19)20(22)25/h1-4,11,13-14,23H,5-10,12H2,(H2,22,25)",QWNDOCKIKKQJNN-UHFFFAOYSA-N
DB12586,38390-45-3,Anhydrovinblastine,investigational,,,,,,,219,ZINC000095544807,,,,,11104750,CCC1=C[C@@H]2C[N@](C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=CC2=C(C=C1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC,"InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38-,39+,40+,43+,44+,45-,46-/m0/s1",FFRFGVHNKJYNOV-ZCIMLLHDSA-N
DB12587,426253-04-5,Razupenem,investigational,,,,,,,,ZINC000003986713,CHEMBL1256722,,SM-216601,,10993211,C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3=NC(=CS3)C3=C[C@H](C)NC3)=C(N2C1=O)C(O)=O,"InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1",XFGOMLIRJYURLQ-GOKYHWASSA-N
DB12588,935666-88-9,AZD-1480,investigational,,,,,,AZ5,,ZINC000058631551,CHEMBL1231124,50335201,AZD-1480,,16659841,C[C@H](NC1=NC=C(Cl)C(NC2=NNC(C)=C2)=N1)C1=NC=C(F)C=N1,"InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1",PDOQBOJDRPLBQU-QMMMGPOBSA-N
DB12589,880486-59-9,Dacetuzumab,investigational,15087402,,,,,,,,,,,,,,,
DB12590,325715-02-4,Indiplon,investigational,,,,,,,,ZINC000000538650,CHEMBL262075,86522,INDIPLON,188583,6450813,CN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1,"InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3",CBIAWPMZSFFRGN-UHFFFAOYSA-N
DB12591,1271022-90-2,BMS-911543,investigational,,,,,,50V,,ZINC000100468481,CHEMBL3545215,50122318,BMS-911543,,50922691,CCN1C(=CC2=C3N(C)C=NC3=C(NC3=NN(C)C(C)=C3)N=C12)C(=O)N(C1CC1)C1CC1,"InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)",JCINBYQJBYJGDM-UHFFFAOYSA-N
DB12592,221139-79-3,Mosedipimod,investigational,,,,,,,,,CHEMBL157366,,EC-18,,9960925,CCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,"InChI=1S/C39H70O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,37H,4-11,13,15-17,20-35H2,1-3H3/b14-12-,19-18-",GAKUNXBDVGLOFS-DUZKARGPSA-N
DB12593,114560-48-4,Apaziquone,investigational,,,,,,,,ZINC000001536777,CHEMBL73822,,EOQUIN,177558,5813717,CN1C(\C=C\CO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O,"InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+",MXPOCMVWFLDDLZ-NSCUHMNNSA-N
DB12594,345304-65-6,AZD-9056,investigational,,,,,,,,ZINC000034356159,CHEMBL3545108,50267791,AZD9056,,10161381,OCCCNCCCC1=CC(C(=O)NCC23CC4CC(CC(C4)C2)C3)=C(Cl)C=C1,"InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)",HSQAARMBHJCUOK-UHFFFAOYSA-N
DB12595,500992-11-0,Na-1,investigational,,,,,,,,,,,,,,,,
DB12596,82855-09-2,Combretastatin,investigational,,,,,,,,ZINC000001607492,CHEMBL246600,,COMBRETASTATIN,,9895264,COC1=CC=C(C[C@@H](O)C2=CC(OC)=C(OC)C(OC)=C2)C=C1O,"InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m1/s1",LGZKGOGODCLQHG-CYBMUJFWSA-N
DB12597,1492952-76-7,Asciminib,"['approved', 'investigational']","['32606014', '26729027', '31006307', '30137981', '33879198']",,,2584304,,AY7,,ZINC000150275965,CHEMBL4208229,50459091,ABL001,,72165228,O[C@@H]1CCN(C1)C1=C(C=C(C=N1)C(=O)NC1=CC=C(OC(F)(F)Cl)C=C1)C1=CC=NN1,"InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1",VOVZXURTCKPRDQ-CQSZACIVSA-N
DB12598,81525-10-2,Nafamostat,investigational,"['21786254', '25954127', '26717390', '24985053', '27668164', '27610041', '8012693']",,,,,,1867,ZINC000003874467,CHEMBL273264,50063698,NAFAMOSTAT DIMETHANESULFONATE,135466,4413,NC(=N)NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(N)=N,"InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)",MQQNFDZXWVTQEH-UHFFFAOYSA-N
DB12601,502632-66-8,Sonolisib,investigational,,,,,,,,ZINC000029134545,CHEMBL411907,,PX-866,65345,9849735,COC[C@H]1OC(=O)\C(=C\N(CC=C)CC=C)C2=C(O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C,"InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1",QIUASFSNWYMDFS-NILGECQDSA-N
DB12602,138661-02-6,Pentetreotide,"['approved', 'investigational']",,,,69893,,,,,,,,,72128,C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1,"InChI=1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+/m1/s1",CNLWNYCFDMAZCB-HUVROIHYSA-N
DB12604,32385-11-8,Sisomicin,investigational,,J01GB08,,9806,,SIS,2447,ZINC000056870809,CHEMBL221886,,SCH 13475,9169,36119,[H][C@@]1(N)CC=C(CN)O[C@]1([H])O[C@]1([H])[C@@]([H])(N)C[C@@]([H])(N)[C@]([H])(O[C@@]2([H])OC[C@](C)(O)[C@]([H])(NC)[C@@]2([H])O)[C@@]1([H])O,"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1",URWAJWIAIPFPJE-YFMIWBNJSA-N
DB12605,1593673-23-4,Etripamil,investigational,,,,,,,,ZINC000142261274,CHEMBL3707312,,MSP-2017,,91824132,COC(=O)C1=CC(CCN(C)CCC[C@](C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)=CC=C1,"InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1",VAZNEHLGJGSQEL-MHZLTWQESA-N
DB12606,84558-93-0,Netivudine,investigational,,,,,,,,ZINC000003794610,CHEMBL1097615,,NETIVUDINE,,55281,CC#CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)NC1=O,"InChI=1S/C12H14N2O6/c1-2-3-6-4-14(12(19)13-10(6)18)11-9(17)8(16)7(5-15)20-11/h4,7-9,11,15-17H,5H2,1H3,(H,13,18,19)/t7-,8-,9+,11-/m1/s1",QLOCVMVCRJOTTM-SDNRWEOFSA-N
DB12607,1393659-46-5,Diridavumab,investigational,,,,,,,,,,,,,,,,
DB12608,1141777-14-1,Emixustat,investigational,,,,,,A3V,,ZINC000059126886,CHEMBL2107821,323419,EMIXUSTAT HYDROCHLORIDE,,25221720,NCC[C@@H](O)C1=CC(OCC2CCCCC2)=CC=C1,"InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m1/s1",WJIGGYYSZBWCGC-MRXNPFEDSA-N
DB12609,1243266-04-7,Tovetumab,investigational,,,,,,,,,,,,,,,,
DB12610,60940-34-3,Ebselen,investigational,,,,,,,,,CHEMBL51085,34233,DR3305,77543,3194,O=C1N([Se]C2=CC=CC=C12)C1=CC=CC=C1,InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H,DYEFUKCXAQOFHX-UHFFFAOYSA-N
DB12611,952021-60-2,PF-477736,investigational,,,,,,9DB,,ZINC000100001820,CHEMBL3990456,,,,135565545,CN1C=C(C=N1)C1=C2C=NNC(=O)C3=C2C(N1)=CC(NC(=O)[C@H](N)C1CCCCC1)=C3,"InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,27H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1",NDEXUOWTGYUVGA-LJQANCHMSA-N
DB12612,1306760-87-1,Ozanimod,"['approved', 'investigational']","['29051788', '28367411', '29125718', '25075198', '28812220', '31492652', '28398597', '30043658']",L04AA38,,2288236,,JEU,5383,ZINC000116109867,CHEMBL3707247,50507186,RPC-1063 HCL,,52938427,CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CC[C@H](NCCO)C2=CC=C1)C#N,"InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1",XRVDGNKRPOAQTN-FQEVSTJZSA-N
DB12613,211439-12-2,Davunetide,investigational,,,,,,,,ZINC000085540112,CHEMBL2103826,,AL-108,177706,9832404,CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1",DWLTUUXCVGVRAV-XWRHUKJGSA-N
DB12614,266359-83-5,Reparixin,investigational,,,,,,,,ZINC000000008717,CHEMBL191413,50169045,REPARIXIN,177765,9838712,CC(C)CC1=CC=C(C=C1)[C@@H](C)C(=O)NS(C)(=O)=O,"InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1",KQDRVXQXKZXMHP-LLVKDONJSA-N
DB12615,1154757-24-0,Plazomicin,"['approved', 'investigational']","['29091226', '27919895', '19438282', '29091224', '26419762']",J01GB14,,2049549,,EDS,5287,ZINC000068150640,CHEMBL1650559,,ACHN-490,,42613186,CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H]2O)NC(=O)[C@@H](O)CCN)OC[C@]1(C)O,"InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1",IYDYFVUFSPQPPV-PEXOCOHZSA-N
DB12616,890058-52-3,Sprifermin,investigational,,,,,,,,,,,,,,,,
DB12617,50924-49-7,Mizoribine,investigational,,,,,,MZR,3363,ZINC000003812887,CHEMBL245019,68669,MIZORIBINE,31858,104762,NC(=O)C1=C(O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1",HZQDCMWJEBCWBR-UUOKFMHZSA-N
DB12618,498-02-2,Apocynin,investigational,,,,,,I75,,ZINC000000162515,CHEMBL346919,,APOCYNIN,2781,2214,COC1=C(O)C=CC(=C1)C(C)=O,"InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",DFYRUELUNQRZTB-UHFFFAOYSA-N
DB12619,172481-83-3,BMS-188797,investigational,,,,,,,,ZINC000169338351,CHEMBL1096237,,4-DESACETYLPACLITAXEL 4-METHYL CARBONATE,,6918494,COC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)C2=CC=CC=C2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C3=CC=CC=C3)C3=CC=CC=C3)C(C)=C([C@@H](OC(C)=O)C1=O)C2(C)C,"InChI=1S/C47H51NO15/c1-25-30(61-42(55)35(51)34(27-16-10-7-11-17-27)48-40(53)28-18-12-8-13-19-28)23-47(57)39(62-41(54)29-20-14-9-15-21-29)37-45(5,38(52)36(60-26(2)49)33(25)44(47,3)4)31(50)22-32-46(37,24-59-32)63-43(56)58-6/h7-21,30-32,34-37,39,50-51,57H,22-24H2,1-6H3,(H,48,53)/t30-,31-,32+,34-,35+,36+,37-,39-,45+,46-,47+/m0/s1",GMJWGJSDPOAZTP-MIDYMNAOSA-N
DB12620,9061-61-4,Nerve Growth Factor,investigational,,,,7327,,,,,,,,,,,,
DB12621,887603-94-3,ST-101,investigational,,,,,,,,ZINC000001491487,CHEMBL4297437,,ST101,,10220323,O=C1N=C2C=CC=CN2C11CC2=CC=CC=C2C1,"InChI=1S/C15H12N2O/c18-14-15(17-8-4-3-7-13(17)16-14)9-11-5-1-2-6-12(11)10-15/h1-8H,9-10H2",QZWYXEBIQWJXAR-UHFFFAOYSA-N
DB12622,545-47-1,Lupeol,investigational,,,,,,,,ZINC000004081455,CHEMBL289191,50377927,,6570,259846,[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",MQYXUWHLBZFQQO-QGTGJCAVSA-N
DB12623,752187-80-7,Taprenepag,investigational,,,,,,GNO,,ZINC000072266311,CHEMBL2107783,50016953,PF-04217329,,18376177,OC(=O)COC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=C1,"InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)",MFFBXYNKZHTCEY-UHFFFAOYSA-N
DB12624,71251-02-0,Octenidine,investigational,,"['R02AA21', 'D08AJ57', 'G01AX66']",,2119240,,,3394,ZINC000008214632,CHEMBL1199480,,LAS-189962,135826,51167,CCCCCCCCN=C1C=CN(CCCCCCCCCCN2C=CC(C=C2)=NCCCCCCCC)C=C1,"InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3",ZVXNYZWXUADSRV-UHFFFAOYSA-N
DB12625,1222102-29-5,Evogliptin,investigational,,"['A10BH07', 'A10BD22']",,,,8VU,5239,ZINC000068267685,CHEMBL1779710,50344779,DA1229,,25022354,CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F,"InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1",LCDDAGSJHKEABN-MLGOLLRUSA-N
DB12626,1290102-81-6,Senrebotase,investigational,,,,,,,,,,,,,,,,
DB12627,1032823-75-8,GSK-1292263,investigational,,,,,,,,ZINC000068208690,CHEMBL3187503,50463649,GSK-1292263,,24996872,CC(C)C1=NOC(=N1)N1CCC(COC2=CC=C(N=C2)C2=CC=C(C=C2)S(C)(=O)=O)CC1,"InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3",AYJRTVVIBJSSKN-UHFFFAOYSA-N
DB12628,50673-41-1,Methyl-D9-choline,investigational,,,,,,,,,CHEMBL4297301,,,,16213540,[2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H],"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1/i1D3,2D3,3D3",OEYIOHPDSNJKLS-GQALSZNTSA-N
DB12629,1158-10-7,"3,5-diiodothyropropionic acid",investigational,,,,,,,,ZINC000003972069,CHEMBL2348292,50431457,"3,5-DIIODOTHYROPROPIONIC ACID",134267,160565,OC(=O)CCC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1,"InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)",WONYMNWUJVKVII-UHFFFAOYSA-N
DB12630,19475-26-4,Isopentyl 2-cyanoacrylate,investigational,,,,,,,,,CHEMBL4297394,,,,29626,CC(C)CCOC(=O)C(=C)C#N,"InChI=1S/C9H13NO2/c1-7(2)4-5-12-9(11)8(3)6-10/h7H,3-5H2,1-2H3",GASDVTHQNCFANM-UHFFFAOYSA-N
DB12631,227803-63-6,Aclerastide,investigational,,,,,,,,,,,,,9811551,[H]N([C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(O)=O)C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O,"InChI=1S/C42H64N12O11/c1-4-6-9-28(50-36(59)29(10-7-16-47-42(44)45)49-35(58)27(43)20-33(56)57)37(60)51-30(18-24-12-14-26(55)15-13-24)38(61)53-34(23(3)5-2)39(62)52-31(19-25-21-46-22-48-25)40(63)54-17-8-11-32(54)41(64)65/h12-15,21-23,27-32,34,55H,4-11,16-20,43H2,1-3H3,(H,46,48)(H,49,58)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,56,57)(H,64,65)(H4,44,45,47)/t23-,27-,28-,29-,30-,31-,32-,34-/m0/s1",RUBMHAHMIJSMHA-LBWFYSSPSA-N
DB12632,1228650-83-6,JNJ-41443532,investigational,,,,,,,,ZINC000141611914,CHEMBL2204263,50400695,JNJ-41443532,,,O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)C1=CC=CC(=C1)C(F)(F)F)C1=CN=CS1,"InChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30)/t17-,21-",CFKBNYUHQSQBSX-CYWCHRQTSA-N
DB12633,160237-25-2,BMS-184476,investigational,,,,,,,,,CHEMBL4297267,,BMS-184476,,6918461,CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C,"InChI=1S/C49H55NO14S/c1-27-33(62-45(57)38(53)37(30-17-11-8-12-18-30)50-43(55)31-19-13-9-14-20-31)24-49(58)42(63-44(56)32-21-15-10-16-22-32)40-47(6,41(54)39(61-28(2)51)36(27)46(49,4)5)34(60-26-65-7)23-35-48(40,25-59-35)64-29(3)52/h8-22,33-35,37-40,42,53,58H,23-26H2,1-7H3,(H,50,55)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1",UBJAHGAUPNGZFF-XOVTVWCYSA-N
DB12634,1638338-43-8,Navicixizumab,investigational,,,,,,,,,,,,,,,,
DB12635,481629-87-2,Aleplasinin,investigational,,,,,,,,,CHEMBL325424,50149272,PAZ-417,,10224267,CC1=CC=CC(=C1)C1=CC=C2N(CC3=CC=C(C=C3)C(C)(C)C)C=C(C(=O)C(O)=O)C2=C1,"InChI=1S/C28H27NO3/c1-18-6-5-7-20(14-18)21-10-13-25-23(15-21)24(26(30)27(31)32)17-29(25)16-19-8-11-22(12-9-19)28(2,3)4/h5-15,17H,16H2,1-4H3,(H,31,32)",HSXLMAFNWCSZGP-UHFFFAOYSA-N
DB12636,1073059-33-2,Samalizumab,investigational,,,,,,,,,,,,,,,,
DB12637,96346-61-1,Onapristone,investigational,,,,,,,,ZINC000003831947,CHEMBL1908373,50366558,ZK-299,,5311505,CN(C)C1=CC=C(C=C1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12,"InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1",IEXUMDBQLIVNHZ-YOUGDJEHSA-N
DB12638,873436-91-0,PU-H71,investigational,,,,,,H71,,ZINC000013679213,CHEMBL200102,50180302,PU-H71,,9549213,CC(C)NCCCN1C(SC2=C(I)C=C3OCOC3=C2)=NC2=C(N)N=CN=C12,"InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)",SUPVGFZUWFMATN-UHFFFAOYSA-N
DB12639,205887-54-3,Telbermin,investigational,,,,,,,,,,,,,,,,
DB12640,1190094-64-4,CP-609754,investigational,,,,,,,,,CHEMBL4297367,,LNK-754,,46208720,CN1C=NC=C1[C@@](O)(C1=CC=C(Cl)C=C1)C1=CC=C2N(C)C(=O)C=C(C3=CC=CC(=C3)C#C)C2=C1,"InChI=1S/C29H22ClN3O2/c1-4-19-6-5-7-20(14-19)24-16-28(34)33(3)26-13-10-22(15-25(24)26)29(35,27-17-31-18-32(27)2)21-8-11-23(30)12-9-21/h1,5-18,35H,2-3H3/t29-/m1/s1",JAHDAIPFBPPQHQ-GDLZYMKVSA-N
DB12641,508233-95-2,Tedatioxetine,investigational,,,,,,,,ZINC000034003654,CHEMBL2104986,,LU-AA24530,177771,9878913,CC1=CC=C(SC2=CC=CC=C2C2CCNCC2)C=C1,"InChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3",CVASBKDYSQKLSO-UHFFFAOYSA-N
DB12642,1261491-89-7,Olumacostat glasaretil,investigational,,,,,,,,,CHEMBL3989947,,DRM01B,,89497391,CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)OCC(=O)N(C)CC(=O)OCC,"InChI=1S/C26H43NO7/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-32-25-18-17-22(34-25)26(30)33-21-23(28)27(3)20-24(29)31-5-2/h17-18H,4-16,19-21H2,1-3H3",FYJLDICZGDFWKP-UHFFFAOYSA-N
DB12643,439687-69-1,Nelivaptan,investigational,,,,,,,,ZINC000042833251,CHEMBL582857,50299343,"SSR-149,415",,9895468,[H][C@]1(O)CN([C@@]([H])(C1)C(=O)N(C)C)[C@@]1(C(=O)N(C2=C1C=C(Cl)C=C2)S(=O)(=O)C1=C(OC)C=C(OC)C=C1)C1=CC=CC=C1OC,"InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1",NJXZWIIMWNEOGJ-WEWKHQNJSA-N
DB12644,934282-55-0,AZD-2066,investigational,,,,,,,,ZINC000034885049,CHEMBL3545164,,AZD 2066,,16041426,C[C@@H](OC1=NN=C(N1C)C1=CC=NC=C1)C1=NOC(=C1)C1=CC=CC(Cl)=C1,"InChI=1S/C19H16ClN5O2/c1-12(16-11-17(27-24-16)14-4-3-5-15(20)10-14)26-19-23-22-18(25(19)2)13-6-8-21-9-7-13/h3-12H,1-2H3/t12-/m1/s1",SXWHYTICXCLKDG-GFCCVEGCSA-N
DB12645,497833-27-9,Givinostat,investigational,,,,,,QCM,,ZINC000003820616,CHEMBL1213492,50105329,GIVINOSTAT,94187,9804992,CCN(CC)CC1=CC=C2C=C(COC(=O)NC3=CC=C(C=C3)C(=O)NO)C=CC2=C1,"InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)",YALNUENQHAQXEA-UHFFFAOYSA-N
DB12647,6829-55-6,Tocotrienol,investigational,,,,578285,,,,,CHEMBL120643,,,,9929901,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC=C2O1,"InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+",GJJVAFUKOBZPCB-ZGRPYONQSA-N
DB12648,143413-47-2,Nona-arginine,investigational,,,,,,,,,CHEMBL4090674,,,,25077438,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C54H110N36O10/c55-28(10-1-19-74-46(56)57)37(91)83-29(11-2-20-75-47(58)59)38(92)84-30(12-3-21-76-48(60)61)39(93)85-31(13-4-22-77-49(62)63)40(94)86-32(14-5-23-78-50(64)65)41(95)87-33(15-6-24-79-51(66)67)42(96)88-34(16-7-25-80-52(68)69)43(97)89-35(17-8-26-81-53(70)71)44(98)90-36(45(99)100)18-9-27-82-54(72)73/h28-36H,1-27,55H2,(H,83,91)(H,84,92)(H,85,93)(H,86,94)(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,99,100)(H4,56,57,74)(H4,58,59,75)(H4,60,61,76)(H4,62,63,77)(H4,64,65,78)(H4,66,67,79)(H4,68,69,80)(H4,70,71,81)(H4,72,73,82)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1",XUNKPNYCNUKOAU-VXJRNSOOSA-N
DB12649,464213-10-3,Ibipinabant,investigational,,,,,,,,ZINC000003964747,CHEMBL412262,50230537,BMS-646256,,9826744,CNC(=NS(=O)(=O)C1=CC=C(Cl)C=C1)N1C[C@@H](C(=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1,"InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1",AXJQVVLKUYCICH-OAQYLSRUSA-N
DB12650,118313-25-0,L-deprenyl-D2 C-11,investigational,,,,,,,,,,,,,90274764,[2H]C([2H])(C#C)N([11CH3])[C@H](C)CC1=CC=CC=C1,"InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1/i3-1,10D2",MEZLKOACVSPNER-FDJJMKDCSA-N
DB12651,218600-44-3,Bardoxolone,investigational,17671235,,,,,,,ZINC000006019135,CHEMBL1093059,,BARDOXOLONE,177450,400010,CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O,"InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1",TXGZJQLMVSIZEI-UQMAOPSPSA-N
DB12652,117399-94-7,Endothelin-1,investigational,,,,,,,,,,,,,,,,
DB12654,1010412-80-2,GSK-376501,investigational,,,,,,,,,CHEMBL4297386,,GSK376501,,24946920,COCCOC1=CC(OCCOC)=CC(CN2C3=CC=CC=C3C(=C2C(O)=O)C2=CC=C(C=C2)C(C)(C)C)=C1,"InChI=1S/C32H37NO6/c1-32(2,3)24-12-10-23(11-13-24)29-27-8-6-7-9-28(27)33(30(29)31(34)35)21-22-18-25(38-16-14-36-4)20-26(19-22)39-17-15-37-5/h6-13,18-20H,14-17,21H2,1-5H3,(H,34,35)",OIDYMQICWGYEDR-UHFFFAOYSA-N
DB12655,1037210-93-7,Patidegib,investigational,,,,,,,,ZINC000043197072,CHEMBL538867,50293788,IP9 FREE BASE,177425,25027363,C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O,"InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1",HZLFFNCLTRVYJG-WWGOJCOQSA-N
DB12656,83930-13-6,Somatorelin,investigational,,V04CD05,,236901,,,,,,,,,,,,
DB12657,1298030-18-8,JNJ-42396302,investigational,,,,,,,,ZINC000068268153,CHEMBL2180408,50397991,JNJ-42396302,,51352628,COCCC1=CC=C(C=N1)C1=C(C)N=C2N1N=CC=C2N1CCOCC1,"InChI=1S/C19H23N5O2/c1-14-18(15-3-4-16(20-13-15)6-10-25-2)24-19(22-14)17(5-7-21-24)23-8-11-26-12-9-23/h3-5,7,13H,6,8-12H2,1-2H3",BPLVDYJDAVYLRQ-UHFFFAOYSA-N
DB12658,620175-39-5,AFN-1252,investigational,,,,,,,,ZINC000038795123,CHEMBL1652621,50052244,AFN-1252,,10407120,CN(CC1=C(C)C2=CC=CC=C2O1)C(=O)\C=C\C1=CC2=C(NC(=O)CC2)N=C1,"InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+",QXTWSUQCXCWEHF-JXMROGBWSA-N
DB12659,1424799-20-1,SJ-733,investigational,,,,,,,,,CHEMBL4207489,,SJ733,,89508529,FC1=CC=C(NC(=O)[C@@H]2[C@H](N(CC(F)(F)F)C(=O)C3=CC=CC=C23)C2=CC=CN=C2)C=C1C#N,"InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1",VKCPFWKTFZAOTO-LEWJYISDSA-N
DB12660,1312547-19-5,Samatasvir,investigational,,,,,,,,ZINC000150588806,CHEMBL3039519,,SAMATASVIR,,58310140,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC2=CC=C(C=C2N1)C1=CSC2=C1SC=C2C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC)C1=CC=CC=C1,"InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1",ATOLIHZIXHZSBA-BTSKBWHGSA-N
DB12661,34661-75-1,Urapidil,investigational,,C02CA06,,39230,,,2796,ZINC000001544805,CHEMBL279229,50237617,URAPIDIL,32278,5639,COC1=CC=CC=C1N1CCN(CCCNC2=CC(=O)N(C)C(=O)N2C)CC1,"InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3",ICMGLRUYEQNHPF-UHFFFAOYSA-N
DB12662,476436-68-7,Naveglitazar,investigational,"['15582409', '17012539']",,,,,,,ZINC000003950327,CHEMBL181954,50157056,LY-519818,188591,9888484,CO[C@@H](CC1=CC=C(OCCCOC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1)C(O)=O,"InChI=1S/C25H26O6/c1-28-24(25(26)27)18-19-8-10-20(11-9-19)29-16-5-17-30-21-12-14-23(15-13-21)31-22-6-3-2-4-7-22/h2-4,6-15,24H,5,16-18H2,1H3,(H,26,27)/t24-/m0/s1",OKJHGOPITGTTIM-DEOSSOPVSA-N
DB12663,103337-74-2,Letrazuril,investigational,,,,,,,,,CHEMBL2104819,,LETRAZURIL,,59745,FC1=CC=C(C=C1)C(C#N)C1=C(Cl)C=C(C=C1Cl)N1N=CC(=O)NC1=O,"InChI=1S/C17H9Cl2FN4O2/c18-13-5-11(24-17(26)23-15(25)8-22-24)6-14(19)16(13)12(7-21)9-1-3-10(20)4-2-9/h1-6,8,12H,(H,23,25,26)",XQKYUBTUOHHNDV-UHFFFAOYSA-N
DB12664,202844-10-8,Indantadol,investigational,,,,,,,,ZINC000000009005,CHEMBL4745578,,,,10192617,NC(=O)CNC1CC2=CC=CC=C2C1,"InChI=1S/C11H14N2O/c12-11(14)7-13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,13H,5-7H2,(H2,12,14)",MNLULKBKWKTZPE-UHFFFAOYSA-N
DB12665,482-35-9,Isoquercetin,investigational,,,,,,HW2,,ZINC000004096845,CHEMBL250450,153265,ISOQUERCETIN,68352,5280804,OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",OVSQVDMCBVZWGM-QSOFNFLRSA-N
DB12666,226954-04-7,Emapunil,investigational,,,,,,,,ZINC000000602486,CHEMBL513922,50266889,AC-5216,,6433109,CCN(CC1=CC=CC=C1)C(=O)CN1C(=O)N(C)C2=CN=C(N=C12)C1=CC=CC=C1,"InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3",NBMBIEOUVBHEBM-UHFFFAOYSA-N
DB12667,14222-60-7,Protionamide,"['approved', 'investigational']",,J04AD01,D01195,8871,,,2314,ZINC000003874803,CHEMBL1378024,50499814,PROTIONAMIDE,32066,666418,CCCC1=CC(=CC=N1)C(N)=S,"InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)",VRDIULHPQTYCLN-UHFFFAOYSA-N
DB12668,58569-55-4,Metenkefalin,investigational,"['24856378', '7056849', '2498783']",,,1349278,,,,ZINC000004102171,CHEMBL13786,50019056,,189868,443363,CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1",YFGBQHOOROIVKG-FKBYEOEOSA-N
DB12669,895533-09-2,4SC-203,investigational,,,,,,,,,,,,,44467821,COC1=CC=C(C)C=C1NC(=O)NC1=NC2=CC=C(NC3=NC=NC4=CC(OCCCN5CCN(C)CC5)=C(OC)C=C34)C=C2S1,"InChI=1S/C33H38N8O4S/c1-21-6-9-27(43-3)26(16-21)37-32(42)39-33-38-24-8-7-22(17-30(24)46-33)36-31-23-18-28(44-4)29(19-25(23)34-20-35-31)45-15-5-10-41-13-11-40(2)12-14-41/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,39,42)",MAFACRSJGNJHCF-UHFFFAOYSA-N
DB12670,136199-02-5,Rolofylline,investigational,,,,,,,,ZINC000018207215,,,,,11948288,CCCN1C2=C(NC(=N2)C23C[C@@H]4CC2C[C@H](C3)C4)C(=O)N(CCC)C1=O,"InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14?,20?",PJBFVWGQFLYWCB-QUYAXPHCSA-N
DB12671,251111-30-5,Beloranib,investigational,,,,,,,,ZINC000003982162,CHEMBL4297504,148430,ZGN-440,,6918502,CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C1=CC=C(OCCN(C)C)C=C1,"InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1",ZEZFKUBILQRZCK-MJSCXXSSSA-N
DB12672,118525-40-9,Icaritin,investigational,,,,,,,,ZINC000014762797,CHEMBL498485,50272527,ICARITIN,,5318980,COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1,"InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3",TUUXBSASAQJECY-UHFFFAOYSA-N
DB12673,,ATX-914,investigational,,,,,,,,,CHEMBL4297351,,AXT914,,119026214,CC(C)C1=CC=C(C=C1)C1=NC(=O)N(CC2=CC=C3N=C(Br)C=NC3=C2)C2=CC=C(OCC#C)C=C12,"InChI=1S/C29H23BrN4O2/c1-4-13-36-22-10-12-26-23(15-22)28(21-8-6-20(7-9-21)18(2)3)33-29(35)34(26)17-19-5-11-24-25(14-19)31-16-27(30)32-24/h1,5-12,14-16,18H,13,17H2,2-3H3",ALANRBCCCQEPFZ-UHFFFAOYSA-N
DB12674,497871-47-3,Lurbinectedin,"['approved', 'investigational']","['30269906', '30831452', '32085891', '31621891', '32055920', '32184690']",,,2374729,,,5398,,CHEMBL4297516,,PM01183,,57327016,[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4NC4=CC=C(OC)C=C54)C(=O)OC[C@H](N1[C@@H](O)[C@@H]1CC4=CC(C)=C(OC)C(O)=C4[C@@]2([H])N1C)C1=C2OCOC2=C(C)C(OC(C)=O)=C31,"InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1",YDDMIZRDDREKEP-HWTBNCOESA-N
DB12675,1331782-27-4,PF-04995274,investigational,,,,,,,,ZINC000095577747,CHEMBL2152922,50398598,PF-04995274,,53354764,OC1(CN2CCC(COC3=NOC4=CC=CC(O[C@@H]5CCOC5)=C34)CC2)CCOCC1,"InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1",WLLOFQROROXOMO-GOSISDBHSA-N
DB12676,31690-11-6,Modufolin,investigational,,,,,,MEF,,ZINC000004228243,CHEMBL1234270,,MODUFOLIN,1989,135398645,[H][C@@]12CN(CN1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1",QYNUQALWYRSVHF-OLZOCXBDSA-N
DB12677,149606-27-9,Soblidotin,investigational,,,,,,,,ZINC000003951627,CHEMBL3989512,,AURISTATIN PE,32135,6918315,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCC1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C,"InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35-,36+/m0/s1",DZMVCVHATYROOS-ZBFGKEHZSA-N
DB12678,661472-41-9,Relamorelin,investigational,,,,,,,,,CHEMBL4297525,,BIM-28131,,44251769,NC(=O)C1(CCNCC1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](CC1=CSC2=CC=CC=C12)NC(=O)C1CCNCC1,"InChI=1S/C43H50N8O5S/c44-42(56)43(16-20-46-21-17-43)51-41(55)34(22-27-8-2-1-3-9-27)49-39(53)35(23-29-25-47-33-12-6-4-10-31(29)33)50-40(54)36(48-38(52)28-14-18-45-19-15-28)24-30-26-57-37-13-7-5-11-32(30)37/h1-13,25-26,28,34-36,45-47H,14-24H2,(H2,44,56)(H,48,52)(H,49,53)(H,50,54)(H,51,55)/t34-,35+,36+/m0/s1",KUBPNVYPKPWGRJ-LIVOIKKVSA-N
DB12679,857064-38-1,WP 1066,investigational,,,,,,,,ZINC000013983221,CHEMBL1923234,,WP1066,,11210478,C[C@H](NC(=O)C(=C\C1=CC=CC(Br)=N1)\C#N)C1=CC=CC=C1,"InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1",VFUAJMPDXIRPKO-LQELWAHVSA-N
DB12680,607742-69-8,Intepirdine,investigational,,,,,,,,ZINC000043199965,CHEMBL1083390,50318633,RVT-101,,11256720,O=S(=O)(C1=CC=CC=C1)C1=CN=C2C(C=CC=C2N2CCNCC2)=C1,"InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2",JJZFWROHYSMCMU-UHFFFAOYSA-N
DB12681,162520-00-5,Salirasib,investigational,,,,,,,,ZINC000001650377,CHEMBL23293,50034278,SALIRASIB,177460,5469318,CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC1=CC=CC=C1C(O)=O,"InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+",WUILNKCFCLNXOK-CFBAGHHKSA-N
DB12682,366017-09-6,Mubritinib,investigational,,,,,,,,ZINC000011679877,CHEMBL1614707,,TAK-165,,6444692,FC(F)(F)C1=CC=C(\C=C\C2=NC(COC3=CC=C(CCCCN4C=CN=N4)C=C3)=CO2)C=C1,"InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+",ZTFBIUXIQYRUNT-MDWZMJQESA-N
DB12683,1448327-63-6,Lumretuzumab,investigational,,,,,,,,,,,,,,,,
DB12684,223577-45-5,Aviscumine,investigational,,,,,,,,,,,,,,,,
DB12685,189362-06-9,K-134,investigational,,,,,,,,,CHEMBL284838,,K-134,,9908900,O[C@@H]1CCCC[C@H]1N(C1CC1)C(=O)NCCCOC1=CC=C2NC(=O)C=CC2=C1,"InChI=1S/C22H29N3O4/c26-20-5-2-1-4-19(20)25(16-7-8-16)22(28)23-12-3-13-29-17-9-10-18-15(14-17)6-11-21(27)24-18/h6,9-11,14,16,19-20,26H,1-5,7-8,12-13H2,(H,23,28)(H,24,27)/t19-,20-/m1/s1",ULGNGSQNNMKROG-WOJBJXKFSA-N
DB12686,718630-59-2,PHA-793887,investigational,,,,,,889,,ZINC000052509437,CHEMBL1230607,50378657,PHA-793887,91371,46191454,CC(C)CC(=O)NC1=NNC2=C1CN(C(=O)C1CCN(C)CC1)C2(C)C,"InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)",HUXYBQXJVXOMKX-UHFFFAOYSA-N
DB12687,1228585-88-3,Vesatolimod,investigational,,,,,,9JR,,ZINC000095616590,CHEMBL2424780,50440284,VESATOLIMOD,,46241268,CCCCOC1=NC(N)=C2NC(=O)CN(CC3=CC=CC(CN4CCCC4)=C3)C2=N1,"InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)",VFOKSTCIRGDTBR-UHFFFAOYSA-N
DB12688,1020748-57-5,Moxetumomab pasudotox,"['approved', 'investigational']","['22003067', '28983018', '22355051', '22069564', '26614906', '15746059', '29581296']",,,2099305,,,,,,,,,,,,
DB12689,603148-36-3,Azeliragon,investigational,,,,,,,,ZINC000038336973,CHEMBL3989929,50249580,TTP488,,11180124,CCCCC1=NC(=CN1C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C1=CC=C(OCCCN(CC)CC)C=C1,"InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3",KJNNWYBAOPXVJY-UHFFFAOYSA-N
DB12690,1082949-67-4,LY-2584702,investigational,,,,,,,,ZINC000043204100,CHEMBL3545076,50271976,LY-2584702,,25118925,CN1C=C(N=C1C1CCN(CC1)C1=C2C=NNC2=NC=N1)C1=CC=C(F)C(=C1)C(F)(F)F,"InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)",FYXRSVDHGLUMHB-UHFFFAOYSA-N
DB12691,380221-63-6,UK-432097,investigational,,,,,,UKA,,ZINC000095539256,CHEMBL1096896,50316212,,,9833519,CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N=C2NCC(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCNC(=O)NC1CCN(CC1)C1=NC=CC=C1,"InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1",ZOTHAEBAWXWVID-HXEFRTELSA-N
DB12692,98629-43-7,Gusperimus,investigational,,L04AA19,,,,,1347,,CHEMBL406117,,SPANIDIN,135609,55362,NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCNC(N)=N,"InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)",IDINUJSAMVOPCM-UHFFFAOYSA-N
DB12693,87051-43-2,Ritanserin,investigational,,,,,,E2J,,ZINC000000538314,CHEMBL267777,50001775,R-55667,64195,5074,CC1=C(CCN2CCC(CC2)=C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(=O)N2C=CSC2=N1,"InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3",JUQLTPCYUFPYKE-UHFFFAOYSA-N
DB12694,870615-40-0,CE-326597,investigational,,,,,,,,,CHEMBL1269258,50329179,CE-326597,,52949124,CC(C)N(CC1=CC=CC=C1)C(=O)CN1C2=CC=CC=C2N2C(=NN=C2C2=CC=CC=C2)[C@H](CC2=CNC3=CC=CC=C23)C1=O,"InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1",UBNMGTSDHSQBEL-PMERELPUSA-N
DB12695,2257-09-2,Phenethyl Isothiocyanate,investigational,,,,,,,,ZINC000002022074,CHEMBL151649,50240850,,351346,16741,S=C=NCCC1=CC=CC=C1,"InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2",IZJDOKYDEWTZSO-UHFFFAOYSA-N
DB12696,623152-17-0,BMS-582949,investigational,,,,,,38P,,ZINC000036475284,CHEMBL1230065,50327009,BMS-582949,,10409068,CCCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NC3CC3)C2=C1C,"InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)",GDTQLZHHDRRBEB-UHFFFAOYSA-N
DB12697,26046-90-2,Methylselenocysteine,investigational,,,,,,,,,CHEMBL62382,,METHYLSELENOCYSTEINE,27812,147004,C[Se]C[C@H](N)C(O)=O,"InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",XDSSPSLGNGIIHP-VKHMYHEASA-N
DB12698,680188-33-4,Ibalizumab,"['approved', 'investigational']","['14722894', '15180541', '1888898']",J05AX23,,,,,,,,,,,,,,
DB12699,527698-09-5,Balugrastim,investigational,,L03AA15,,,,,,,,,,,,,,
DB12700,20311-51-7,Solamargine,investigational,,,,,,,,ZINC000252474776,CHEMBL443114,,,9185,73611,C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",MBWUSSKCCUMJHO-ZGXDEBHDSA-N
DB12701,725735-28-4,Intetumumab,investigational,,,,,,,,,,,,,,,,
DB12702,866933-46-2,Velusetrag,investigational,,,,,,,,ZINC000100374472,CHEMBL2087337,50391069,TD-5108,,,CC(C)N1C(=O)C(=CC2=CC=CC=C12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)CN(C)S(C)(=O)=O,"InChI=1S/C25H36N4O5S/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31)/t18-,19+,20-,21-/m0/s1",HXLOHDZQBKCUCR-WOZUAGRISA-N
DB12703,1086062-66-9,Omipalisib,investigational,,,,,,ZIG,,ZINC000043208634,CHEMBL1236962,50145416,GSK2126458,95093,25167777,COC1=C(NS(=O)(=O)C2=C(F)C=C(F)C=C2)C=C(C=N1)C1=CC2=C(C=CN=C2C=C1)C1=CN=NC=C1,"InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3",CGBJSGAELGCMKE-UHFFFAOYSA-N
DB12704,87151-85-7,Spiradoline,investigational,,,,,,,,ZINC000002530707,CHEMBL70586,83436,,,55652,[H][C@@]1(CC[C@@]2(CCCO2)C[C@]1([H])N1CCCC1)N(C)C(=O)CC1=CC(Cl)=C(Cl)C=C1,"InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1",NYKCGQQJNVPOLU-ONTIZHBOSA-N
DB12705,1262414-04-9,Cenerimod,investigational,,,,,,JER,,ZINC000167253016,CHEMBL4297505,,ACT334441,,49871973,CCC1=CC(=CC(C)=C1OC[C@@H](O)CO)C1=NOC(=N1)C1=CC(=NC(OC)=C1)C1CCCC1,"InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1",KJKKMMMRWISKRF-FQEVSTJZSA-N
DB12706,1362850-20-1,Seletalisib,investigational,,,,,,,,,CHEMBL4297648,50512879,UCB5857,,56928390,[O-][N+]1=CC(=CC=C1)C1=NC2=C(Cl)C=CC=C2C=C1[C@@H](NC1=NC=NC2=CC=CN=C12)C(F)(F)F,"InChI=1S/C23H14ClF3N6O/c24-16-6-1-4-13-10-15(18(31-19(13)16)14-5-3-9-33(34)11-14)21(23(25,26)27)32-22-20-17(29-12-30-22)7-2-8-28-20/h1-12,21H,(H,29,30,32)/t21-/m1/s1",LNLJHGXOFYUARS-OAQYLSRUSA-N
DB12707,935881-37-1,AR-42,investigational,,,,,,QCP,,ZINC000013671721,CHEMBL191482,50475225,AR-42,188197,6918848,CC(C)[C@H](C(=O)NC1=CC=C(C=C1)C(=O)NO)C1=CC=CC=C1,"InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1",LAMIXXKAWNLXOC-INIZCTEOSA-N
DB12708,60325-46-4,Sulprostone,investigational,,G02AD05,,,,,2538,ZINC000004474665,CHEMBL1472830,,SULPROSTONE,135755,5312153,CS(=O)(=O)NC(=O)CCC\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)COC2=CC=CC=C2)[C@H](O)CC1=O,"InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1",UQZVCDCIMBLVNR-TWYODKAFSA-N
DB12709,60-01-5,Tributyrin,investigational,,,,,,NTK,,ZINC000003860906,CHEMBL118722,50212744,TRIBUTYRIN,35020,6050,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,"InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3",UYXTWWCETRIEDR-UHFFFAOYSA-N
DB12710,84-97-9,Perazine,"['approved', 'investigational']",,N05AB10,,8042,PA162565876,,2100,ZINC000019362664,CHEMBL1697766,260166,PERAZINE,59118,4744,CN1CCN(CCCN2C3=CC=CC=C3SC3=CC=CC=C23)CC1,"InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3",WEYVCQFUGFRXOM-UHFFFAOYSA-N
DB12711,1166254-80-3,LTX-109,investigational,,,,,,,,,CHEMBL1817968,,LTX-109,77752,25242323,CC(C)(C)C1=C(C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCC2=CC=CC=C2)C2=C(N1)C(=CC(=C2)C(C)(C)C)C(C)(C)C,"InChI=1S/C43H69N11O3/c1-41(2,3)27-23-28-29(35(43(7,8)9)54-34(28)30(24-27)42(4,5)6)25-33(53-36(55)31(44)17-13-20-50-39(45)46)38(57)52-32(18-14-21-51-40(47)48)37(56)49-22-19-26-15-11-10-12-16-26/h10-12,15-16,23-24,31-33,54H,13-14,17-22,25,44H2,1-9H3,(H,49,56)(H,52,57)(H,53,55)(H4,45,46,50)(H4,47,48,51)/t31-,32-,33-/m0/s1",ZVOYWSKEBVVLGW-ZDCRTTOTSA-N
DB12712,88069-67-4,Pilsicainide,investigational,,,D08377,,,,2167,ZINC000049925459,CHEMBL163238,50413638,PILSICAINIDE,135127,4820,CC1=CC=CC(C)=C1NC(=O)CC12CCCN1CCC2,"InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)",BCQTVJKBTWGHCX-UHFFFAOYSA-N
DB12713,1018899-04-1,Sotagliflozin,"['approved', 'investigational']",,A10BK06,,,,,5339,ZINC000095641922,CHEMBL3039507,50235017,LX4211,,24831714,CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C=C1,"InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1",QKDRXGFQVGOQKS-CRSSMBPESA-N
DB12714,119229-65-1,Nerispirdine,investigational,,,,,,,,,CHEMBL2107762,,NERISPIRDINE,,3081185,CCCN(N1C=C(C)C2=CC=CC=C12)C1=CC=NC=C1F,"InChI=1S/C17H18FN3/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21/h4-9,11-12H,3,10H2,1-2H3",BTDHTARYCBHHPJ-UHFFFAOYSA-N
DB12715,897657-95-3,MSX-122,investigational,,,,,,,,ZINC000038247771,CHEMBL3545330,194510,MSX-122,,11687907,C(NC1=NC=CC=N1)C1=CC=C(CNC2=NC=CC=N2)C=C1,"InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)",PXZXYRKDDXKDTK-UHFFFAOYSA-N
DB12716,686301-48-4,NB-001,investigational,12485363,,,,,,,ZINC000004334664,CHEMBL4297305,50521069,NB-001,,2815031,NC1=C2N=CN(CCNCCCCCO)C2=NC=N1,"InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)",CVPTTZZCRDVGSU-UHFFFAOYSA-N
DB12717,375345-95-2,Mibampator,investigational,,,,,,8SO,,ZINC000000593414,CHEMBL1277001,50330415,MIBAMPATOR,,9889366,CC(C)S(=O)(=O)NC[C@H](C)C1=CC=C(C=C1)C1=CC=C(CCNS(C)(=O)=O)C=C1,"InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1",ULRDYYKSPCRXAJ-KRWDZBQOSA-N
DB12718,915404-94-3,Carlumab,investigational,,,,,,,,,,,,,,,,
DB12719,629664-81-9,Turofexorate isopropyl,investigational,,,,,,33Y,,ZINC000040848320,CHEMBL454138,28542,XL-335,177681,10026128,CC(C)OC(=O)C1=CN(CC(C)(C)C2=C1NC1=CC=CC=C21)C(=O)C1=CC(F)=C(F)C=C1,"InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3",INASOKQDNHHMRE-UHFFFAOYSA-N
DB12720,908253-63-4,Nivocasan,investigational,,,,,,,,ZINC000035968991,CHEMBL2105721,,LB-84451,,11633038,CC(C)[C@]1(CC(=NO1)C1=NC=CC2=CC=CC=C12)C(=O)N[C@H]1CC(=O)O[C@]1(O)CF,"InChI=1S/C21H22FN3O5/c1-12(2)20(19(27)24-16-9-17(26)29-21(16,28)11-22)10-15(25-30-20)18-14-6-4-3-5-13(14)7-8-23-18/h3-8,12,16,28H,9-11H2,1-2H3,(H,24,27)/t16-,20+,21+/m0/s1",VYFGDLGHHBUDTQ-ZLGUVYLKSA-N
DB12721,920022-47-5,RO-5028442,investigational,,,,,,,,,CHEMBL3416885,50077217,RO-5028442,,59657596,CN(C)CCN1C=C(C(=O)N2CCC3(CC2)OCC2=CC=CC=C32)C2=CC=C(Cl)C=C12,"InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3",QZXVLRCMAHJVIP-UHFFFAOYSA-N
DB12722,,N-sulfoglucosamine sulfohydrolase recombinant,investigational,,,,,,,,,,,,,,,,
DB12724,929890-64-2,AZD-7295,investigational,,,,,,,,ZINC000095627833,CHEMBL4297353,,AZD 7295,,57339445,CCCS(=O)(=O)N1CCN(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C3=CC(NC(=O)C4CC4)=CC=C3OC(F)(F)F)C=C2)CC1,"InChI=1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41)",MAQDQJWCSSCURR-UHFFFAOYSA-N
DB12725,916075-84-8,Felcisetrag,investigational,,,,,,,,ZINC000043150989,CHEMBL2402904,50436989,TD-8954,,11961293,COC(=O)N1CCC(CN2CCC(CNC(=O)C3=C4NC(=NC4=CC=C3)C(C)C)CC2)CC1,"InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)",MZOITCJKGUIQEI-UHFFFAOYSA-N
DB12726,156616-23-8,Monteplase,investigational,,,,,,,,,,,,,,,,
DB12727,62435-42-1,Perfosfamide,investigational,,,,,,,3430,ZINC000043226442,CHEMBL421584,,,135223,9554809,OO[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl,"InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)/t7-,16-/m1/s1",VPAWVRUHMJVRHU-VGDKGRGNSA-N
DB12728,67306-00-7,Fenpropidin,"['experimental', 'approved']",,,,,,,,,CHEMBL1889041,50487255,PATROL,83291,91694,CC(CN1CCCCC1)CC1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3",MGNFYQILYYYUBS-UHFFFAOYSA-N
DB12729,1097917-15-1,ASP-3026,investigational,,,,,,F6O,,ZINC000068120928,CHEMBL3545360,209865,ASP 3026,167650,25134326,COC1=CC(=CC=C1NC1=NC(NC2=CC=CC=C2S(=O)(=O)C(C)C)=NC=N1)N1CCC(CC1)N1CCN(C)CC1,"InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)",MGGBYMDAPCCKCT-UHFFFAOYSA-N
DB12730,110417-88-4,Dolastatin 10,investigational,,,,,,,,ZINC000095803508,CHEMBL39541,50216333,,67357,9810929,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C1=NC=CS1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C,"InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1",OFDNQWIFNXBECV-VFSYNPLYSA-N
DB12731,658084-64-1,Daporinad,investigational,,,,,,DGB,,ZINC000003828115,CHEMBL566757,81395,APO 866,187413,6914657,O=C(NCCCCC1CCN(CC1)C(=O)C1=CC=CC=C1)\C=C\C1=CC=CN=C1,"InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+",KPBNHDGDUADAGP-VAWYXSNFSA-N
DB12732,402567-16-2,Firategrast,investigational,,,,,,,,ZINC000030691369,CHEMBL2104967,,FIRATEGRAST,,9935681,CCOCC1=CC(OC)=C(C(OC)=C1)C1=CC=C(C[C@H](NC(=O)C2=C(F)C=CC=C2F)C(O)=O)C=C1,"InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1",YLFZHHDVRSYTKT-NRFANRHFSA-N
DB12733,872363-17-2,Dipraglurant,investigational,,,,,,,,ZINC000072266314,CHEMBL2346738,50431705,ADX-48621,,44557636,FC1=CN2C=C(CCC#CC3=CC=CC=N3)N=C2C=C1,"InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2",LZXMUJCJAWVHPZ-UHFFFAOYSA-N
DB12734,1243262-17-0,Demcizumab,investigational,,,,,,,,,,,,,,,,
DB12736,22668-01-5,Etanidazole,investigational,,,D04075,,,,,ZINC000001873938,CHEMBL47405,,NSC-301467,75473,3276,OCCNC(=O)CN1C=CN=C1[N+]([O-])=O,"InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)",WCDWBPCFGJXFJZ-UHFFFAOYSA-N
DB12737,1447814-75-6,Brontictuzumab,investigational,,,,,,,,,,,,,,,,
DB12738,178823-49-9,Tiplimotide,investigational,,,,,,,,,,,,,,,,
DB12739,130641-38-2,Bindarit,investigational,,,,,,,,ZINC000000004594,CHEMBL2107549,,AF-2838,,71354,CC(C)(OCC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12)C(O)=O,"InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)",MTHORRSSURHQPZ-UHFFFAOYSA-N
DB12740,1228013-15-7,CC-115,investigational,,,,,,,,ZINC000113191351,CHEMBL3586573,50093082,CC-115,,58298318,CCN1C(=O)CNC2=C1N=C(C=N2)C1=CC=C(N=C1C)C1=NN=CN1,"InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)",GMYLVKUGJMYTFB-UHFFFAOYSA-N
DB12741,1383370-92-0,DTP-348,investigational,,,,,,2VQ,,,CHEMBL3087323,50494148,DTP348,,57413968,CC1=NC=C(N1CCNS(N)(=O)=O)N(=O)=O,"InChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15)",AVSMSXHPIYIKIJ-UHFFFAOYSA-N
DB12742,850879-09-3,Amuvatinib,investigational,17325667,,,,,,,ZINC000034951302,CHEMBL2103851,50172081,MP470,91389,11282283,S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1,"InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)",FOFDIMHVKGYHRU-UHFFFAOYSA-N
DB12743,41332-24-5,Z-160,investigational,,,,,,,,ZINC000020509316,CHEMBL604710,50461289,,,4988454,O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2",VCPMZDWBEWTGNW-UHFFFAOYSA-N
DB12744,900573-88-8,CGI-1842,investigational,,,,,,,,ZINC000038255464,CHEMBL3545155,,JI-101,,11691242,COC1=CC=C(Br)C=C1NC(=O)NC1=C2C=CN(CC3=CC=NC(N)=C3)C2=CC=C1,"InChI=1S/C22H20BrN5O2/c1-30-20-6-5-15(23)12-18(20)27-22(29)26-17-3-2-4-19-16(17)8-10-28(19)13-14-7-9-25-21(24)11-14/h2-12H,13H2,1H3,(H2,24,25)(H2,26,27,29)",ZXBFYBLSJMEBEP-UHFFFAOYSA-N
DB12745,937174-76-0,GSK-690693,investigational,,,,,,G93,,ZINC000034285211,CHEMBL494089,25013,GSK690693,90677,16725726,[H][C@]1(COC2=C3N(CC)C(=NC3=C(N=C2)C#CC(C)(C)O)C2=NON=C2N)CCCNC1,"InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1",KGPGFQWBCSZGEL-ZDUSSCGKSA-N
DB12746,1175017-90-9,AKN-028,investigational,,,,,,,,ZINC000116749119,CHEMBL4790100,,,,44177328,NC1=C(NC2=CC=C3NC=CC3=C2)N=C(C=N1)C1=CC=NC=C1,"InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)",JLRIJKVMMZEKDF-UHFFFAOYSA-N
DB12747,915019-08-8,Tertomotide,investigational,"['16491401', '17060934', '17258078']",,,,,,,,,,,,,,,
DB12748,1345407-05-7,LTX-315,investigational,,,,,,,,,CHEMBL4297628,,LTX 315,,46200994,NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(N)=O,"InChI=1S/C78H106N18O9/c79-38-18-13-30-57(84)71(98)90-62(35-15-20-40-81)73(100)93-66(44-52-47-87-59-32-11-8-28-55(52)59)76(103)95-65(43-51-46-86-58-31-10-7-27-54(51)58)75(102)92-63(36-16-21-41-82)72(99)91-64(37-17-22-42-83)74(101)94-67(45-53-48-88-60-33-12-9-29-56(53)60)77(104)96-69(78(105)89-61(70(85)97)34-14-19-39-80)68(49-23-3-1-4-24-49)50-25-5-2-6-26-50/h1-12,23-29,31-33,46-48,57,61-69,86-88H,13-22,30,34-45,79-84H2,(H2,85,97)(H,89,105)(H,90,98)(H,91,99)(H,92,102)(H,93,100)(H,94,101)(H,95,103)(H,96,104)/t57-,61-,62-,63-,64-,65-,66-,67-,69-/m0/s1",GGAKLYWEFZCVIT-TVEKFXMRSA-N
DB12749,6066-49-5,Butylphthalide,investigational,,,,1484499,,,5257,,CHEMBL248594,,,177504,61361,CCCCC1OC(=O)C2=C1C=CC=C2,"InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3",HJXMNVQARNZTEE-UHFFFAOYSA-N
DB12750,50903-99-6,N-omega-nitro-L-arginine methyl ester,investigational,,,,,,,,ZINC000015987659,CHEMBL7890,50098937,L-NAME,7549,135959571,COC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O,"InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1",KCWZGJVSDFYRIX-YFKPBYRVSA-N
DB12751,6915-15-7,Malic acid,investigational,,,,29209,,,,,CHEMBL1455497,92495,L-MALIC ACID,6650,525,OC(CC(O)=O)C(O)=O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)",BJEPYKJPYRNKOW-UHFFFAOYSA-N
DB12752,71119-11-4,Bucindolol,investigational,,,,,PA165945764,,,,CHEMBL321582,50169808,BUCINDOLOL,,51045,CC(C)(CC1=CNC2=CC=CC=C12)NCC(O)COC1=CC=CC=C1C#N,"InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3",FBMYKMYQHCBIGU-UHFFFAOYSA-N
DB12753,143491-54-7,Racivir,investigational,,,,,,,,,CHEMBL161381,,,,9837769,,,
DB12754,20461-54-5,Iodide,"['experimental', 'approved']",,,,1546275,,IOD,,,,26981,,16382,30165,[I-],InChI=1S/HI/h1H/p-1,XMBWDFGMSWQBCA-UHFFFAOYSA-M
DB12755,139570-93-7,Zoptarelin doxorubicin,investigational,,,,,,,,,CHEMBL3544954,,ZOPTARELIN DOXORUBICIN,,101018379,[H]OC[C@H](NC(=O)[C@H](CC1=CN([H])C2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O[H])C=C1)C(=O)N[C@H](CCCCNC(=O)CCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@@]2([H])C[C@H](N)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=CC=CC(OC)=C1C3=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,"InChI=1S/C91H117N19O26/c1-44(2)31-58(83(125)104-57(17-11-29-98-90(94)95)89(131)110-30-12-18-63(110)88(130)100-40-67(93)114)105-81(123)55(16-7-8-28-97-68(115)20-10-21-70(117)134-42-66(113)91(132)36-52-73(65(37-91)136-71-35-53(92)76(118)45(3)135-71)80(122)75-74(78(52)120)77(119)51-14-9-19-64(133-4)72(51)79(75)121)103-84(126)59(32-46-22-24-49(112)25-23-46)106-87(129)62(41-111)109-85(127)60(33-47-38-99-54-15-6-5-13-50(47)54)107-86(128)61(34-48-39-96-43-101-48)108-82(124)56-26-27-69(116)102-56/h5-6,9,13-15,19,22-25,38-39,43-45,53,55-63,65,71,76,99,111-112,118,120,122,132H,7-8,10-12,16-18,20-21,26-37,40-42,92H2,1-4H3,(H2,93,114)(H,96,101)(H,97,115)(H,100,130)(H,102,116)(H,103,126)(H,104,125)(H,105,123)(H,106,129)(H,107,128)(H,108,124)(H,109,127)(H4,94,95,98)/t45-,53-,55+,56-,57-,58-,59-,60-,61-,62-,63-,65-,71-,76+,91-/m0/s1",OOUACICUAVTCEC-LZHWUUGESA-N
DB12756,934541-31-8,TAK-901,investigational,,,,,,,,ZINC000035310420,CHEMBL3544932,209861,TAK-901,,16124208,CCS(=O)(=O)C1=CC=CC(=C1)C1=CC(C(=O)NC2CCN(C)CC2)=C(C)C2=C1C1=C(N2)N=CC(C)=C1,"InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)",WKDACQVEJIVHMZ-UHFFFAOYSA-N
DB12757,446022-33-9,Pelitrexol,investigational,,,,,,,,ZINC000004846117,CHEMBL2107361,,AG-2037,,135431074,CC1=C(CC[C@@H]2CNC3=C(C2)C(=O)NC(N)=N3)SC(=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1",QXOPTIPQEVJERB-JQWIXIFHSA-N
DB12758,154355-76-7,Atreleuton,investigational,,,,,,,,,CHEMBL59356,50029781,ATRELEUTON,,3086671,C[C@H](C#CC1=CC=C(CC2=CC=C(F)C=C2)S1)N(O)C(N)=O,"InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)/t11-/m1/s1",MMSNEKOTSJRTRI-LLVKDONJSA-N
DB12759,1629615-23-1,Suptavumab,investigational,,,,,,,,,,,,,,,,
DB12760,253124-46-8,GW-493838,investigational,,,,,,,,,,,,,9810927,CC(C)(C)C1=NN=C(O1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NC3=CC=C(Cl)C=C3F)N=CN=C12,"InChI=1S/C21H21ClFN7O4/c1-21(2,3)20-29-28-18(34-20)15-13(31)14(32)19(33-15)30-8-26-12-16(24-7-25-17(12)30)27-11-5-4-9(22)6-10(11)23/h4-8,13-15,19,31-32H,1-3H3,(H,24,25,27)/t13-,14+,15-,19+/m0/s1",ZQYJPMPXQLNTPQ-QCUYGVNKSA-N
DB12761,179033-51-3,Timcodar,investigational,,,,,,,,,CHEMBL2059028,50388313,TIMCODAR DIMESYLATE,,9811664,COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N(C)[C@@H](CC1=CC=C(Cl)C=C1)C(=O)N(CC1=CC=CC=C1)C(CCC1=CC=NC=C1)CCC1=CC=NC=C1,"InChI=1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1",MQSMWZHHUGSULF-QNGWXLTQSA-N
DB12762,859209-74-8,Rabacfosadine,investigational,,,,2003595,,,,ZINC000034893919,CHEMBL1823518,,GS-9219,,16047979,CCOC(=O)[C@H](C)NP(=O)(COCCN1C=NC2=C(NC3CC3)N=C(N)N=C12)N[C@@H](C)C(=O)OCC,"InChI=1S/C21H35N8O6P/c1-5-34-19(30)13(3)27-36(32,28-14(4)20(31)35-6-2)12-33-10-9-29-11-23-16-17(24-15-7-8-15)25-21(22)26-18(16)29/h11,13-15H,5-10,12H2,1-4H3,(H2,27,28,32)(H3,22,24,25,26)/t13-,14-/m0/s1",ANSPEDQTHURSFQ-KBPBESRZSA-N
DB12763,1037254-47-9,MK-1496,investigational,,,,,,,,ZINC000118274793,,,,,67313626,C[C@H](N)C1=CC=C(C=C1)[C@H](O)CNC(C)(C)C,"InChI=1S/C14H24N2O/c1-10(15)11-5-7-12(8-6-11)13(17)9-16-14(2,3)4/h5-8,10,13,16-17H,9,15H2,1-4H3/t10-,13+/m0/s1",KUHBBYPXWKYKKR-GXFFZTMASA-N
DB12764,915385-81-8,Opaganib,investigational,,,,,,,,,CHEMBL2158685,50393642,OPAGANIB,124965,15604015,ClC1=CC=C(C=C1)C12CC3CC(CC(C3)(C1)C(=O)NCC1=CC=NC=C1)C2,"InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)",CAOTVXGYTWCKQE-UHFFFAOYSA-N
DB12765,624-83-9,Methyl isocyanate,investigational,,,,,,,,ZINC000008681666,CHEMBL1608558,,,59059,12228,CN=C=O,InChI=1S/C2H3NO/c1-3-2-4/h1H3,HAMGRBXTJNITHG-UHFFFAOYSA-N
DB12766,89943-82-8,Cicletanine,investigational,,C03BX03,,21914,,,634,,CHEMBL191886,,BN-1270,135078,54910,CC1=C(O)C2=C(C=N1)C(OC2)C1=CC=C(Cl)C=C1,"InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3",CVKNDPRBJVBDSS-UHFFFAOYSA-N
DB12767,14087-31-1,Gaxilose,"['approved', 'investigational']",,,,,,,,,CHEMBL4297512,,GAXILOSE,,3082054,OC[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O,"InChI=1S/C11H20O10/c12-1-4(15)7(16)5(2-13)20-11-10(19)9(18)8(17)6(3-14)21-11/h1,4-11,13-19H,2-3H2/t4-,5+,6+,7+,8-,9-,10+,11+/m0/s1",BYZQBCIYLALLPA-NOPGXMAYSA-N
DB12768,,BCG vaccine,"['approved', 'investigational']",,L03AX03,,1344,,,,,,,,,,,,
DB12769,106400-81-1,Lometrexol,investigational,,,,,,DDF,,ZINC000008577213,CHEMBL34412,22590,LY264618 DISODIUM,,135413518,NC1=NC(=O)C2=C(NC[C@H](CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2)N1,"InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1",ZUQBAQVRAURMCL-DOMZBBRYSA-N
DB12770,118288-08-7,Lafutidine,investigational,,A02BA08,D01131,,PA166110255,,,,CHEMBL1742461,,LAFUTIDINE,31759,5282136,O=C(CS(=O)CC1=CC=CO1)NC\C=C/COC1=NC=CC(CN2CCCCC2)=C1,"InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-",KMZQAVXSMUKBPD-DJWKRKHSSA-N
DB12771,10597-60-1,Hydroxytyrosol,investigational,,,,1314227,,975,,ZINC000002379217,CHEMBL1950045,,,68889,82755,OCCC1=CC=C(O)C(O)=C1,"InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2",JUUBCHWRXWPFFH-UHFFFAOYSA-N
DB12773,1006877-41-3,Sifalimumab,investigational,,,,,,,,,,,,,,,,
DB12774,1009298-09-2,AZD-8055,investigational,,,,,,,,ZINC000052509466,CHEMBL1801204,50348452,AZD8055,91329,25262965,COC1=CC=C(C=C1CO)C1=CC=C2C(=N1)N=C(N=C2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C,"InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1",KVLFRAWTRWDEDF-IRXDYDNUSA-N
DB12775,1105038-73-0,Abituzumab,investigational,,,,,,,,,,,,,,,,
DB12776,947620-48-6,E-6005,investigational,,,,,,,,ZINC000113676839,CHEMBL3989967,,E6005,,24864553,CNC1=NC(C2=CC=CC(NC(=O)C3=CC=C(C=C3)C(=O)OC)=C2)=C2C=C(OC)C(OC)=CC2=N1,"InChI=1S/C26H24N4O5/c1-27-26-29-20-14-22(34-3)21(33-2)13-19(20)23(30-26)17-6-5-7-18(12-17)28-24(31)15-8-10-16(11-9-15)25(32)35-4/h5-14H,1-4H3,(H,28,31)(H,27,29,30)",BBTFKAOFCSOZMB-UHFFFAOYSA-N
DB12777,252845-37-7,Somatoprim,investigational,,,,,,,,,,,,,9919857,C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCCNC(=O)CCCN(CC(N)=O)C(=O)[C@H](CC2=CC=CC=C2)NC1=O,"InChI=1S/C60H74N12O10/c1-37(73)54-59(81)70-50(31-39-18-6-3-7-19-39)60(82)72(36-51(62)74)29-15-26-52(75)63-28-14-25-53(76)66-47(30-38-16-4-2-5-17-38)56(78)68-49(33-41-35-65-45-23-11-9-21-43(41)45)58(80)69-48(32-40-34-64-44-22-10-8-20-42(40)44)57(79)67-46(55(77)71-54)24-12-13-27-61/h2-11,16-23,34-35,37,46-50,54,64-65,73H,12-15,24-33,36,61H2,1H3,(H2,62,74)(H,63,75)(H,66,76)(H,67,79)(H,68,78)(H,69,80)(H,70,81)(H,71,77)/t37-,46+,47+,48-,49+,50+,54+/m1/s1",ABFNTRQPWNXUHA-VEVJRHMJSA-N
DB12778,927881-99-0,Rivipansel,investigational,,,,,,,,,CHEMBL3707446,,RIVIPANSEL,,44232546,[H][C@@](CC1CCCCC1)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C[C@H](NC(=O)C3=CC(=O)NC(=O)N3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(=O)NCCNC(=O)COCCOCC(=O)NC2=C3C(=CC(=C2)S(O)(=O)=O)C=C(C=C3S(O)(=O)=O)S(O)(=O)=O)[C@@H]1OC(=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78)/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+/m0/s1",VXBNTHRZPJLRSS-PTCSXESPSA-N
DB12779,5843-65-2,Higenamine,investigational,,,,,,,,,CHEMBL19344,,HIGENAMINE,18418,114840,OC1=CC=C(CC2NCCC3=C2C=C(O)C(O)=C3)C=C1,"InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2",WZRCQWQRFZITDX-UHFFFAOYSA-N
DB12780,62265-68-3,Quinfamide,investigational,,,,35216,,,2344,ZINC000000538272,CHEMBL2107014,,QUINFAMIDE,135493,71743,ClC(Cl)C(=O)N1CCCC2=CC(OC(=O)C3=CC=CO3)=CC=C12,"InChI=1S/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2",SBJGFIXQRZOVTO-UHFFFAOYSA-N
DB12781,199113-98-9,Balaglitazone,investigational,,,,,,,,,CHEMBL2103991,,BALAGLITAZONE,,9889200,CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC2=CC=CC=C2C1=O,"InChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)",IETKPTYAGKZLKY-UHFFFAOYSA-N
DB12782,524019-25-8,SCH-486757,investigational,,,,,,,,,CHEMBL4297427,,SCH486757,,,O[C@]1(C[C@@H]2CC[C@H](C1)N2C(C1=CC=CC=C1Cl)C1=CC=CC=C1Cl)C1=NC=CC=N1,"InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)22(19-7-2-4-9-21(19)26)29-16-10-11-17(29)15-24(30,14-16)23-27-12-5-13-28-23/h1-9,12-13,16-17,22,30H,10-11,14-15H2/t16-,17+,24-",MQWMHMZNBGQNMT-XHNJZIHCSA-N
DB12783,322-35-0,Benserazide,"['approved', 'investigational']",,,D03082,1374,PA165360203,,314,,CHEMBL1096979,49122,BENSERAZIDE,64187,2327,NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1,"InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)",BNQDCRGUHNALGH-UHFFFAOYSA-N
DB12784,1239358-86-1,NS-018,investigational,,,,,,,,ZINC000068245917,CHEMBL4303389,,,,46866319,C[C@H](NC1=CC(=CC(NC2=CN=CC=N2)=N1)C1=CN(C)N=C1)C1=CC=C(F)C=C1,"InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1",UQTPDWDAYHAZNT-AWEZNQCLSA-N
DB12785,1435923-88-8,Furaprevir,investigational,,,,,,,,,CHEMBL4297647,,TG-2349,,51037069,CC(C)OC1=CC=C(C=C1)C1=NC2=C(OC3=C2C=CC=C3)C(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@H](CCCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)OC2CCCC2)=N1,"InChI=1S/C47H56N6O10S/c1-28(2)60-32-21-19-29(20-22-32)40-49-38-34-16-11-12-18-37(34)63-39(38)42(50-40)61-33-25-36-41(54)51-47(44(56)52-64(58,59)46(3)23-24-46)26-30(47)13-7-5-4-6-8-17-35(43(55)53(36)27-33)48-45(57)62-31-14-9-10-15-31/h7,11-13,16,18-22,28,30-31,33,35-36H,4-6,8-10,14-15,17,23-27H2,1-3H3,(H,48,57)(H,51,54)(H,52,56)/b13-7-/t30-,33-,35+,36+,47-/m1/s1",GZRNOYTVBWWFLJ-NTPALUMKSA-N
DB12786,137487-62-8,Alvircept sudotox,investigational,,,,,,,,,,,,,,,,
DB12787,52-78-8,Norethandrolone,investigational,,A14AA09,,7513,,,1961,ZINC000003875356,CHEMBL1697845,,NORETHANDROLONE,135282,5858,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",ZDHCJEIGTNNEMY-XGXHKTLJSA-N
DB12788,223460-79-5,Glucagon-like peptide II,investigational,,,,,,,,,,,,,,,,
DB12789,551-11-1,Dinoprost,"['approved', 'investigational']",,G02AD01,,3477,,,912,ZINC000003830709,CHEMBL815,50035622,DINOPROST TROMETHAMINE,15553,5280363,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCCCC,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",PXGPLTODNUVGFL-YNNPMVKQSA-N
DB12791,203120-17-6,Laninamivir,investigational,,J05AH04,,,,LNV,,ZINC000003985629,CHEMBL466246,50219982,LANINAMIVIR,177801,502272,[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO,"InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1",QNRRHYPPQFELSF-CNYIRLTGSA-N
DB12792,188425-85-6,Boscalid,"['experimental', 'approved']",,,,1735163,,,,ZINC000003612929,CHEMBL1076544,,ENDURA,81822,213013,ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1,"InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)",WYEMLYFITZORAB-UHFFFAOYSA-N
DB12793,9024-13-9,Condoliase,investigational,,,,1546420,,,,,,,,,,,,
DB12794,135-70-6,p-Quaterphenyl,investigational,,,,,,,,ZINC000001615334,,,,52240,8677,C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=CC=C1,InChI=1S/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,GPRIERYVMZVKTC-UHFFFAOYSA-N
DB12795,910627-26-8,CMX-2043,investigational,,,,,,,,ZINC000034636021,CHEMBL3099551,,CMX-2043,,49802864,C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCCC[C@@H]1CCSS1)C(O)=O,"InChI=1S/C16H26N2O6S2/c1-10(16(23)24)17-15(22)12(6-7-14(20)21)18-13(19)5-3-2-4-11-8-9-25-26-11/h10-12H,2-9H2,1H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t10-,11+,12-/m0/s1",MQXRTCVZPIHBLD-TUAOUCFPSA-N
DB12796,1112968-42-9,MRX-I,investigational,,,,,,ZC0,,,CHEMBL3287379,50017203,CONTEZOLID,,25184541,FC1=C(N2CCC(=O)C=C2)C(F)=C(F)C(=C1)N1C[C@H](CNC2=NOC=C2)OC1=O,"InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1",SULYVXZZUMRQAX-NSHDSACASA-N
DB12797,292819-64-8,Ecromeximab,investigational,,,,,,,,,,,,,,,,
DB12798,1221416-43-8,Relenopride,investigational,,,,,,,,,CHEMBL3544975,,YKP10811,,45275554,COC1=CC(N)=C(Cl)C=C1C(=O)NCC1CCN(CC[C@H](OC(N)=O)C2=CC=C(F)C=C2)CC1,"InChI=1S/C24H30ClFN4O4/c1-33-22-13-20(27)19(25)12-18(22)23(31)29-14-15-6-9-30(10-7-15)11-8-21(34-24(28)32)16-2-4-17(26)5-3-16/h2-5,12-13,15,21H,6-11,14,27H2,1H3,(H2,28,32)(H,29,31)/t21-/m0/s1",KGMMSPVVHZGPHL-NRFANRHFSA-N
DB12799,197509-46-9,Laniquidar,investigational,,,,,,,,ZINC000003937143,CHEMBL539378,,LANIQUIDAR,,6450806,COC(=O)C1=CN=C2N1CCC1=CC=CC=C1C2=C1CCN(CCC2=CC=C(OCC3=CC=C4C=CC=CC4=N3)C=C2)CC1,"InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3",TULGGJGJQXESOO-UHFFFAOYSA-N
DB12800,1239278-59-1,CHF-6001,investigational,,,,,,,,ZINC000150603137,CHEMBL3113974,50495704,,,70662473,CS(=O)(=O)NC1=CC=C(C=C1OCC1CC1)C(=O)O[C@@H](CC1=C(Cl)C=[N+]([O-])C=C1Cl)C1=CC=C(OC(F)F)C(OCC2CC2)=C1,"InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1",VCFBPAOSTLMYIV-SANMLTNESA-N
DB12802,477-47-4,Picropodophyllin,investigational,,,,,,,,ZINC000004098919,CHEMBL283120,,AXL-1717,75251,72435,COC1=CC(=CC(OC)=C1OC)[C@H]1[C@H]2[C@H](COC2=O)[C@@H](O)C2=CC3=C(OCO3)C=C12,"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1",YJGVMLPVUAXIQN-HAEOHBJNSA-N
DB12803,59-61-0,Dichloroisoproterenol,investigational,,,,,,,,,CHEMBL30816,50036835,,,5806,CC(C)NCC(O)C1=CC=C(Cl)C(Cl)=C1,"InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3",VKMGSWIFEHZQRS-UHFFFAOYSA-N
DB12804,67199-66-0,Daniquidone,investigational,,,,,PA166119201,,,ZINC000000003827,CHEMBL114283,50037511,DANIQUIDONE,,71750,NC1=CC=C2N=C3N(CC2=C1)C(=O)C1=CC=CC=C31,"InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2",SRIOCKJKFXAKHK-UHFFFAOYSA-N
DB12805,254877-67-3,Ataciguat,investigational,,,,,,,,ZINC000003612878,CHEMBL2107729,,ATACIGUAT,,213037,ClC1=CC=C(S1)S(=O)(=O)NC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCOCC1,"InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)",PQHLRGARXNPFCF-UHFFFAOYSA-N
DB12806,955359-72-5,GSK-1004723,investigational,,,,,,,,ZINC000043175204,CHEMBL1767164,50341447,GSK-1004723,,17747460,ClC1=CC=C(CC2=NN(C[C@H]3CCCN3CCCCC3=CC=C(OCCCN4CCCCCC4)C=C3)C(=O)C3=CC=CC=C23)C=C1,"InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1",YANGEESWIGIKOP-UUWRZZSWSA-N
DB12807,676258-98-3,Naptumomab estafenatox,investigational,,,,,,,,,,,,,,,,
DB12808,895542-09-3,Trifarotene,"['approved', 'investigational']","['31306527', '30802558', '30141539', '29974453', '30586483']",D10AD06,,2205637,,,5350,,CHEMBL3707313,50457548,CD-5789,,11518241,CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)",MFBCDACCJCDGBA-UHFFFAOYSA-N
DB12809,80535-73-5,BK-MDA,investigational,,,,,,,,,,,,,57465250,CC(N)C(=O)C1=CC=C2OCOC2=C1,"InChI=1S/C10H11NO3/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5,11H2,1H3",XDEZOLVDJWWXRG-UHFFFAOYSA-N
DB12810,174672-06-1,AN-2718,investigational,,,,,,,,ZINC000169981748,CHEMBL211538,,AN-2718,,11845944,OB1OCC2=CC(Cl)=CC=C12,"InChI=1S/C7H6BClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2",HMAFTPZYFJFEHK-UHFFFAOYSA-N
DB12812,914913-88-5,Palomid 529,investigational,,,,,,,,,CHEMBL2141712,,PALOMID-529,,11998575,COC1=CC=C(COC2=C(OC)C=C3C(OC(=O)C4=CC(=CC=C34)C(C)O)=C2)C=C1,"InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3",YEAHTLOYHVWAKW-UHFFFAOYSA-N
DB12813,15623-45-7,Radium Ra-223,investigational,,,,,,,,,,,,,,[223Ra],InChI=1S/Ra/i1-3,HCWPIIXVSYCSAN-OIOBTWANSA-N
DB12814,1192706-52-7,Cepeginterferon alfa-2B,investigational,,L03AB14,,,,,,,,,,,,,,
DB12815,1452387-69-7,Crotedumab,investigational,,,,,,,,,,,,,,,,
DB12816,562-74-3,Terpinen-4-ol,investigational,23469686,,,1314261,,,,,CHEMBL507795,,,78884,11230,CC(C)C1(O)CCC(C)=CC1,"InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3",WRYLYDPHFGVWKC-UHFFFAOYSA-N
DB12817,1620458-09-4,Zoliflodacin,investigational,,,,,,,,,CHEMBL3544978,139376,AZD0914,,76685216,[H][C@]12[C@H](C)O[C@H](C)CN1C1=C(CC22C(=O)NC(=O)NC2=O)C=C2C(ON=C2N2[C@@H](C)COC2=O)=C1F,"InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1",ZSWMIFNWDQEXDT-ZESJGQACSA-N
DB12818,181427-78-1,NM-3,investigational,,,,,,,,,,,,,5493470,COC1=CC(O)=C2C(=O)OC(=CC2=C1)C(C)C(O)=O,"InChI=1S/C13H12O6/c1-6(12(15)16)10-4-7-3-8(18-2)5-9(14)11(7)13(17)19-10/h3-6,14H,1-2H3,(H,15,16)",BPZCXUROMKDLGX-UHFFFAOYSA-N
DB12819,443989-01-3,GSI-136,investigational,,,,,,,,,CHEMBL480558,28925,GSI-136,,11358855,CCC(CC)[C@@H](CO)NS(=O)(=O)C1=CC=C(Cl)S1,"InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1",PYZFRRVBPNGCBX-SECBINFHSA-N
DB12820,1312299-39-0,Concizumab,investigational,,,,,,,,,,,,,,,,
DB12821,355-25-9,Perflubutane,"['approved', 'investigational']",16187696,,,,,,3999,ZINC000056897668,CHEMBL2104979,,AI-700,134964,9638,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",KAVGMUDTWQVPDF-UHFFFAOYSA-N
DB12822,59763-91-6,Pancreatic Polypeptide,investigational,,,,,,,,,,,,,,,,
DB12823,867257-26-9,Tecarfarin,investigational,,,,,,,,,CHEMBL2105664,,TECARFARIN,,54718618,CC(OC(=O)C1=CC=C(CC2=C(O)C3=CC=CC=C3OC2=O)C=C1)(C(F)(F)F)C(F)(F)F,"InChI=1S/C21H14F6O5/c1-19(20(22,23)24,21(25,26)27)32-17(29)12-8-6-11(7-9-12)10-14-16(28)13-4-2-3-5-15(13)31-18(14)30/h2-9,28H,10H2,1H3",QFLNTQDOVCLQKW-UHFFFAOYSA-N
DB12824,1228763-95-8,Monalizumab,investigational,,,,,,,,,,,,,,,,
DB12825,1061337-51-6,Lefamulin,"['approved', 'investigational']","['30949709', '26396535', '28598693', '30513017', '30949704', '30949705', '30019769', '30722059', '27958389', '27742734']",J01XX12,,2198944,,62B,5348,,,,,,58076382,[H][C@@]12C(=O)CC[C@]11CCC(C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@@H]1CC[C@@H](N)C[C@H]1O,"InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16?,17-,18+,20+,21+,22+,24-,25-,26+,27-,28-/m0/s1",KPVIXBKIJXZQJX-CSOZIWFHSA-N
DB12826,1471999-69-5,Depatuxizumab,investigational,,,,,,,,,,,,,,,,
DB12827,110117-83-4,Indoximod,investigational,,,,,,,,ZINC000000039102,CHEMBL571209,50207089,D-1MT,,6920151,CN1C=C(C[C@@H](N)C(O)=O)C2=CC=CC=C12,"InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1",ZADWXFSZEAPBJS-SNVBAGLBSA-N
DB12829,104-06-3,Amithiozone,investigational,,"['J04AM04', 'J04AK07']",,,,,2631,ZINC000017970372,CHEMBL375492,50247903,THIACETAZONE,,9568512,CC(=O)NC1=CC=C(\C=N\NC(N)=S)C=C1,"InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+",SRVJKTDHMYAMHA-WUXMJOGZSA-N
DB12830,863513-91-1,Cebranopadol,investigational,,,,,,,,,CHEMBL2364605,50533342,CEBRANOPADOL,,,CN(C)[C@]1(CC[C@@]2(CC1)OCCC1=C2NC2=CC=C(F)C=C12)C1=CC=CC=C1,"InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3/t23-,24-",CSMVOZKEWSOFER-RQNOJGIXSA-N
DB12831,39492-01-8,Gabexate,investigational,"['3104578', '24507023', '143965', '22911782', '12649382', '23812506']",,,,,,3257,ZINC000002002226,CHEMBL87563,50288832,GABEXATE,93036,3447,CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1,"InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)",YKGYIDJEEQRWQH-UHFFFAOYSA-N
DB12832,29069-24-7,Prednimustine,investigational,,L01AA08,,8637,,,2244,ZINC000004214173,CHEMBL2103751,,LEO-1031,82524,34457,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCC3=CC=C(C=C3)N(CCCl)CCCl)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1",HFVNWDWLWUCIHC-GUPDPFMOSA-N
DB12833,87760-53-0,Tandospirone,investigational,,,,,,,2563,ZINC000001545034,CHEMBL274047,50368723,TANDOSPIRONE CITRATE,145673,91273,[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)C3=NC=CC=N3)C(=O)[C@]21[H],"InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-",CEIJFEGBUDEYSX-FZDBZEDMSA-N
DB12834,3366-95-8,Secnidazole,approved,8706597,"['P01AB07', 'J01RA07']",,36314,,,2427,,CHEMBL498847,50349330,SECNIDAZOLE,140628,71815,CC(O)CN1C(C)=NC=C1N(=O)=O,"InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3",KPQZUUQMTUIKBP-UHFFFAOYSA-N
DB12835,927883-84-9,Olipudase alfa,investigational,,,,,,,,,,,,,,,,
DB12836,415903-37-6,Grapiprant,"['vet_approved', 'investigational']","['17495127', '28169162', '21752876', '27691904', '27597397', '29067176', '29575649', '26580822', '27075237', '28459136']",,,1862951,,,,ZINC000038228051,CHEMBL3039498,50107283,CJ 023423,,11677589,CCC1=NC2=C(C)N=C(C)C=C2N1C1=CC=C(CCNC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1,"InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)",HZVLFTCYCLXTGV-UHFFFAOYSA-N
DB12837,582332-31-8,UK-500001,investigational,,,,,,,,,CHEMBL3113734,50017340,UK-500001,,,CC1=CC(C(=O)N[C@H]2CC[C@H](CC2)NC(=O)C2=C(OC3=CC(F)=C(F)C=C3)N=CC(F)=C2)=C(O)C=C1,"InChI=1S/C26H24F3N3O4/c1-14-2-9-23(33)19(10-14)24(34)31-16-3-5-17(6-4-16)32-25(35)20-11-15(27)13-30-26(20)36-18-7-8-21(28)22(29)12-18/h2,7-13,16-17,33H,3-6H2,1H3,(H,31,34)(H,32,35)/t16-,17+",OHIUQAZROSYCMC-CALCHBBNSA-N
DB12838,2227-13-6,Tetrasul,investigational,,,,,,,,ZINC000002161992,CHEMBL1365576,,V-101,82162,16685,ClC1=CC=C(SC2=C(Cl)C=C(Cl)C(Cl)=C2)C=C1,InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H,QUWSDLYBOVGOCW-UHFFFAOYSA-N
DB12839,1585984-95-7,Pegvaliase,"['approved', 'investigational']","['29628378', '29653686']",A16AB19,,2046360,,,,,,,,,,COCCOCCCCCC(=O)NCCCC[C@H](N)C(O)=O,"InChI=1S/C15H30N2O5/c1-21-11-12-22-10-6-2-3-8-14(18)17-9-5-4-7-13(16)15(19)20/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1",NPOCDVAOUKODSQ-ZDUSSCGKSA-N
DB12840,19825-63-9,Pirnabine,investigational,,,,,,,,,CHEMBL2105240,,SP-304,,50137,CC1CCC2=C(C1)C1=C(OC2(C)C)C=C(C)C=C1OC(C)=O,"InChI=1S/C19H24O3/c1-11-6-7-15-14(8-11)18-16(21-13(3)20)9-12(2)10-17(18)22-19(15,4)5/h9-11H,6-8H2,1-5H3",AADNQNOXNWEYHS-UHFFFAOYSA-N
DB12841,195009-21-3,Glial growth factor 2,investigational,,,,,,,,,,,,,,,,
DB12842,581079-18-7,Pegamotecan,investigational,,,,,,,,,,,,,,,,
DB12843,465-16-7,Oleandrin,"['experimental', 'investigational']",,,,,,,3399,ZINC000008214621,CHEMBL4285883,50465465,ANVIRZEL,59030,11541511,CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O,"InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1",JLPDBLFIVFSOCC-XYXFTTADSA-N
DB12844,948570-30-7,Rontalizumab,investigational,,,,,,,,,,,,,,,,
DB12845,931402-35-6,Amatuximab,investigational,,,,,,,,,,,,,,,,
DB12846,54063-54-6,Reproterol,investigational,,"['R03AC15', 'R03AK05', 'R03CC14']",,35373,,,2368,,CHEMBL1095607,,REPROTEROL,135612,25654,CN1C2=C(N(CCCNCC(O)C3=CC(O)=CC(O)=C3)C=N2)C(=O)N(C)C1=O,"InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3",WVLAAKXASPCBGT-UHFFFAOYSA-N
DB12847,382180-17-8,Pyroxamide,investigational,,,,,,,,ZINC000003820709,CHEMBL353581,50473982,PYROXAMIDE,93953,4996,ONC(=O)CCCCCCC(=O)NC1=CN=CC=C1,"InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)",PTJGLFIIZFVFJV-UHFFFAOYSA-N
DB12848,956905-27-4,PF-04217903,investigational,,,,,,KRW,,ZINC000043195316,CHEMBL2001019,50396934,PF-4217903,91425,17754438,OCCN1C=C(C=N1)C1=CN=C2N=NN(CC3=CC4=CC=CN=C4C=C3)C2=N1,"InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2",PDMUGYOXRHVNMO-UHFFFAOYSA-N
DB12849,1236278-28-6,Clazakizumab,investigational,,,,,,,,,,,,,,,,
DB12850,161172-51-6,Etalocib,investigational,,,,,,,,ZINC000003930629,CHEMBL329123,50029450,LY-293111,187612,177941,CCCC1=C(OCCCOC2=CC(O)=C(C=C2CC)C2=CC=C(F)C=C2)C=CC=C1OC1=CC=CC=C1C(O)=O,"InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)",YFIZRWPXUYFCSN-UHFFFAOYSA-N
DB12851,1072874-90-8,Miravirsen,investigational,,,,,,,,,,,,,,,,
DB12852,471905-41-6,MK-0752,investigational,,,,,,,,ZINC000100015572,CHEMBL4205422,50458158,MK-0752,,,OC(=O)CC[C@H]1CC[C@@](CC1)(C1=C(F)C=CC(F)=C1)S(=O)(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+",XCGJIFAKUZNNOR-QCKZDCLWSA-N
DB12853,1342815-16-0,DA-6886,investigational,,,,,,,,,CHEMBL3950712,197997,DA-6886,,54575171,COC1=CC(N)=C(Cl)C=C1C(=O)NCC1CCN(CCCN2C=CN=N2)CC1,"InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-8-25(9-4-14)6-2-7-26-10-5-23-24-26/h5,10-12,14H,2-4,6-9,13,21H2,1H3,(H,22,27)",AULLTYAISZREAX-UHFFFAOYSA-N
DB12854,870603-16-0,BMS-908662,investigational,,,,,,,,,CHEMBL3545027,50457451,,,56931136,COC(=O)NC1=NC2=CC(=CC=C2N1)C1(O)N(C(=O)C2=CC=CC=C12)C1=CC(Cl)=CC=C1C,"InChI=1S/C24H19ClN4O4/c1-13-7-9-15(25)12-20(13)29-21(30)16-5-3-4-6-17(16)24(29,32)14-8-10-18-19(11-14)27-22(26-18)28-23(31)33-2/h3-12,32H,1-2H3,(H2,26,27,28,31)",MMNNTJYFHUDSKL-UHFFFAOYSA-N
DB12855,160707-69-7,Apricitabine,investigational,,,,,,,,ZINC000003779991,CHEMBL210651,,AVX-754,,455041,NC1=NC(=O)N(C=C1)[C@H]1CO[C@@H](CO)S1,"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1",RYMCFYKJDVMSIR-RNFRBKRXSA-N
DB12856,444-27-9,Timonacic,investigational,,,,,,,2670,,CHEMBL358722,,,133584,9934,OC(=O)C1CSCN1,"InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)",DZLNHFMRPBPULJ-UHFFFAOYSA-N
DB12857,1204975-42-7,NVP-LEQ-506,investigational,,,,,,,,,CHEMBL3133037,,LEQ506,,45100669,C[C@@H]1CN(CCN1C1=CN=C(C=N1)C(C)(C)O)C1=NN=C(CC2=CC=CC=C2)C(C)=C1C,"InChI=1S/C25H32N6O/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(4,5)32)24-19(3)18(2)21(28-29-24)13-20-9-7-6-8-10-20/h6-10,14-15,17,32H,11-13,16H2,1-5H3/t17-/m1/s1",POERAARDVFVDLO-QGZVFWFLSA-N
DB12858,204592-94-9,LY-377604,investigational,,,,,,,,ZINC000002005848,CHEMBL2012520,50379086,LY377604,,9849699,CC(C)(CC1=CC=C(OC2=CC=C(C=N2)C(N)=O)C=C1)NC[C@H](O)COC1=CC=CC2=C1C1=C(N2)C=CC=C1,"InChI=1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1",RBSGUQYXRDKPAE-QFIPXVFZSA-N
DB12859,7440-25-7,Tantalum,investigational,,,,1311490,,TA0,,,,,,33348,23956,[Ta],InChI=1S/Ta,GUVRBAGPIYLISA-UHFFFAOYSA-N
DB12860,7440-34-8,Actinium,investigational,,,,,,,,,,,,33337,23965,[Ac],InChI=1S/Ac,QQINRWTZWGJFDB-UHFFFAOYSA-N
DB12861,187870-78-6,Rimeporide,investigational,,,,,,,,ZINC000003951217,CHEMBL2107802,,RIMEPORIDE,,9799487,CC1=CC(=C(C=C1C(=O)NC(N)=N)S(C)(=O)=O)S(C)(=O)=O,"InChI=1S/C11H15N3O5S2/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13/h4-5H,1-3H3,(H4,12,13,14,15)",GROMEQPXDKRRIE-UHFFFAOYSA-N
DB12862,9001-37-0,Glucose oxidase,investigational,,,,1427073,,,,,,,,,,,,
DB12863,127373-66-4,Sivelestat,investigational,,,,,,,2452,ZINC000021298097,CHEMBL76688,166439,SIVELESTAT,135704,107706,CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1C(=O)NCC(O)=O,"InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)",BTGNGJJLZOIYID-UHFFFAOYSA-N
DB12864,494-79-1,Melarsoprol,investigational,,P01CD01,,,,,3336,,CHEMBL166,,MEL B,6729,10311,NC1=NC(NC2=CC=C(C=C2)[As]2SCC(CO)S2)=NC(N)=N1,"InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)",JCYZMTMYPZHVBF-UHFFFAOYSA-N
DB12865,1262780-97-1,Etelcalcetide,"['approved', 'investigational']",,H05BX04,D10676,1876119,,,5181,,CHEMBL3545184,,ETELCALCETIDE HYDROCHLORIDE,134700,71511839,C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@H](N)C(O)=O)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O,"InChI=1S/C38H73N21O10S2/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52)/t18-,19-,21+,22-,23-,24-,25-,26-/m1/s1",ANIAZGVDEUQPRI-ZJQCGQFWSA-N
DB12866,956136-95-1,Pradigastat,investigational,,,,,,,,,CHEMBL2364624,50502586,PRADIGASTAT,,,OC(=O)C[C@H]1CC[C@@H](CC1)C1=CC=C(C=C1)C1=NC=C(NC2=CN=C(C=C2)C(F)(F)F)C=C1,"InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17-",GXALXAKNHIROPE-QAQDUYKDSA-N
DB12867,2062-84-2,Benperidol,"['approved', 'investigational']",,N05AD07,,1373,,,312,ZINC000009232411,CHEMBL297302,81492,ANQUIL,93403,16363,OC1=NC2=CC=CC=C2N1C1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,"InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)",FEBOTPHFXYHVPL-UHFFFAOYSA-N
DB12868,125974-72-3,Intoplicine,investigational,,,,,,,1446,ZINC000001629400,CHEMBL1908351,,INTOPLICINE,135474,65954,CN(C)CCCNC1=NC=C(C)C2=C1C1=C(N2)C=CC2=CC(O)=CC=C12,"InChI=1S/C21H24N4O/c1-13-12-23-21(22-9-4-10-25(2)3)19-18-16-7-6-15(26)11-14(16)5-8-17(18)24-20(13)19/h5-8,11-12,24,26H,4,9-10H2,1-3H3,(H,22,23)",QROONAIPJKQFMC-UHFFFAOYSA-N
DB12869,119431-25-3,Eliprodil,investigational,,,,,,,,,CHEMBL28564,50079387,ELIPRODIL,180651,60703,OC(CN1CCC(CC2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1,"InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2",GGUSQTSTQSHJAH-UHFFFAOYSA-N
DB12870,5072-26-4,Buthionine sulfoximine,investigational,,,,,,,,,CHEMBL1256575,,,28714,21157,CCCCS(=N)(=O)CCC(N)C(O)=O,"InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)",KJQFBVYMGADDTQ-UHFFFAOYSA-N
DB12871,1261982-91-5,Burlulipase,investigational,,,,,,,,,,,,,,,,
DB12872,109319-16-6,Vonicog alfa,"['approved', 'investigational']","['26239086', '28379876', '25712991', '18263586', '28276537']",,,1812589,,,,,,,,,,,,
DB12873,23261-20-3,Dianhydrogalactitol,investigational,,,,,,,,ZINC000004963497,CHEMBL3137322,,NSC-132313,,15942827,O[C@@H]([C@@H](O)[C@H]1CO1)[C@@H]1CO1,"InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-",AAFJXZWCNVJTMK-GUCUJZIJSA-N
DB12874,950769-58-1,Quizartinib,investigational,,L01XE52,D09955,,,P30,5341,ZINC000043204002,CHEMBL576982,50300690,ASP-2689,90217,24889392,CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OCCN3CCOCC3)=C4)=N2)=NO1,"InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)",CVWXJKQAOSCOAB-UHFFFAOYSA-N
DB12875,956274-94-5,Mavatrep,investigational,,,,,,,,ZINC000043175494,CHEMBL2364618,50086717,JNJ-39439335,,17751090,CC(C)(O)C1=CC=CC=C1C1=CC=C2N=C(NC2=C1)\C=C\C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+",ORDHXXHTBUZRCN-NTEUORMPSA-N
DB12876,1001094-46-7,GS-9256,investigational,,,,,,,,ZINC000150609284,CHEMBL1956820,,GS-9256,,24823649,COC1=C(Cl)C2=NC(=CC(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCCCC[C@@H]3C[C@]3(NC4=O)P(O)(=O)CC3=C(F)C=CC=C3F)NC(=O)OC3CCCC3)=C2C=C1)C1=CSC(NC(C)C)=N1,"InChI=1S/C46H56ClF2N6O8PS/c1-26(2)50-44-52-36(25-65-44)35-21-39(30-18-19-38(61-3)40(47)41(30)51-35)62-29-20-37-42(56)54-46(64(59,60)24-31-32(48)15-11-16-33(31)49)22-27(46)12-7-5-4-6-8-17-34(43(57)55(37)23-29)53-45(58)63-28-13-9-10-14-28/h11,15-16,18-19,21,25-29,34,37H,4-10,12-14,17,20,22-24H2,1-3H3,(H,50,52)(H,53,58)(H,54,56)(H,59,60)/t27-,29-,34+,37+,46+/m1/s1",RFGUWOCFYCYEDM-ZOMNBDOOSA-N
DB12877,60607-34-3,Oxatomide,"['approved', 'investigational']",,R06AE06,D01773,54236,PA163522137,,2014,ZINC000019632896,CHEMBL13828,76863,"R 35,443",31943,4615,O=C1NC2=C(C=CC=C2)N1CCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)",BAINIUMDFURPJM-UHFFFAOYSA-N
DB12878,153152-32-0,AV-101,investigational,,,,,,,,ZINC000006092007,,,,,9859632,N[C@@H](CC(=O)C1=C(N)C=C(Cl)C=C1)C(O)=O,"InChI=1S/C10H11ClN2O3/c11-5-1-2-6(7(12)3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)/t8-/m0/s1",HQLHZNDJQSRKDT-QMMMGPOBSA-N
DB12879,181296-84-4,Omigapil,investigational,,,,,,DB0,,ZINC000033943510,CHEMBL1232111,,OMIGAPIL,41778,6419718,CN(CC#C)CC1=CC2=CC=CC=C2OC2=CC=CC=C12,"InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3",QLMMOGWZCFQAPU-UHFFFAOYSA-N
DB12880,,Interleukin-10,investigational,,,,1311299,,,,,,,,,,,,
DB12881,700-06-1,Indole-3-carbinol,investigational,,,,,,FXK,,ZINC000000158743,CHEMBL155625,,INDOLE-3-CARBINOL,24814,3712,OCC1=CNC2=CC=CC=C12,"InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2",IVYPNXXAYMYVSP-UHFFFAOYSA-N
DB12882,181816-48-8,Ombrabulin,investigational,,,,,,,,ZINC000001892617,CHEMBL572284,50147363,AVE8062,,6918405,COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1NC(=O)[C@@H](N)CO,"InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1",IXWNTLSTOZFSCM-YVACAVLKSA-N
DB12883,98224-03-4,Eltoprazine,investigational,,,,,,,,ZINC000000001347,CHEMBL282614,50035057,ELTOPRAZINE,,65853,C1CN(CCN1)C1=C2OCCOC2=CC=C1,"InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2",WVLHGCRWEHCIOT-UHFFFAOYSA-N
DB12884,76956-02-0,Lavoltidine,investigational,,,,,,,,ZINC000001532377,CHEMBL2110857,,LAVOLTIDINE,6550,55473,CN1N=C(CO)N=C1NCCCOC1=CC=CC(CN2CCCCC2)=C1,"InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)",VTLNPNNUIJHJQB-UHFFFAOYSA-N
DB12885,163042-96-4,CF-102,investigational,,,,,,,,ZINC000003995845,CHEMBL431733,21221,CF-102,,3035850,CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC=CC(I)=C3)N=C(Cl)N=C12,"InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1",IPSYPUKKXMNCNQ-PFHKOEEOSA-N
DB12886,1007573-18-3,GSK-1521498,investigational,,,,,,,,,CHEMBL4297383,,GSK1521498,,24737629,FC1=CC(=CC(F)=C1CNC1CC2=CC=CC=C2C1)C1=CC=CC(=C1)C1=NNC=N1,"InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)",WIEDUMBCZQRGSY-UHFFFAOYSA-N
DB12887,1403254-99-8,Tazemetostat,"['approved', 'investigational']","['29650364', '24563539', '31970877', '24531722', '29650362']",,,2274378,,,5380,ZINC000100285161,CHEMBL3414621,172038,EPZ-6438,,66558664,CCN(C1CCOCC1)C1=C(C)C(=CC(=C1)C1=CC=C(CN2CCOCC2)C=C1)C(=O)NCC1=C(C)C=C(C)NC1=O,"InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)",NSQSAUGJQHDYNO-UHFFFAOYSA-N
DB12888,945531-77-1,Ezutromid,investigational,,,,,,,,ZINC000071297091,CHEMBL1773683,50519636,EZUTROMID,,25109292,CCS(=O)(=O)C1=CC=C2OC(=NC2=C1)C1=CC=C2C=CC=CC2=C1,"InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3",KSGCNXAZROJSNW-UHFFFAOYSA-N
DB12889,342577-38-2,Velneperit,investigational,,,,,,,,,CHEMBL2016681,50380914,S-2367,,,CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1=NC=C(C=C1)C(F)(F)F,"InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-",WGEWUYACXPEFPO-AULYBMBSSA-N
DB12890,123039-93-0,Dihydrexidine,investigational,,,,,,,,ZINC000026746094,CHEMBL4280145,,,,5311070,OC1=C(O)C=C2[C@H]3[C@H](CCC2=C1)NCC1=CC=CC=C31,"InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1",BGOQGUHWXBGXJW-YOEHRIQHSA-N
DB12891,1310680-64-8,Ozanezumab,investigational,,,,,,,,,,,,,,,,
DB12892,1000277-08-6,MGB-BP-3,investigational,,,,,,,,ZINC000028864451,CHEMBL236345,,MGB-BP-3,,23730143,CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC=C(\C=C\C4=CN=C5C=CC=CC5=C4)C=C3)=CN2C)C=C1C(=O)NCCN1CCOCC1,"InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+",OEKXCVYZBVOWBR-BQYQJAHWSA-N
DB12893,1491917-83-9,Sacituzumab govitecan,"['approved', 'investigational']","['29031818', '30931493', '29989029', '8253531', '31415916', '28558150', '30507322', '21372224', '7493360']",,,2360232,,,,,,,,,,,,
DB12894,119644-22-3,Raluridine,investigational,,,,,,,,ZINC000001851238,CHEMBL2106991,,935-U-83,,451480,OC[C@H]1O[C@H](C[C@@H]1F)N1C=C(Cl)C(=O)NC1=O,"InChI=1S/C9H10ClFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)/t5-,6+,7+/m0/s1",WKVDSZYIGHLONN-RRKCRQDMSA-N
DB12895,1450824-22-2,TD-139,investigational,,,,,,TD2,,ZINC000208938373,CHEMBL4297442,,GB0139,,73774610,OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)N2C=C(N=N2)C2=CC=CC(F)=C2)[C@H](O)[C@H]([C@H]1O)N1C=C(N=N1)C1=CC(F)=CC=C1,"InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1",YGIDGBAHDZEYMT-MQFIMZJJSA-N
DB12896,1199809-32-9,PSI-352938,investigational,,,,,,,,ZINC000068243819,,,,,45102284,CCOC1=C2N=CN([C@@H]3O[C@@H]4CO[P@@](=O)(OC(C)C)O[C@H]4[C@@]3(C)F)C2=NC(N)=N1,"InChI=1S/C16H23FN5O6P/c1-5-24-13-10-12(20-15(18)21-13)22(7-19-10)14-16(4,17)11-9(26-14)6-25-29(23,28-11)27-8(2)3/h7-9,11,14H,5-6H2,1-4H3,(H2,18,20,21)/t9-,11-,14-,16-,29+/m1/s1",PVRFQJIRERYGTQ-DSQUMVBZSA-N
DB12897,1227923-29-6,MK-7622,investigational,,,,,,,,ZINC000095930184,CHEMBL4078588,50240692,MK7622,,46207733,CC1=CC=C(CC2=CC3=C(N=CN([C@H]4CCCC[C@@H]4O)C3=O)C3=CC=CC=C23)C=N1,"InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1",JUVQLZBJFOGEEO-GOTSBHOMSA-N
DB12898,57014-02-5,Calcitonin eel,investigational,,,,,,,,,,,,,,,,
DB12899,886208-76-0,TT-301,investigational,,,,,,,,,CHEMBL4297448,,MW-01-6-189WH,,54576073,C1CN(CCN1C1=NC=CC=N1)C1=C(C=C(N=N1)C1=CC=CC=C1)C1=CC=NC=C1,"InChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2",ZPJGUEPHFXPAQF-UHFFFAOYSA-N
DB12900,1005402-19-6,Irdabisant,investigational,,,,,,,,ZINC000068250418,CHEMBL1829335,50350021,IRDABISANT,177564,25070031,C[C@@H]1CCCN1CCCOC1=CC=C(C=C1)C1=NNC(=O)C=C1,"InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1",XUKROCVZGZNGSI-CQSZACIVSA-N
DB12901,69123-90-6,Fiacitabine,investigational,,,,,,,,ZINC000017142919,CHEMBL272557,,FIACITABINE,,50312,NC1=NC(=O)N(C=C1I)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,"InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1",GIMSJJHKKXRFGV-BYPJNBLXSA-N
DB12902,22089-22-1,Trofosfamide,investigational,,L01AA07,,38865,,,2766,,CHEMBL462019,,TROFOSFAMIDE,135381,65702,ClCCN(CCCl)P1(=O)OCCCN1CCCl,"InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2",UMKFEPPTGMDVMI-UHFFFAOYSA-N
DB12903,1265229-25-1,DEBIO-1347,investigational,,,,,,LWJ,,ZINC000098209140,CHEMBL3907479,50197683,,,66555680,CC1=NC2=CC=C(C=C2N1)N1N=CC(C(=O)C2=CC3=CC=CC=C3N2)=C1N,"InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)",BEMNJULZEQTDJY-UHFFFAOYSA-N
DB12904,475110-96-4,ZSTK-474,investigational,,,,,,ZS4,,ZINC000001912926,CHEMBL586702,50315213,ZSTK-474,90545,11647372,FC(F)C1=NC2=CC=CC=C2N1C1=NC(=NC(=N1)N1CCOCC1)N1CCOCC1,"InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2",HGVNLRPZOWWDKD-UHFFFAOYSA-N
DB12905,15766-00-4,Samarium Sm-153,investigational,,,,196342,,,,,,,,,114941,[153Sm],InChI=1S/Sm/i1+3,KZUNJOHGWZRPMI-AKLPVKDBSA-N
DB12906,892128-60-8,LY-2334737,investigational,,,,,,,,ZINC000035996916,CHEMBL577711,,LY-2334737,,11646777,CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,"InChI=1S/C17H25F2N3O5/c1-3-5-10(6-4-2)14(25)20-12-7-8-22(16(26)21-12)15-17(18,19)13(24)11(9-23)27-15/h7-8,10-11,13,15,23-24H,3-6,9H2,1-2H3,(H,20,21,25,26)/t11-,13-,15-/m1/s1",MEOYFIHNRBNEPI-UXIGCNINSA-N
DB12907,3458-28-4,Mannose,investigational,,,,6633,,DNO,,ZINC000002556396,,,,37675,161658,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C=O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1",GZCGUPFRVQAUEE-KVTDHHQDSA-N
DB12908,716840-32-3,Denenicokin,investigational,,,,,,,,,,,,,,,,
DB12909,9013-56-3,Factor XIII (human),"['approved', 'investigational']","['19141159', '25458735', '27019464']",,,4271,,,,,,,,,,,,
DB12910,786701-13-1,Emicerfont,investigational,,,,,,,,ZINC000006716350,CHEMBL514270,50412798,GW-876008,177452,11223423,COC1=CC=C(N2CCC3=C2N=C(C)C=C3N2C=CC(=N2)N2CCNC2=O)C(C)=C1,"InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)",JFHJGXQFESYQGY-UHFFFAOYSA-N
DB12911,13912-80-6,Nicoboxil,"['approved', 'investigational']","['13825636', '19588430', '28008281', '25929250']",,D01677,235788,,,,ZINC000002020020,CHEMBL2105161,,BETA-BUTOXYETHYL NICOTINATE,32322,14866,CCCCOCCOC(=O)C1=CN=CC=C1,"InChI=1S/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3",IZJRISIINLJVBU-UHFFFAOYSA-N
DB12912,147149-76-6,Nolatrexed,investigational,,,,,,7Z9,,ZINC000000008107,CHEMBL320775,50046657,NOLATREXED,,135400184,CC1=CC=C2N=C(N)NC(=O)C2=C1SC1=CC=NC=C1,"InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19)",XHWRWCSCBDLOLM-UHFFFAOYSA-N
DB12914,920509-32-6,MGL-3196,investigational,,,,,,,,ZINC000034842512,CHEMBL3261331,50012905,VIA-3196,,15981237,CC(C)C1=CC(OC2=C(Cl)C=C(C=C2Cl)N2N=C(C#N)C(=O)NC2=O)=NNC1=O,"InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)",FDBYIYFVSAHJLY-UHFFFAOYSA-N
DB12915,1312542-61-2,Corticorelin acetate,investigational,,,,,,,,,,,,,,,,
DB12916,10318-26-0,Mitolactol,investigational,,,,,,,857,ZINC000004216958,CHEMBL2104612,,NSC-104800,135311,5284380,O[C@@H](CBr)[C@@H](O)[C@@H](O)[C@H](O)CBr,"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4+,5+,6-",VFKZTMPDYBFSTM-GUCUJZIJSA-N
DB12917,1418205-77-2,Bimekizumab,"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB12919,40312-34-3,T-62,investigational,,,,,,,,ZINC000000411286,CHEMBL57997,50080540,,,855908,NC1=C(C(=O)C2=CC=C(Cl)C=C2)C2=C(CCCC2)S1,"InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2",OTZVBZFYMFTYKH-UHFFFAOYSA-N
DB12920,1380288-87-8,Pinometostat,investigational,,,,,,EP6,,ZINC000168212088,CHEMBL3414626,50075098,EPZ-5676,,,[H][C@]1(CCC2=NC3=C(N2)C=C(C=C3)C(C)(C)C)C[C@]([H])(C1)N(C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(C)C,"InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1",LXFOLMYKSYSZQS-LURJZOHASA-N
DB12921,97919-22-7,Chlorsulfaquinoxaline,investigational,,,,,,,,ZINC000001578344,CHEMBL1905073,97028,NSC-339004,,72462,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=CC=CC(Cl)=C2N=C1,"InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)",CTSNHMQGVWXIEG-UHFFFAOYSA-N
DB12923,16662-47-8,Gallopamil,investigational,,C08DA02,,4648,,,1275,,CHEMBL51149,82061,D-600,34772,1234,COC1=CC(=CC(OC)=C1OC)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C,"InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3",XQLWNAFCTODIRK-UHFFFAOYSA-N
DB12924,245765-41-7,Ozenoxacin,"['approved', 'investigational']","['25209519', '21261881']",D06AX14,,1994739,,,5058,ZINC000001483896,CHEMBL3990047,,OZENOXACIN,136050,9863827,CNC1=NC=C(C=C1C)C1=CC=C2C(=O)C(=CN(C3CC3)C2=C1C)C(O)=O,"InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)",XPIJWUTXQAGSLK-UHFFFAOYSA-N
DB12925,1000852-17-4,Crolibulin,investigational,,,,,,BG0,,ZINC000038153934,CHEMBL2103852,,EPC 2407,177518,23649181,COC1=CC(=CC(Br)=C1OC)[C@@H]1C2=CC=C(N)C(N)=C2OC(N)=C1C#N,"InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3/t14-/m1/s1",JXONINOYTKKXQQ-CQSZACIVSA-N
DB12926,58166-83-9,Cafedrine,investigational,,C01CA21,,47589,,,462,ZINC000001843137,,,,135510,5489638,C[C@H](NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C)[C@H](O)C1=CC=CC=C1,"InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3/t12-,15-/m0/s1",UJSKUDDDPKGBJY-WFASDCNBSA-N
DB12927,13460-98-5,Theodrenaline,investigational,,C01CA23,,31958,,,2619,,CHEMBL2107608,,THEODRENALINE,135580,71857,CN1C2=C(N(CCNCC(O)C3=CC(O)=C(O)C=C3)C=N2)C(=O)N(C)C1=O,"InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3",WMCMJIGLYZDKRN-UHFFFAOYSA-N
DB12928,202402-01-5,GET-73,investigational,,,,,,,,,CHEMBL4297543,,GET-73,,10221200,COCCCC(=O)NCC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C13H16F3NO2/c1-19-8-2-3-12(18)17-9-10-4-6-11(7-5-10)13(14,15)16/h4-7H,2-3,8-9H2,1H3,(H,17,18)",QLZOWJNFLXSDSH-UHFFFAOYSA-N
DB12929,959740-39-7,JNJ-39220675,investigational,,,,,,,,ZINC000053298428,CHEMBL1171754,50321467,JNJ-39220675,,24771368,FC1=CC=C(OC2=CC=C(C=N2)C(=O)N2CCCN(CC2)C2CCC2)C=C1,"InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2",IQOWHZHNGJXGHG-UHFFFAOYSA-N
DB12930,315-72-0,Opipramol,investigational,,N06AA05,,7674,PA144614922,,1993,ZINC000021981303,CHEMBL370753,50170636,OPIPRAMOL DIHYDROCHLORIDE,94614,9417,OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1,"InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2",YNZFUWZUGRBMHL-UHFFFAOYSA-N
DB12931,57653-26-6,Fenobam,investigational,,,,,,D7W,,ZINC000000001436,CHEMBL239800,50105838,FENOBAM,92728,135497698,CN1CC(=O)N=C1NC(=O)NC1=CC=CC(Cl)=C1,"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)",DWPQODZAOSWNHB-UHFFFAOYSA-N
DB12932,1190083-57-8,Merotocin,investigational,,,,,,,,,,,,,,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC1=CC=C(F)C=C1,"InChI=1S/C48H68FN11O12S/c1-5-27(4)42-47(71)56-32(16-17-37(50)62)44(68)57-35(21-38(51)63)45(69)58-36(25-73-18-6-7-40(65)54-34(46(70)59-42)20-28-10-14-31(61)15-11-28)48(72)60(23-29-8-12-30(49)13-9-29)24-41(66)55-33(19-26(2)3)43(67)53-22-39(52)64/h8-15,26-27,32-36,42,61H,5-7,16-25H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t27-,32-,33-,34-,35-,36-,42-/m0/s1",PVVHQWISMVJHFK-NIFJBHDKSA-N
DB12933,874101-00-5,RO-4987655,investigational,,,,,,3OR,,ZINC000043103796,CHEMBL1614766,50338038,CH-4987655,,11548630,OCCONC(=O)C1=CC(CN2OCCCC2=O)=C(F)C(F)=C1NC1=CC=C(I)C=C1F,"InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)",FIMYFEGKMOCQKT-UHFFFAOYSA-N
DB12934,594842-13-4,Granotapide,investigational,,,,,,,,ZINC000003926851,CHEMBL4297618,,JTT-130,,11607299,CCOC(=O)C(COC(=O)CC1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C(=C1)C(=O)N(C)C)(C(=O)OCC)C1=CC=CC=C1,"InChI=1S/C39H37F3N2O8/c1-5-50-36(48)38(37(49)51-6-2,27-12-8-7-9-13-27)24-52-33(45)23-25-16-21-32(31(22-25)35(47)44(3)4)43-34(46)30-15-11-10-14-29(30)26-17-19-28(20-18-26)39(40,41)42/h7-22H,5-6,23-24H2,1-4H3,(H,43,46)",FPUQGCOBYOXAED-UHFFFAOYSA-N
DB12935,442201-24-3,Remogliflozin etabonate,investigational,,,,,,,,ZINC000003979756,CHEMBL2028665,,GSK-189075A,177541,9871420,CCOC(=O)OC[C@H]1O[C@@H](OC2=NN(C(C)C)C(C)=C2CC2=CC=C(OC(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1",UAOCLDQAQNNEAX-ABMICEGHSA-N
DB12937,1111616-69-3,Quercetin-3'-O-phosphate,investigational,,,,,,,,,CHEMBL4297397,,LIM-0705,,20833257,OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OP(O)(O)=O)=C(O)C=C1,"InChI=1S/C15H11O10P/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H2,21,22,23)",UWJBYNLLMAPJMM-UHFFFAOYSA-N
DB12938,141112-29-0,Isoxaflutole,"['experimental', 'approved', 'investigational']",,,,1371313,,,,ZINC000002384341,CHEMBL1887147,,MERLIN,141213,84098,[H]C1=NOC(=C1C(=O)C1=C(C([H])=C(C([H])=C1[H])C(F)(F)F)S(=O)(=O)C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],"InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3",OYIKARCXOQLFHF-UHFFFAOYSA-N
DB12939,59456-70-1,Nikkomycin Z,investigational,,,,,,,,ZINC000029246385,CHEMBL35306,50089541,,623918,456557,C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)C(O)=O)[C@H](O)C1=CC=C(O)C=N1,"InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1",WWJFFVUVFNBJTN-VHDFTHOZSA-N
DB12940,14762-55-1,Helium He-3,investigational,,,,,,,,,,,,30218,6857639,[3He],InChI=1S/He/i1-1,SWQJXJOGLNCZEY-BJUDXGSMSA-N
DB12941,1297538-32-9,Darolutamide,"['approved', 'investigational']","['30197098', '31571095', '31695432', '26313416', '28801852']",L02BB06,,2180325,,,5334,,CHEMBL4297185,309979,NUBEQA,,67171867,C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)O,"InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1",BLIJXOOIHRSQRB-PXYINDEMSA-N
DB12942,585-86-4,Lactitol,"['approved', 'investigational']","['29132732', '27153247', '17623227']",A06AD12,D08266,28395,,,1534,ZINC000005225520,CHEMBL1661,50240023,IMPORTAL,75323,157355,OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1",VQHSOMBJVWLPSR-JVCRWLNRSA-N
DB12943,899796-83-9,Milatuzumab,investigational,,,,,,,,,,,,,,,,
DB12944,108-73-6,Phloroglucinol,investigational,,A03AX12,,8196,,13X,2153,ZINC000000391883,CHEMBL473159,50249069,SPASFON-LYOC,16204,359,OC1=CC(O)=CC(O)=C1,"InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H",QCDYQQDYXPDABM-UHFFFAOYSA-N
DB12945,484-23-1,Dihydralazine,"['experimental', 'approved']",,"['C02LG01', 'C02DB01', 'C02LG51']",,3409,,,884,ZINC000004474539,CHEMBL35505,50088433,DIHYDRALAZINE,134841,10230,NNC1=C2C=CC=CC2=C(NN)N=N1,"InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)",VQKLRVZQQYVIJW-UHFFFAOYSA-N
DB12946,102146-07-6,"8-cyclopentyl-1,3-dipropylxanthine",investigational,,,,,,,,ZINC000003977757,CHEMBL183,21173,,73282,1329,CCCN1C2=C(N=C(N2)C2CCCC2)C(=O)N(CCC)C1=O,"InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)",FFBDFADSZUINTG-UHFFFAOYSA-N
DB12947,3094-09-5,Doxifluridine,investigational,,,D01309,,,,958,ZINC000001319177,CHEMBL1130,50132295,DOXIFLURIDINE,31521,18343,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O,"InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1",ZWAOHEXOSAUJHY-ZIYNGMLESA-N
DB12948,69839-83-4,Didox,investigational,,,,,,,,ZINC000003872288,CHEMBL367788,,,184074,3045,ONC(=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)",QJMCKEPOKRERLN-UHFFFAOYSA-N
DB12949,1400811-63-3,PF-03382792,investigational,,,,,,,,,CHEMBL2179582,50398588,PF-03382792,,71451950,CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)C2=CC(F)=CC=C12,"InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)",AGMOFKKOVMRGAK-UHFFFAOYSA-N
DB12950,1613273-96-3,Albusomatropin,investigational,,,,,,,,,,,,,,,,
DB12951,69542-93-4,Pivagabine,investigational,,N06AX15,,,,,2216,ZINC000001545856,CHEMBL1870796,,CXB722,134834,68888,CC(C)(C)C(=O)NCCCC(O)=O,"InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)",SRPNQDXRVRCTNK-UHFFFAOYSA-N
DB12952,91523-05-6,Methylprednisone,"['approved', 'investigational']",,,,,,,,ZINC000004744090,,,,,124653,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,"InChI=1S/C22H28O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,19,23,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,19+,20-,21-,22-/m0/s1",SVYCRJXQZUCUND-PQXSVQADSA-N
DB12953,272105-42-7,Disitertide,investigational,,,,,,,,,,,,,,,,
DB12954,25683-71-0,Terizidone,"['approved', 'investigational']",,J04AK03,,57047,,,2602,,CHEMBL2107553,,TERIZIDONE,135278,,O=C1NOCC1\N=C\C1=CC=C(\C=N\C2CONC2=O)C=C1,"InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)/b15-5+,16-6+",ODKYYBOHSVLGNU-IAGONARPSA-N
DB12955,872454-31-4,Delparantag,investigational,,,,,,,,,CHEMBL2107820,,PMX 60056,177753,51349239,COC1=CC=C(NC(=O)[C@H](CCCCN)NC(=O)C2=CC(NC(=O)[C@H](CCCCN)NC(=O)C3=CC(NC(=O)[C@H](CCCCN)NC(=O)C4=CC(NC(=O)[C@@H](N)CCCCN)=CC=C4OC)=CC=C3OC)=CC=C2OC)C=C1C(N)=O,"InChI=1S/C56H79N13O12/c1-78-45-21-17-33(29-37(45)49(62)70)64-54(75)42(14-6-10-26-58)67-51(72)39-31-35(19-23-47(39)80-3)66-56(77)44(16-8-12-28-60)69-52(73)40-32-36(20-24-48(40)81-4)65-55(76)43(15-7-11-27-59)68-50(71)38-30-34(18-22-46(38)79-2)63-53(74)41(61)13-5-9-25-57/h17-24,29-32,41-44H,5-16,25-28,57-61H2,1-4H3,(H2,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)(H,68,71)(H,69,73)/t41-,42-,43-,44-/m0/s1",PWFIFNGOPQUNIT-ITMZJIMRSA-N
DB12956,1345009-45-1,Vantictumab,investigational,,,,,,,,,,,,,,,,
DB12957,10356-76-0,5-fluoro-2'-deoxycytidine,investigational,,,,,,B86,,ZINC000017311164,CHEMBL1076257,50311540,,,515328,NC1=NC(=O)N(C=C1F)[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1",IDYKCXHJJGMAEV-RRKCRQDMSA-N
DB12958,303-69-5,Prothipendyl,investigational,,N05AX07,,55244,,,2315,ZINC000000001996,CHEMBL2111030,,PROTHIPENDYL HYDROCHLORIDE,135182,14670,CN(C)CCCN1C2=CC=CC=C2SC2=C1N=CC=C2,"InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3",JTTAUPUMOLRVRA-UHFFFAOYSA-N
DB12959,1191252-49-9,IOWH-032,investigational,,,,,,,,ZINC000068151296,CHEMBL4297392,,IOWH-032,,135565181,OC1=C(Br)C=C(C=C1Br)C1=NOC(=N1)C(=O)NCC1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,28H,12H2,(H,25,29)",DSFNLJXHXBIKDS-UHFFFAOYSA-N
DB12960,869769-98-2,INCB-9471,investigational,,,,,,,,ZINC000043171152,CHEMBL1688243,50339033,INCB-009471,,49871007,CCO[C@@H]1CC2=CC(=CC=C2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C(F)(F)F,"InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1",ZMCJFJZOSKEMOM-DNKZPPIMSA-N
DB12961,71160-24-2,Leukotriene B4,investigational,,,,,,LTB,,ZINC000004623738,CHEMBL65061,50013889,,15647,5280492,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1",VNYSSYRCGWBHLG-AMOLWHMGSA-N
DB12962,252003-65-9,CP-547632,investigational,,,,,,BFF,,ZINC000003834191,CHEMBL253969,25115,PAN 90806,,9811611,NC(=O)C1=C(NC(=O)NCCCCN2CCCC2)SN=C1OCC1=C(F)C=C(Br)C=C1F,"InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)",HXHAJRMTJXHJJZ-UHFFFAOYSA-N
DB12963,1010073-75-2,CCX-354,investigational,,,,,,,,,CHEMBL4444976,50518184,CCX354,,135565361,COC1=CC(=CC=C1Cl)N1CCN(CC1)C(=O)CN1N=C(C2=NC=CN2)C2=CC=CN=C12,"InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)",ZIMLRKWQDLVPEK-UHFFFAOYSA-N
DB12964,143257-98-1,Lerisetron,investigational,,,,,,,,ZINC000000007943,CHEMBL56900,50103072,LERISETRON,,65997,C(N1C2=CC=CC=C2N=C1N1CCNCC1)C1=CC=CC=C1,"InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2",PWWDCRQZITYKDV-UHFFFAOYSA-N
DB12965,7440-22-4,Silver,"['approved', 'investigational']","['18245232', '27899918', '21188244', '22484380']",D08AL30,,9785,,,,,,,,30512,23954,[Ag],InChI=1S/Ag,BQCADISMDOOEFD-UHFFFAOYSA-N
DB12966,196612-93-8,Falnidamol,investigational,,,,,,,,ZINC000001494443,CHEMBL258940,50375639,BIBX-1382,93243,6918508,CN1CCC(CC1)NC1=NC=C2N=CN=C(NC3=CC=C(F)C(Cl)=C3)C2=N1,"InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)",FTFRZXFNZVCRSK-UHFFFAOYSA-N
DB12967,459-86-9,Mitoguazone,investigational,,L01XX16,,,,MGB,3362,ZINC000004557060,CHEMBL216913,,MITOGUAZONE,43996,5351154,C\C(\C=N\N=C(N)N)=N/N=C(N)N,"InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+",MXWHMTNPTTVWDM-NXOFHUPFSA-N
DB12968,58484-17-6,DONU,investigational,,,,,,,,,,,,,,O[C@H]1CCC[C@@H](O)[C@@H]1NC(=O)N(CCCl)N=O,"InChI=1S/C9H16ClN3O4/c10-4-5-13(12-17)9(16)11-8-6(14)2-1-3-7(8)15/h6-8,14-15H,1-5H2,(H,11,16)/t6-,7+,8+",BQIFCAGMUAMYDV-JIGDXULJSA-N
DB12969,10284-63-6,Methylinositol,investigational,,,,1435864,,,,ZINC000100016113,CHEMBL493737,50275563,PINITOL,28548,,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1",DSCFFEYYQKSRSV-KLJZZCKASA-N
DB12970,921-60-8,Levoglucose,investigational,,,,1788981,,,,ZINC000100021546,,,,37626,10954115,OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1",GZCGUPFRVQAUEE-VANKVMQKSA-N
DB12971,189198-30-9,Pactimibe,investigational,,,,,PA165949675,,,ZINC000001545445,CHEMBL478858,50263192,PACTIMIBE,,3081927,CCCCCCCCN1CCC2=C1C(NC(=O)C(C)(C)C)=C(C)C(CC(O)=O)=C2C,"InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29)",TXIIZHHIOHVWJD-UHFFFAOYSA-N
DB12972,516-55-2,Sepranolone,investigational,,,,,,,,ZINC000003833954,CHEMBL2057301,50388495,SEPRANOLONE,11909,92787,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1",AURFZBICLPNKBZ-FZCSVUEKSA-N
DB12973,860642-69-9,Serlopitant,investigational,,,,,,,,,CHEMBL447955,50277511,VPD-737,,23653789,C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1C1=CC=C(F)C=C1)C1=CC(=O)CC1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1",FLNYCRJBCNNHRH-OIYLJQICSA-N
DB12974,1223498-69-8,Roniciclib,investigational,,,,,,,,ZINC000095616570,CHEMBL4282338,50468265,,,71494949,C[C@@H](O)[C@@H](C)OC1=C(C=NC(NC2=CC=C(C=C2)[S@](=N)(=O)C2CC2)=N1)C(F)(F)F,"InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1",UELYDGOOJPRWGF-SRQXXRKNSA-N
DB12975,74847-35-1,Pyronaridine,investigational,,P01BF06,,,,,4339,ZINC000003882897,CHEMBL35228,53353,PYRONARIDINE,135951,107771,COC1=NC2=C(NC3=CC(CN4CCCC4)=C(O)C(CN4CCCC4)=C3)C3=CC=C(Cl)C=C3N=C2C=C1,"InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)",DJUFPMUQJKWIJB-UHFFFAOYSA-N
DB12976,934235-44-6,Robatumumab,investigational,,,,,,,,,,,,,,,,
DB12977,910562-13-9,Simenepag isopropyl,investigational,,,,,,,,ZINC000036486826,CHEMBL2105710,,AGN-210669,,46902081,CCCCC[C@H](O)C1=CC=C(C=C1)N1[C@@H](COCC2=CC=C(S2)C(=O)OC(C)C)CCC1=O,"InChI=1S/C26H35NO5S/c1-4-5-6-7-23(28)19-8-10-20(11-9-19)27-21(12-15-25(27)29)16-31-17-22-13-14-24(33-22)26(30)32-18(2)3/h8-11,13-14,18,21,23,28H,4-7,12,15-17H2,1-3H3/t21-,23+/m1/s1",MSIIJNOQQWRTFC-GGAORHGYSA-N
DB12978,1029044-16-3,Pexidartinib,"['approved', 'investigational']","['31229240', '28716061', '22186992', '28117416', '28210073', '17527089', '30002809', '19443701']",,,2183102,,P31,5343,ZINC000115705166,CHEMBL3813873,50177716,PEXIDARTINIB,145373,25151352,FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1,"InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)",JGWRKYUXBBNENE-UHFFFAOYSA-N
DB12979,173997-05-2,Nepicastat,investigational,,,,,,,,ZINC000003936852,CHEMBL1188395,,SYN117,139334,9796181,NCC1=CNC(=S)N1[C@H]1CCC2=C(C1)C=C(F)C=C2F,"InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1",YZZVIKDAOTXDEB-JTQLQIEISA-N
DB12980,200484-11-3,CHS-828,investigational,,,,,,2QG,,ZINC000013282570,CHEMBL17289,50435350,CHS-828,95016,148198,ClC1=CC=C(OCCCCCCN\C(NC#N)=N\C2=CC=NC=C2)C=C1,"InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)",BOIPLTNGIAPDBY-UHFFFAOYSA-N
DB12981,1149705-71-4,XL-888,investigational,,,,,,99B,,ZINC000118868440,CHEMBL4297451,,XL-888,,,CC[C@@H](C)NC1=C(C=C(C)C(=C1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C1=CC=C(C=N1)C(=O)C1CC1)C(N)=O,"InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20-,21+,22-/m1/s1",LHGWWAFKVCIILM-HLRQEUIKSA-N
DB12982,7440-21-3,Silicon,"['approved', 'investigational']",,,,9774,,,,,,,,27573,5461123,[Si],InChI=1S/Si,XUIMIQQOPSSXEZ-UHFFFAOYSA-N
DB12983,574-93-6,Phthalocyanine,investigational,,,,1999764,,,,ZINC000012358610,CHEMBL262101,,,34921,8979,N1C2=C3C=CC=CC3=C1\N=C1/N=C(/N=C3\N=C(NC4=N\C(=N/2)C2=CC=CC=C42)C2=CC=CC=C32)C2=CC=CC=C12,"InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)",IEQIEDJGQAUEQZ-UHFFFAOYSA-N
DB12984,156294-36-9,Larotaxel,investigational,,,,,,,,ZINC000095627892,CHEMBL4279455,,XRP-9881,,6918260,CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@H]3[C@]4(C[C@H]4C[C@H]4OC[C@@]34OC(C)=O)C1=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1,"InChI=1S/C45H53NO14/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1",DXOJIXGRFSHVKA-BZVZGCBYSA-N
DB12985,875320-29-9,Quisinostat,investigational,,,,,,GOK,,ZINC000035836133,CHEMBL2105763,50105327,QUISINOSTAT,94771,11538455,CN1C=C(CNCC2CCN(CC2)C2=NC=C(C=N2)C(=O)NO)C2=CC=CC=C12,"InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)",PAWIYAYFNXQGAP-UHFFFAOYSA-N
DB12986,1246560-33-7,VS-5584,investigational,,,,,,,,ZINC000095644685,CHEMBL3393066,50059635,,,46912230,CC(C)N1C(C)=NC2=C(N=C(N=C12)N1CCOCC1)C1=CN=C(N)N=C1,"InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)",QYBGBLQCOOISAR-UHFFFAOYSA-N
DB12987,108030-77-9,Penclomedine,investigational,,,,,,,,ZINC000000003868,CHEMBL273124,,NSC-338720,,60203,COC1=C(Cl)C(OC)=C(Cl)C(=N1)C(Cl)(Cl)Cl,"InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3",DZVPGIORVGSQMC-UHFFFAOYSA-N
DB12988,425671-29-0,LY-518674,investigational,,,,,,,,ZINC000000595076,CHEMBL424133,50135780,LY-518674,,135449333,CC1=CC=C(CN2N=C(CCCC3=CC=C(OC(C)(C)C(O)=O)C=C3)NC2=O)C=C1,"InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)",PNHFDVSKDSLUFH-UHFFFAOYSA-N
DB12989,64296-20-4,Neosaxitoxin,investigational,,,,,,,,,CHEMBL4297307,,NEOSAXITOXIN,167561,21117946,[H][C@@]12N=C(N)N[C@]11N(CCC1(O)O)C(=N)N(O)[C@H]2COC(N)=O,"InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1",PPEKGEBBBBNZKS-HGRQIUPRSA-N
DB12990,1253909-57-7,Icosabutate,investigational,,,,,,,,,CHEMBL3707220,,NST-4016,,78210211,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CC)C(O)=O,"InChI=1S/C24H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-23(4-2)24(25)26/h5-6,8-9,11-12,14-15,17-18,23H,3-4,7,10,13,16,19-22H2,1-2H3,(H,25,26)/b6-5-,9-8-,12-11-,15-14-,18-17-",VOGXDRFFBBLZBT-AAQCHOMXSA-N
DB12991,89149-10-0,Deoxyspergualin,investigational,,,,,,,,ZINC000004215557,CHEMBL1172736,,,,91272,NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCNC(N)=N,"InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)/t16-/m0/s1",IDINUJSAMVOPCM-INIZCTEOSA-N
DB12992,37293-17-7,Bleomycin A6,investigational,,,,,,BY6,,,CHEMBL1231529,,BLEOMYCIN A6,,9877229,[H][C@]1(O[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2O[C@H]([C@H](NC(=O)C2=NC(=NC(N)=C2C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC2=NC(=CS2)C2=NC(=CS2)C(=O)NCCCNCCCCNCCCN)C2=CN=CN2)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O,"InChI=1S/C60H96N20O21S2/c1-25-38(77-51(80-49(25)64)30(17-36(63)84)72-18-29(62)50(65)90)55(94)79-40(46(31-19-69-24-73-31)99-59-48(44(88)42(86)34(20-81)98-59)100-58-45(89)47(101-60(66)96)43(87)35(21-82)97-58)56(95)74-27(3)41(85)26(2)52(91)78-39(28(4)83)54(93)71-16-9-37-75-33(23-102-37)57-76-32(22-103-57)53(92)70-15-8-14-68-12-6-5-11-67-13-7-10-61/h19,22-24,26-30,34-35,39-48,58-59,67-68,72,81-83,85-89H,5-18,20-21,61-62H2,1-4H3,(H2,63,84)(H2,65,90)(H2,66,96)(H,69,73)(H,70,92)(H,71,93)(H,74,95)(H,78,91)(H,79,94)(H2,64,77,80)/t26-,27+,28+,29-,30-,34-,35+,39-,40-,41-,42+,43+,44-,45-,46-,47-,48-,58+,59-/m0/s1",FOUFFVYWFNBHHH-YNGSZULRSA-N
DB12993,7440-40-6,Berkelium,investigational,,,,,,,,,,,,33391,23971,[Bk],InChI=1S/Bk,PWVKJRSRVJTHTR-UHFFFAOYSA-N
DB12994,949575-25-1,MIP-1095 I-123,investigational,,,,,,,,ZINC000101669568,CHEMBL498623,,,,25168442,OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NC1=CC=C([123I])C=C1)C(O)=O)C(O)=O,"InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1/i20-4",LFEGKCKGGNXWDV-NKNRFTOXSA-N
DB12996,61276-17-3,Acteoside,investigational,,,,,,,,ZINC000008234351,CHEMBL444478,50241867,,132853,5281800,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",FBSKJMQYURKNSU-ZLSOWSIRSA-N
DB12997,1224095-98-0,Brilacidin,investigational,,,,,,,,,CHEMBL2219413,,PMX 30063,,25023695,NC(=N)NCCCCC(=O)NC1=CC(=CC(NC(=O)C2=CC(=NC=N2)C(=O)NC2=C(O[C@@H]3CCNC3)C(NC(=O)CCCCNC(N)=N)=CC(=C2)C(F)(F)F)=C1O[C@@H]1CCNC1)C(F)(F)F,"InChI=1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54)/t23-,24-/m1/s1",QPDYBCZNGUJZDK-DNQXCXABSA-N
DB12998,846032-02-8,PF-00217830,investigational,,,,,,,,ZINC000034962169,CHEMBL1774080,50343277,PF-00217830,,11697676,O=C1CCC2=CC=C(OCCCCN3CCN(CC3)C3=CC=CC4=CC=CC=C34)N=C2N1,"InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)",QGNOXTFZOLDODX-UHFFFAOYSA-N
DB12999,1034474-19-5,MK-6186,investigational,,,,,,,,ZINC000073240561,CHEMBL1939499,50484632,MK6186,,24988948,ClC1=CC(OC2=C3C=NN(CC4=NNC5=NC=CC=C45)C3=CC=C2Cl)=CC(=C1)C#N,"InChI=1S/C21H12Cl2N6O/c22-13-6-12(9-24)7-14(8-13)30-20-16-10-26-29(19(16)4-3-17(20)23)11-18-15-2-1-5-25-21(15)28-27-18/h1-8,10H,11H2,(H,25,27,28)",FZBAOOQVQXATRL-UHFFFAOYSA-N
DB13000,871266-63-6,PCI-27483,investigational,,,,,,,,ZINC000043100782,CHEMBL4297315,,PCI-27483,,135425273,NC(=N)C1=CC=C2N=C(NC2=C1)C1=CC(CC(=O)N[C@@H](CC(O)=O)C(O)=O)=CC(=C1O)C1=CC(=CC=C1O)S(N)(=O)=O,"InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1",WDJHHCAKBRKCLW-IBGZPJMESA-N
DB13001,24237-54-5,Tinoridine,investigational,,,,,,,2672,ZINC000019313075,CHEMBL592943,50304470,TINORIDINE,135353,5480,CCOC(=O)C1=C(N)SC2=C1CCN(CC1=CC=CC=C1)C2,"InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3",PFENFDGYVLAFBR-UHFFFAOYSA-N
DB13002,848133-17-5,HKI-357,investigational,,,,,,,,ZINC000028124370,CHEMBL178654,50161908,HKI-357,,11238512,CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)=C(C=NC2=C1)C#N,"InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+",NERXPXBELDBEPZ-RMKNXTFCSA-N
DB13003,1110-40-3,Cortivazol,investigational,,H02AB17,,21660,,,736,ZINC000004215466,CHEMBL2105842,,CORTIVAZOL,135820,66249,C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)C=NN5C1=CC=CC=C1,"InChI=1S/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3/t19-,23+,25+,27+,29-,30+,31+,32+/m1/s1",RKHQGWMMUURILY-UHRZLXHJSA-N
DB13004,543906-09-8,Mavoglurant,investigational,,,,,,2U8,,ZINC000003817189,CHEMBL3087515,50443085,AFQ056,,9926832,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#CC1=CC(C)=CC=C1,"InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1",ZFPZEYHRWGMJCV-ZHALLVOQSA-N
DB13005,1020172-07-9,Rebastinib,investigational,,,,,,919,,ZINC000063933734,CHEMBL1738757,185674,REBASTINIB,62166,25066467,CNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC(=NN3C3=CC4=CC=CN=C4C=C3)C(C)(C)C)C(F)=C2)=CC=N1,"InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)",WVXNSAVVKYZVOE-UHFFFAOYSA-N
DB13006,1208243-50-8,Cibinetide,investigational,,,,,,,,,CHEMBL3545305,,ARA290,,91810664,CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O,"InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",WZTIQQBMSJTRBR-WYKNNRPVSA-N
DB13007,1346452-25-2,Enfortumab vedotin,"['approved', 'investigational']","['31823332', '31526130']",,,2268306,,,,,,,,,,,,
DB13008,79-96-9,"2,2-bis(4-hydroxy-3-tert-butylphenyl)propane",investigational,,,,2267021,,,,ZINC000002565953,,,,,66237,CC(C)(C)C1=CC(=CC=C1O)C(C)(C)C1=CC=C(O)C(=C1)C(C)(C)C,"InChI=1S/C23H32O2/c1-21(2,3)17-13-15(9-11-19(17)24)23(7,8)16-10-12-20(25)18(14-16)22(4,5)6/h9-14,24-25H,1-8H3",ZDRSNHRWLQQICP-UHFFFAOYSA-N
DB13009,10605-21-7,Carbendazim,investigational,,,,,,,,ZINC000000043475,CHEMBL70971,50116313,CARBENDAZIM,3392,25429,COC(=O)NC1=NC2=CC=CC=C2N1,"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)",TWFZGCMQGLPBSX-UHFFFAOYSA-N
DB13010,500863-50-3,4-isothioureidobutyronitrile,investigational,,,,,,,,ZINC000004642990,CHEMBL4297540,,THIOUREIDOBUTYRONITRILE,,437740,NC(=N)SCCCC#N,"InChI=1S/C5H9N3S/c6-3-1-2-4-9-5(7)8/h1-2,4H2,(H3,7,8)",PRDJGNVQBVXXEO-UHFFFAOYSA-N
DB13011,119422-08-1,Diethylhomospermine,investigational,,,,,,,,ZINC000005650422,CHEMBL77101,,DIETHYLHOMOSPERMINE,,60702,CCNCCCCNCCCCNCCCCNCC,"InChI=1S/C16H38N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h17-20H,3-16H2,1-2H3",QXOCYGPVDXDFLC-UHFFFAOYSA-N
DB13012,782487-28-9,AQX-1125,investigational,,,,,,,,,CHEMBL3989954,,AQX-1125,,76965484,C[C@]12CC[C@@H]([C@@H](CN)[C@@H]1CCC2=C)[C@@]1(C)CC[C@H](O)C[C@@H]1CO,"InChI=1S/C20H35NO2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1",MDEJTPWQNNMAQF-BVMLLJBZSA-N
DB13013,1160959-55-6,LFF-571,investigational,,,,,,,,,CHEMBL2063705,,LFF-571,,,CNC(=O)C[C@@H]1NC(=O)C2=CSC(=N2)C2=CC=C(N=C2C2=CSC(=N2)C2=CSC(=N2)[C@@H](NC(=O)CNC(=O)C2=C(COC)SC(=N2)[C@@H](NC(=O)C2=C(C)SC1=N2)C(C)C)[C@@H](O)C1=CC=CC=C1)C1=NC(=CS1)N(CCCCC(O)=O)C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O,"InChI=1S/C60H63N13O13S6/c1-28(2)44-58-72-47(39(92-58)23-85-5)51(80)62-22-42(75)69-48(49(78)30-11-7-6-8-12-30)57-67-38(26-89-57)55-65-36(24-88-55)46-33(53-66-37(25-87-53)50(79)64-35(21-41(74)61-4)56-71-45(29(3)91-56)52(81)70-44)18-19-34(63-46)54-68-40(27-90-54)73(20-10-9-13-43(76)77)60(84)86-32-16-14-31(15-17-32)59(82)83/h6-8,11-12,18-19,24-28,31-32,35,44,48-49,78H,9-10,13-17,20-23H2,1-5H3,(H,61,74)(H,62,80)(H,64,79)(H,69,75)(H,70,81)(H,76,77)(H,82,83)/t31-,32-,35-,44-,48-,49-/m0/s1",GNLYKLDXQZHYTR-LMOGNUDZSA-N
DB13014,548-04-9,Hypericin,investigational,,,,1546455,,,,ZINC000003780340,CHEMBL286494,50060874,SGX-301,5835,,CC1=C2C3=C(C)C=C(O)C4=C3C3=C5C2=C(C(O)=C1)C(=O)C1=C5C(=C(O)C=C1O)C1=C(O)C=C(O)C(C4=O)=C31,"InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3",BTXNYTINYBABQR-UHFFFAOYSA-N
DB13016,889116-06-7,LY-2300559,investigational,,,,,,,,,CHEMBL4297398,,LY-2300559,,11611800,CCCC1=C(OCC2=CC=C(C=C2)[C@H](O)C2=CC=CC(=C2)C(O)=O)C=CC(C(C)=O)=C1O,"InChI=1S/C26H26O6/c1-3-5-22-23(13-12-21(16(2)27)25(22)29)32-15-17-8-10-18(11-9-17)24(28)19-6-4-7-20(14-19)26(30)31/h4,6-14,24,28-29H,3,5,15H2,1-2H3,(H,30,31)/t24-/m0/s1",DWQVYDLTPMGYNE-DEOSSOPVSA-N
DB13017,1613313-09-9,Rovalpituzumab tesirine,investigational,,,,,,,,,,,,,,,,
DB13018,126100-97-8,Dimiracetam,investigational,,,,,,,,,CHEMBL337612,,DIMIRACETAM,,65955,O=C1CN2C(CCC2=O)N1,"InChI=1S/C6H8N2O2/c9-5-3-8-4(7-5)1-2-6(8)10/h4H,1-3H2,(H,7,9)",XTXXOHPHLNROBN-UHFFFAOYSA-N
DB13019,1239269-51-2,Henatinib,investigational,,,,,,,,,CHEMBL1277072,50331032,HENATINIB,,25116064,CC1=C(NC2=C1C(=O)N(C[C@H](O)CN1CCOCC1)CCC2)\C=C1/C(=O)NC2=CC=C(F)C=C12,"InChI=1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28-24(19)32)27-21-3-2-6-30(25(33)23(15)21)14-17(31)13-29-7-9-34-10-8-29/h4-5,11-12,17,27,31H,2-3,6-10,13-14H2,1H3,(H,28,32)/b19-12-/t17-/m1/s1",MCTXSDCWFQAGFS-UEXNTNOUSA-N
DB13020,287405-51-0,Apratastat,investigational,,,,,,,,ZINC000028571311,CHEMBL206815,50181008,APRATASTAT,177520,11452716,CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)C1=CC=C(OCC#CCO)C=C1,"InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1",MAVDNGWEBZTACC-HNNXBMFYSA-N
DB13021,813466-05-6,123I-iodometomidate,investigational,,,,,,,,,CHEMBL260402,,,,11660398,COC(=O)C1=CN=CN1[C@H](C)C1=CC=C(I)C=C1,"InChI=1S/C13H13IN2O2/c1-9(10-3-5-11(14)6-4-10)16-8-15-7-12(16)13(17)18-2/h3-9H,1-2H3/t9-/m1/s1",KECBLXVYTIVCTG-SECBINFHSA-N
DB13022,1254473-64-7,LY-2874455,investigational,,,,,,6LF,,ZINC000073069242,CHEMBL3828009,50189781,,,46944259,C[C@@H](OC1=CC=C2NN=C(\C=C\C3=CN(CCO)N=C3)C2=C1)C1=C(Cl)C=NC=C1Cl,"InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1",GKJCVYLDJWTWQU-CXLRFSCWSA-N
DB13023,64202-81-9,IPI-493,investigational,,,,,,,,,CHEMBL339231,,,,9893658,CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O,"InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1",XYFFWTYOFPSZRM-TWNAANEASA-N
DB13024,1030612-90-8,MK-8245,investigational,,,,,,,,ZINC000043195878,CHEMBL1938870,50362592,MK-8245,,24988881,OC(=O)CN1N=NC(=N1)C1=CC(=NO1)N1CCC(CC1)OC1=C(Br)C=CC(F)=C1,"InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)",UJEAABFSXKCSGI-UHFFFAOYSA-N
DB13025,51012-32-9,Tiapride,investigational,"['2958291', '7201401', '10721880', '11520476']",N05AL03,D08590,10588,,,2651,ZINC000001542927,CHEMBL84158,82073,TIAPRIDE,94666,5467,CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O,"InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)",JTVPZMFULRWINT-UHFFFAOYSA-N
DB13026,16773-42-5,Ornidazole,investigational,,"['J01RA09', 'J01RA12', 'P01AB03', 'G01AF06', 'J01XD03', 'J01RA05']",,7701,,,1997,,CHEMBL1449676,50247904,RO-70207,75176,28061,CC1=NC=C(N1CC(O)CCl)N(=O)=O,"InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3",IPWKIXLWTCNBKN-UHFFFAOYSA-N
DB13027,84290-27-7,Tucaresol,investigational,,,,,,,,ZINC000000010202,CHEMBL2104482,,TUCARESOL,,55223,OC(=O)C1=CC=C(COC2=CC=CC(O)=C2C=O)C=C1,"InChI=1S/C15H12O5/c16-8-12-13(17)2-1-3-14(12)20-9-10-4-6-11(7-5-10)15(18)19/h1-8,17H,9H2,(H,18,19)",XEDONBRPTABQFB-UHFFFAOYSA-N
DB13028,120410-24-4,Biapenem,investigational,,J01DH05,,,,,365,,CHEMBL285347,,L-627,3089,71339,[H][C@](C)(O)[C@@]1([H])C(=O)N2C(C([O-])=O)=C(SC3CN4C=NC=[N+]4C3)[C@]([H])(C)[C@]12[H],"InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1",MRMBZHPJVKCOMA-YJFSRANCSA-N
DB13029,500355-52-2,MK-0873,investigational,,,,,,,,ZINC000034027294,CHEMBL485629,50274267,MK0873,,9919680,[O-][N+]1=CC(=CC=C1)C#CC1=CC(=CC=C1)N1C=C(C(=O)NC2CC2)C(=O)C2=CC=CN=C12,"InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)",JJWKQXNHYDJXKF-UHFFFAOYSA-N
DB13030,69123-94-0,2'-fluoro-5-ethylarabinosyluracil,investigational,,,,,,,,ZINC000017174165,CHEMBL3228489,,,,3007908,OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1C=CC(=O)NC1=O,"InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6+,7-,8-/m1/s1",UIYWFOZZIZEEKJ-PXBUCIJWSA-N
DB13031,7440-03-1,Niobium,investigational,,,,1426867,,,,,,,,33344,23936,[Nb],InChI=1S/Nb,GUCVJGMIXFAOAE-UHFFFAOYSA-N
DB13032,259525-01-4,Enecadin,investigational,,,,,,,,,CHEMBL29404,50095759,ENECADIN,,6433114,CC1=NC(=CC(OCCCCCN2CCCCC2)=N1)C1=CC=C(F)C=C1,"InChI=1S/C21H28FN3O/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15H2,1H3",SZSHJTJCJOWMHM-UHFFFAOYSA-N
DB13033,351999-18-3,Urocortin-2,investigational,,,,,,,,,,,,,,,,
DB13034,881188-51-8,Foxy-5,investigational,,,,,,,,ZINC000068077856,CHEMBL4297281,,FOXY-5,125492,44628955,CSCC[C@H](NC=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O,"InChI=1S/C26H42N6O12S2/c1-13(2)8-17(26(43)44)32-24(41)15(4-5-20(35)36)30-25(42)18(11-45)29-19(34)10-27-22(39)16(9-21(37)38)31-23(40)14(28-12-33)6-7-46-3/h12-18,45H,4-11H2,1-3H3,(H,27,39)(H,28,33)(H,29,34)(H,30,42)(H,31,40)(H,32,41)(H,35,36)(H,37,38)(H,43,44)/t14-,15-,16-,17-,18-/m0/s1",WFZPJYYCTSHDJI-ATIWLJMLSA-N
DB13035,837364-57-5,AG-24322,investigational,,,,,,,,ZINC000006718881,CHEMBL4589128,50511932,,,135413565,CCNCC1=CN=CC(=C1C)C1=CC=C2NN=C(C3=NC4=C(F)C=C(F)C=C4N3)C2=C1,"InChI=1S/C23H20F2N6/c1-3-26-9-14-10-27-11-17(12(14)2)13-4-5-19-16(6-13)21(31-30-19)23-28-20-8-15(24)7-18(25)22(20)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31)",MEKASOQEXYKAKM-UHFFFAOYSA-N
DB13036,116649-85-5,Ramatroban,investigational,,,,,,A8X,2354,ZINC000003798772,CHEMBL361812,50161746,BAY-U-3405,32087,123879,[H][C@]1(CCC2=C(C1)C1=CC=CC=C1N2CCC(O)=O)NS(=O)(=O)C1=CC=C(F)C=C1,"InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1",LDXDSHIEDAPSSA-OAHLLOKOSA-N
DB13037,1206681-39-1,Namilumab,investigational,,,,,,,,,,,,,,,,
DB13038,122-32-7,Glyceryl Trioleate,investigational,,,,1368168,,,,ZINC000085545180,CHEMBL4297656,,GLYCERYL TRIOLEATE,53753,5497163,CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-",PHYFQTYBJUILEZ-IUPFWZBJSA-N
DB13039,14748-94-8,Aminaphthone,investigational,,,,46276,,,159,ZINC000005419379,,,,135317,84621,CC1=C(OC(=O)C2=CC=C(N)C=C2)C(O)=C2C=CC=CC2=C1O,"InChI=1S/C18H15NO4/c1-10-15(20)13-4-2-3-5-14(13)16(21)17(10)23-18(22)11-6-8-12(19)9-7-11/h2-9,20-21H,19H2,1H3",YLMPBJUYFTWHKJ-UHFFFAOYSA-N
DB13040,1229236-86-5,Gandotinib,investigational,,,,,,,,ZINC000068245097,CHEMBL2107823,,LY2784544,188757,46213929,CC1=CC(NC2=NN3C(CC4=CC=C(Cl)C=C4F)=C(C)N=C3C(CN3CCOCC3)=C2)=NN1,"InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)",SQSZANZGUXWJEA-UHFFFAOYSA-N
DB13041,1415119-52-6,Odalasvir,investigational,,,,,,,,,CHEMBL3544977,,ACH-0143102,,71474517,COC(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C1=NC2=CC=C(C=C2N1)C1=CC2=CC=C1CCC1=CC=C(CC2)C(=C1)C1=CC=C2N=C(NC2=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)OC)C(C)C,"InChI=1S/C60H72N8O6/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1",LSYBRGMTRKJATA-IVEWBXRVSA-N
DB13042,37561-27-6,Fenoverine,investigational,,A03AX05,,24855,,,1156,ZINC000019899628,CHEMBL1512949,,FENOVERINE,135744,72098,O=C(CN1CCN(CC2=CC3=C(OCO3)C=C2)CC1)N1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2",UBAJTZKNDCEGKL-UHFFFAOYSA-N
DB13044,303-45-7,Gossypol,investigational,,,,,,,1328,ZINC000003775575,CHEMBL51483,46555,GOSSYPOL,,3503,CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=O)C(O)=C1O)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C,"InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3",QBKSWRVVCFFDOT-UHFFFAOYSA-N
DB13045,946832-34-4,Racotumomab,investigational,,,,,,,,,,,,,,,,
DB13046,41941-56-4,Tocladesine,investigational,,,,,,,,ZINC000004214493,CHEMBL2107085,,TOCLADESINE,,100299,NC1=C2N=C(Cl)N([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1,"InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1",CLLFEJLEDNXZNR-UUOKFMHZSA-N
DB13047,22537-51-5,Pentavalent Antimony,investigational,,,,1546283,,,,,,,,,73608879,[Sb+5],InChI=1S/Sb/q+5,ZDINGUUTWDGGFF-UHFFFAOYSA-N
DB13048,315183-21-2,PAC-1,investigational,,,,,,,,ZINC000022916765,CHEMBL591429,36363,PAC-1,,9675990,OC1=C(\C=N\NC(=O)CN2CCN(CC3=CC=CC=C3)CC2)C=CC=C1CC=C,"InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+",YQNRVGJCPCNMKT-LFVJCYFKSA-N
DB13049,135558-11-1,Lobaplatin,investigational,,,,,,,,,,,,194425,10000860,[Pt++].C[C@H]([O-])C([O-])=O.NC[C@@H]1CC[C@H]1CN,"InChI=1S/C6H14N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);/q;-1;+2/p-1/t5-,6-;2-;/m00./s1",RLXPIABKJFUYFG-DOYDWZMXSA-M
DB13050,110101-66-1,Tirilazad,investigational,,N07XX01,,72467,,,4063,ZINC000043133316,CHEMBL1630578,,U-74006F,135853,104903,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(CC1)C1=CC(=NC(=N1)N1CCCC1)N1CCCC1,"InChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/t26-,29-,31+,35-,37+,38+/m1/s1",RBKASMJPSJDQKY-RBFSKHHSSA-N
DB13051,1007207-67-1,CH-5132799,investigational,,,,,,MMD,,ZINC000066074200,CHEMBL1684984,50338197,CH5132799,,49784945,CS(=O)(=O)N1CCC2=C(N=C(N=C12)N1CCOCC1)C1=CN=C(N)N=C1,"InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)",JEGHXKRHKHPBJD-UHFFFAOYSA-N
DB13052,1191101-18-4,Upamostat,investigational,,,,,,,,,CHEMBL4206119,50459074,WX-671,,9852201,CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(\N)=N/O)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C,"InChI=1S/C32H47N5O6S/c1-8-43-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34-40)35-44(41,42)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35,40H,8,12-15,17H2,1-7H3,(H2,33,34)/t28-/m0/s1",HUASEDVYRABWCV-NDEPHWFRSA-N
DB13053,204981-48-6,CP-195543,investigational,,,,,,,,,CHEMBL301829,50215854,"CP-195,543",,9823886,O[C@@H]1[C@@H](CC2=CC=CC=C2)COC2=CC(=CC=C12)C1=CC(=CC=C1C(O)=O)C(F)(F)F,"InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1",NZQDWKCNBOELAI-KSFYIVLOSA-N
DB13054,1839508-99-4,ACT-451840,investigational,,,,,,,,,,,,,53303762,CC(=O)N1CCN(CC1)C1=CC=C(CN([C@@H](CC2=CC=CC=C2)C(=O)N2CCN(CC3=CC=C(C=C3)C#N)CC2)C(=O)\C=C\C2=CC=C(C=C2)C(C)(C)C)C=C1,"InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1",BQZUYCCCNXOADJ-TVNMEPFQSA-N
DB13055,1340593-59-0,Oteseconazole,investigational,,,,,,VT1,,ZINC000167574450,CHEMBL3311228,50046187,VT-1161,188153,77050711,O[C@@](CN1C=NN=N1)(C1=CC=C(F)C=C1F)C(F)(F)C1=CC=C(C=N1)C1=CC=C(OCC(F)(F)F)C=C1,"InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1",IDUYJRXRDSPPRC-NRFANRHFSA-N
DB13056,57381-26-7,Irsogladine,investigational,,,,,,,1484,ZINC000000002645,CHEMBL136497,69900,IRSOGLADINE MALEATE,93307,3752,NC1=NC(=NC(N)=N1)C1=C(Cl)C=CC(Cl)=C1,"InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)",ATCGGEJZONJOCL-UHFFFAOYSA-N
DB13057,204658-47-9,Torapsel,investigational,,,,,,,,,,,,,,,,
DB13058,558-25-8,Methanesulfonyl Fluoride,investigational,,,,,,,,ZINC000095735985,CHEMBL4297433,,SNX-001,,11207,CS(F)(=O)=O,"InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3",KNWQLFOXPQZGPX-UHFFFAOYSA-N
DB13059,942487-16-3,PF-03814735,investigational,,,,,,34W,,ZINC000043196229,CHEMBL4289017,50466804,,,51346455,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C1=C2C=CC(NC2=NC=C(C(NC3CCC3)=N2)C(F)(F)F)=C1,"InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1",RYYNGWLOYLRZLK-RBUKOAKNSA-N
DB13060,1391712-60-9,CEP-37440,investigational,,,,,,,,ZINC000146905479,CHEMBL3951811,50193811,,,71721648,CNC(=O)C1=CC=CC=C1NC1=C(Cl)C=NC(NC2=CC=C3C[C@H](CCCC3=C2OC)N2CCN(CCO)CC2)=N1,"InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1",BCSHRERPHLTPEE-NRFANRHFSA-N
DB13061,869363-13-3,MLN8054,investigational,17360485,,,,,ZZL,,ZINC000018825334,CHEMBL259084,31832,MLN 8054,91366,11712649,OC(=O)C1=CC=C(NC2=NC=C3CN=C(C4=C(C=CC(Cl)=C4)C3=N2)C2=C(F)C=CC=C2F)C=C1,"InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)",HHFBDROWDBDFBR-UHFFFAOYSA-N
DB13062,1374524-68-1,ME-344,investigational,,,,,,,,,,,,,68026984,CC1=C(O)C=CC2=C1OC[C@H]([C@H]2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1",QVCAATSEPLQVBX-FPOVZHCZSA-N
DB13063,20554-84-1,Parthenolide,"['approved', 'investigational']",,,,32941,,,,ZINC000030726283,CHEMBL540445,50433441,PARTHENOLIDE,181553,6473881,C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1",KTEXNACQROZXEV-SLXBATTESA-N
DB13064,1082-57-1,Tramazoline,investigational,,R01AA09,,38453,,,3620,ZINC000001534528,CHEMBL32573,50027056,TRAMAZOLINE,134893,5524,C1CN=C(NC2=CC=CC3=C2CCCC3)N1,"InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)",QQJLHRRUATVHED-UHFFFAOYSA-N
DB13065,1194044-20-6,LY-2811376,investigational,,,,,,4B2,,ZINC000052509444,CHEMBL2333941,50012632,LY2811376,,44251605,C[C@]1(CCSC(N)=N1)C1=CC(=C(F)C=C1F)C1=CN=CN=C1,"InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1",MJQMRGWYPNIERM-HNNXBMFYSA-N
DB13066,115575-11-6,Liarozole,investigational,,,,,,,,,CHEMBL389433,50157605,R 85246,135316,60652,ClC1=CC=CC(=C1)C(N1C=CN=C1)C1=CC=C2N=CNC2=C1,"InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)",UGFHIPBXIWJXNA-UHFFFAOYSA-N
DB13067,355151-12-1,Rotigaptide,investigational,,,,,,,,ZINC000014175498,CHEMBL450656,,ROTIGAPTIDE,,9938933,C[C@@H](NC(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)[C@@H](CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NCC(N)=O,"InChI=1S/C28H39N7O9/c1-15(25(41)30-12-23(29)39)32-24(40)13-31-26(42)22-11-19(38)14-35(22)28(44)21-4-3-9-34(21)27(43)20(33-16(2)36)10-17-5-7-18(37)8-6-17/h5-8,15,19-22,37-38H,3-4,9-14H2,1-2H3,(H2,29,39)(H,30,41)(H,31,42)(H,32,40)(H,33,36)/t15-,19+,20-,21-,22-/m1/s1",GFJRASPBQLDRRY-TWTQBQJDSA-N
DB13068,143205-42-9,9-(N-methyl-L-isoleucine)-cyclosporin A,investigational,,,,,,,,,CHEMBL1688529,50339126,NIM811,,6473876,CC[C@H](C)[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C,"InChI=1S/C62H111N11O12/c1-25-28-29-40(15)52(75)51-56(79)65-43(27-3)58(81)67(18)33-47(74)71(22)50(39(14)26-2)55(78)66-48(37(10)11)61(84)68(19)44(30-34(4)5)54(77)63-41(16)53(76)64-42(17)57(80)69(20)45(31-35(6)7)59(82)70(21)46(32-36(8)9)60(83)72(23)49(38(12)13)62(85)73(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t39-,40+,41-,42+,43-,44-,45-,46-,48-,49-,50-,51-,52+/m0/s1",RPJPZDVUUKWPGT-FOIHOXPVSA-N
DB13069,42471-28-3,Nimustine,investigational,,L01AD06,,,,,3384,ZINC000003979156,CHEMBL136737,,NIMUSTINE,75270,39214,CC1=NC=C(CNC(=O)N(CCCl)N=O)C(N)=N1,"InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)",VFEDRRNHLBGPNN-UHFFFAOYSA-N
DB13070,288104-79-0,Surinabant,investigational,,,,,,,,ZINC000001549068,CHEMBL189676,50171290,SR-147778,125484,9849616,CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1,"InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)",HMXDWDSNPRNUKI-UHFFFAOYSA-N
DB13071,6903-79-3,Creatinolfosfate,investigational,,C01EB05,,,,,739,ZINC000002029729,CHEMBL2104114,,,134856,23342,CN(CCOP(O)(O)=O)C(N)=N,"InChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)",FOIPWTMKYXWFGC-UHFFFAOYSA-N
DB13072,1207360-89-1,GDC-0349,investigational,,,,,,,,ZINC000095587536,CHEMBL2331680,50428123,,,59239165,CCNC(=O)NC1=CC=C(C=C1)C1=NC2=C(CCN(C2)C2COC2)C(=N1)N1CCOC[C@@H]1C,"InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1",RGJOJUGRHPQXGF-INIZCTEOSA-N
DB13073,1207446-68-1,Tregalizumab,investigational,,,,,,,,,,,,,,,,
DB13074,381231-18-1,Macimorelin,"['approved', 'investigational']","['12240910', '25070016', '23559086', '12646029', '17284637']",V04CD06,D10563,1999420,,,5271,ZINC000001554197,CHEMBL278623,50125886,ARD 07,,9804938,CC(C)(N)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)NC=O,"InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1",UJVDJAPJQWZRFR-DHIUTWEWSA-N
DB13075,2124-57-4,Menaquinone 7,investigational,,,,2001758,,MQ7,,ZINC000058638423,CHEMBL1230575,,MENAQUINONE-7,44245,5287554,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C,"InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+",RAKQPZMEYJZGPI-LJWNYQGCSA-N
DB13076,10098-91-6,Yttrium Y-90,"['approved', 'investigational']",,V10AA01,,,,,,,,,,,104760,[90Y],InChI=1S/Y/i1+1,VWQVUPCCIRVNHF-OUBTZVSYSA-N
DB13077,1219707-39-7,LCB01-0371,investigational,,,,,,,,,CHEMBL1673408,,DELPAZOLID,,44205191,CN1CCN(C=N1)C1=CC=C(C=C1F)N1C[C@H](CO)OC1=O,"InChI=1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1",QLUWQAFDTNAYPN-LLVKDONJSA-N
DB13078,693272-98-9,KOSN-1724,investigational,,,,,,,,,CHEMBL4297393,,,,71587784,C[C@H]1\C=C/C\C(C)=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C1=NOC(C)=C1,"InChI=1S/C27H39NO6/c1-16-9-8-10-17(2)25(31)20(5)26(32)27(6,7)23(29)15-24(30)33-22(12-11-16)18(3)13-21-14-19(4)34-28-21/h8,10-11,13-14,17,20,22-23,25,29,31H,9,12,15H2,1-7H3/b10-8-,16-11-,18-13+/t17-,20+,22-,23-,25-/m0/s1",JAYGOFBXDFAXBW-CYEKYUJNSA-N
DB13080,359625-79-9,Roluperidone,investigational,,,,,,YT7,,,CHEMBL4297605,,MIN-101,,9799284,FC1=CC=C(C=C1)C(=O)CN1CCC(CN2CC3=CC=CC=C3C2=O)CC1,"InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2",RNRYULFRLCBRQS-UHFFFAOYSA-N
DB13082,77191-36-7,Nefiracetam,investigational,,,,,,,3376,ZINC000000003788,CHEMBL260829,,NEFIRACETAM,135004,71157,CC1=CC=CC(C)=C1NC(=O)CN1CCCC1=O,"InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)",NGHTXZCKLWZPGK-UHFFFAOYSA-N
DB13083,201410-53-9,Talarozole,investigational,"['17714122', '10734183']",,,,,,,,CHEMBL459505,50253810,RAMBAZOLE,102167,9799888,CCC(CC)C(N1C=NC=N1)C1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1,"InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)",SNFYYXUGUBUECJ-UHFFFAOYSA-N
DB13084,1098-97-1,Pyritinol,investigational,,N06BX02,,9020,,,2333,ZINC000037866091,CHEMBL488093,,PYRITINOL,135554,14190,CC1=C(O)C(CO)=C(CSSCC2=C(CO)C(O)=C(C)N=C2)C=N1,"InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3",SIXLXDIJGIWWFU-UHFFFAOYSA-N
DB13085,141204-94-6,Lumefantrine co-artemether,"['approved', 'investigational']",,,,,,,,,,,,,,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC)[C@@H]2C)O4.CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1.CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1.CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1.CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1.CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1.CCCCN(CCCC)CC(O)C1=CC(Cl)=CC2=C1C1=CC=C(Cl)C=C1\C2=C\C1=CC=C(Cl)C=C1,"InChI=1S/6C30H32Cl3NO.C16H26O5/c6*1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28;1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h6*7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3;9-14H,5-8H2,1-4H3/b6*25-15-;/t;;;;;;9-,10-,11+,12+,13+,14-,15-,16-/m......1/s1",VZQXHIJHMCHBNW-UFIXNTOBSA-N
DB13086,1266084-51-8,SCYX-7158,investigational,,,,,,,,ZINC000198072921,CHEMBL2347704,,ACOZIBOROLE,183111,44178354,CC1(C)OB(O)C2=CC(NC(=O)C3=CC=C(F)C=C3C(F)(F)F)=CC=C12,"InChI=1S/C17H14BF4NO3/c1-16(2)12-6-4-10(8-14(12)18(25)26-16)23-15(24)11-5-3-9(19)7-13(11)17(20,21)22/h3-8,25H,1-2H3,(H,23,24)",PTYGDEXEGLDNAZ-UHFFFAOYSA-N
DB13087,224624-80-0,Miridesap,investigational,,,,,,GHE,,ZINC000003972138,CHEMBL25263,,GSK2315698,,125516,OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(O)=O,"InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1",HZLAWYIBLZNRFZ-VXGBXAGGSA-N
DB13088,692054-06-1,AZD-0424,investigational,,,,,,,,,,,,,9893171,CC(C)OC1=C2C(NC3=C(Cl)C=NC4=C3OCO4)=NC=NC2=CC(OCCN2CCN(CC2)C(C)=O)=C1,"InChI=1S/C25H29ClN6O5/c1-15(2)37-20-11-17(34-9-8-31-4-6-32(7-5-31)16(3)33)10-19-21(20)24(29-13-28-19)30-22-18(26)12-27-25-23(22)35-14-36-25/h10-13,15H,4-9,14H2,1-3H3,(H,27,28,29,30)",MVWATCATLSSVBH-UHFFFAOYSA-N
DB13089,471-53-4,Enoxolone,investigational,,D03AX10,,1311506,,CBW,3178,ZINC000019203131,CHEMBL230006,50233538,ENOXOLONE,30853,10114,[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1",MPDGHEJMBKOTSU-YKLVYJNSSA-N
DB13090,1436861-97-0,Zidebactam,investigational,,,,,,,,,CHEMBL4533605,,WCK-5107,,77846445,OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O,"InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1",YCZPXRQPDCXTIO-BBBLOLIVSA-N
DB13091,55837-29-1,Tiropramide,investigational,,A03AC05,,38315,,,2681,,CHEMBL2104688,,TIROPRAMIDE,135758,42262,CCCN(CCC)C(=O)C(CC1=CC=C(OCCN(CC)CC)C=C1)NC(=O)C1=CC=CC=C1,"InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)",FDBWMYOFXWMGEY-UHFFFAOYSA-N
DB13092,2013-58-3,Meclocycline,investigational,"['11381101', '16816396']",D10AF04,,29418,,,3333,ZINC000084402690,CHEMBL1237124,,GS-2989,135772,,[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4Cl)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,"InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)/t10-,14-,15+,17+,22+/m1/s1",GGQJXCQBBONZFX-IWVLMIASSA-N
DB13093,1005780-62-0,TAK-593,investigational,,,,,,,,ZINC000095579919,CHEMBL2180604,50399537,TAK 593,,24767976,CN1N=C(C)C=C1C(=O)NC1=CC(OC2=NN3C=C(NC(=O)C4CC4)N=C3C=C2)=CC=C1C,"InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)",DZFZXPPHBWCXPQ-UHFFFAOYSA-N
DB13094,443144-26-1,Pruvanserin,investigational,,,,,,,,ZINC000056898757,CHEMBL1215661,50324540,LY2422347,177485,6433122,FC1=CC=C(CCN2CCN(CC2)C(=O)C2=C3NC=C(C#N)C3=CC=C2)C=C1,"InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2",AQRLDDAFYYAIJP-UHFFFAOYSA-N
DB13095,954389-09-4,JTK-853,investigational,,,,,,JT1,,ZINC000098209057,CHEMBL4297295,,JTK-853,,57519700,FC1=C(OC(F)(F)F)C=CC(CNC(=O)[C@H]2CN(CCN2S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C2=NC3=C(S2)C=NC(=N3)C2CC2)=C1,"InChI=1S/C28H23F7N6O4S2/c29-19-11-15(1-8-21(19)45-28(33,34)35)12-37-25(42)20-14-40(26-39-24-22(46-26)13-36-23(38-24)16-2-3-16)9-10-41(20)47(43,44)18-6-4-17(5-7-18)27(30,31)32/h1,4-8,11,13,16,20H,2-3,9-10,12,14H2,(H,37,42)/t20-/m1/s1",JQLOVYLALGSISI-HXUWFJFHSA-N
DB13096,68134-81-6,Gacyclidine,investigational,,,,,,,,ZINC000004213419,,,,,176265,C[C@H]1CCCC[C@]1(N1CCCCC1)C1=CC=CS1,"InChI=1S/C16H25NS/c1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h7,9,13-14H,2-6,8,10-12H2,1H3/t14-,16+/m0/s1",DKFAAPPUYWQKKF-GOEBONIOSA-N
DB13097,187935-17-7,1alpha-Hydroxyvitamin D5,investigational,,,,,,,,,CHEMBL4297361,,CARD-024,,10025615,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C(C)C,"InChI=1S/C29H48O2/c1-7-22(19(2)3)11-10-20(4)26-14-15-27-23(9-8-16-29(26,27)6)12-13-24-17-25(30)18-28(31)21(24)5/h12-13,19-20,22,25-28,30-31H,5,7-11,14-18H2,1-4,6H3/b23-12+,24-13-/t20-,22-,25-,26-,27+,28+,29-/m1/s1",NWFOBODUYTUMNC-VPSCEVSQSA-N
DB13098,166981-13-1,CT-2584,investigational,,,,,,,,,CHEMBL4297274,,CT-2584,,3081346,CCCCCCCCCCCCNCC(O)CCCCCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,"InChI=1S/C30H55N5O3/c1-4-5-6-7-8-9-10-13-16-19-22-31-24-26(36)21-18-15-12-11-14-17-20-23-35-29(37)27-28(32-25-33(27)2)34(3)30(35)38/h25-26,31,36H,4-24H2,1-3H3",MZNMZWZGUGFQJP-UHFFFAOYSA-N
DB13099,4171-13-5,Valnoctamide,investigational,,N05CM13,,,,,2802,,CHEMBL1075733,,VALNOCTAMIDE,134767,20140,CCC(C)C(CC)C(N)=O,"InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)",QRCJOCOSPZMDJY-UHFFFAOYSA-N
DB13100,56-03-1,Biguanide,"['approved', 'investigational']",,,,1918319,,,,ZINC000004097424,CHEMBL4297654,,BIGUANIDE,3095,5939,NC(=N)NC(N)=N,"InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)",XNCOSPRUTUOJCJ-UHFFFAOYSA-N
DB13101,910462-43-0,4SC-202,investigational,,,,,,,,ZINC000034851244,CHEMBL4283683,50470579,DOMATINOSTAT,,15985904,CN1C=C(C=N1)C1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NC2=CC=CC=C2N)=C1,"InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+",PRXXYMVLYKJITB-IZZDOVSWSA-N
DB13102,1198309-73-7,AZD-8418,investigational,,,,,,,,,CHEMBL4297355,,AZD8418,,44556193,C[C@@H](C1CC1)N1CC2=CC(=CC(Cl)=C2C1=O)C1=CC(=NO1)C(=O)N(C)C,"InChI=1S/C19H20ClN3O3/c1-10(11-4-5-11)23-9-13-6-12(7-14(20)17(13)19(23)25)16-8-15(21-26-16)18(24)22(2)3/h6-8,10-11H,4-5,9H2,1-3H3/t10-/m0/s1",MCPBSUCAISQZQK-JTQLQIEISA-N
DB13103,236095-29-7,GPX-150,investigational,,,,,,,,,,,,,135546259,COC1=C2C(=N)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(=O)CO)C(O)=C3C(=O)C2=CC=C1,"InChI=1S/C27H30N2O10/c1-10-23(32)13(28)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)20-21(25(12)34)24(33)11-4-3-5-14(37-2)18(11)22(20)29/h3-5,10,13,15,17,23,29-30,32,34-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,23+,27-/m0/s1",UNNWAMSRSUVXCZ-PNISCQLKSA-N
DB13104,1365267-27-1,X-396,investigational,,,,,,,,ZINC000096258164,CHEMBL2376648,50432894,,,56960447,C[C@@H](OC1=CC(=NN=C1N)C(=O)NC1=CC=C(C=C1)C(=O)N1CCN(C)CC1)C1=C(Cl)C=CC(F)=C1Cl,"InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1",ONPGOSVDVDPBCY-CQSZACIVSA-N
DB13105,552830-51-0,Resolvin E1,investigational,,,,,,,,ZINC000056875015,CHEMBL1742483,,RX-10001,81559,10473088,CC[C@@H](O)\C=C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,"InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1",AOPOCGPBAIARAV-OTBJXLELSA-N
DB13106,131262-82-3,Glycovir,investigational,,,,,,,,,CHEMBL4297283,,GLYCOVIR,,60807,CCCCN1C[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1COC(=O)CCC,"InChI=1S/C26H45NO8/c1-6-11-16-27-17-20(33-22(29)13-8-3)26(35-24(31)15-10-5)25(34-23(30)14-9-4)19(27)18-32-21(28)12-7-2/h19-20,25-26H,6-18H2,1-5H3/t19-,20+,25-,26-/m1/s1",MKGDNVHZSCXBKR-KYVQNOJUSA-N
DB13107,648927-86-0,QGC-001,investigational,,,,,,,,,CHEMBL4297511,,QGC001,,24851355,N[C@@H](CCS(O)(=O)=O)CSSC[C@@H](N)CCS(O)(=O)=O,"InChI=1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1",HJPXZXVKLGEMGP-YUMQZZPRSA-N
DB13108,1189805-46-6,Mephedrone,investigational,,,,,,,,,CHEMBL4094396,50236718,MEPHEDRONE,59331,45266826,CNC(C)C(=O)C1=CC=C(C)C=C1,"InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",YELGFTGWJGBAQU-UHFFFAOYSA-N
DB13109,1197160-28-3,PKI-179,investigational,,,,,,,,ZINC000064548968,,,,,76958312,O=C(NC1=CC=NC=C1)NC1=CC=C(C=C1)C1=NC(=NC(=N1)N1[C@H]2CC[C@@H]1COC2)N1CCOCC1,"InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)/t20-,21+",WXUUCRLKXQMWRY-OYRHEFFESA-N
DB13110,7440-36-0,Antimony,investigational,,,,1311407,,,,,,,,30513,5354495,[Sb],InChI=1S/Sb,WATWJIUSRGPENY-UHFFFAOYSA-N
DB13111,950-99-2,Chromanol,investigational,,,,,,,,ZINC000000056973,CHEMBL37676,,APC-100,,99479,CC1=C(O)C(C)=C2CCC(C)(C)OC2=C1C,"InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3",SEBPXHSZHLFWRL-UHFFFAOYSA-N
DB13112,1092457-65-2,Dolcanatide,investigational,,,,,,,,,,,,,,,,
DB13113,943540-75-8,JNJ-38877605,investigational,,,,,,,,ZINC000043170515,CHEMBL2133806,163243,JNJ-38877605,91417,46911863,CN1C=C(C=N1)C1=NN2C(C=C1)=NN=C2C(F)(F)C1=CC=C2N=CC=CC2=C1,"InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3",JRWCBEOAFGHNNU-UHFFFAOYSA-N
DB13114,4317-14-0,Amitriptylinoxide,"['approved', 'investigational']",,,,,,,181,ZINC000001481969,CHEMBL627,112778,EQUILIBRIN,135224,20313,CN(C)(=O)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",ZPMKQFOGINQDAM-UHFFFAOYSA-N
DB13115,495399-09-2,Saroglitazar,investigational,,,,,,EWR,5047,,CHEMBL4297530,,SAROGLITAZAR,134708,60151560,CCO[C@@H](CC1=CC=C(OCCN2C(C)=CC=C2C2=CC=C(SC)C=C2)C=C1)C(O)=O,"InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1",MRWFZSLZNUJVQW-DEOSSOPVSA-N
DB13116,811-97-2,Norflurane,"['experimental', 'approved']",,,D05208,1311560,,,,ZINC000008214630,CHEMBL2104432,,HFA 134A,,13129,FCC(F)(F)F,"InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2",LVGUZGTVOIAKKC-UHFFFAOYSA-N
DB13117,460-73-1,Pentafluoropropane,"['approved', 'investigational']",,,,1591891,,,,ZINC000001847395,,,,,68030,FC(F)CC(F)(F)F,"InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2",MSSNHSVIGIHOJA-UHFFFAOYSA-N
DB13118,248282-01-1,Paquinimod,investigational,,,,,,,,,CHEMBL67776,,ABR-215757,,54684617,CCN(C(=O)C1=C(O)C2=C(CC)C=CC=C2N(C)C1=O)C1=CC=CC=C1,"InChI=1S/C21H22N2O3/c1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15/h6-13,24H,4-5H2,1-3H3",DIKSYHCCYVYKRO-UHFFFAOYSA-N
DB13119,863434-13-3,GSK-364735,investigational,,,,,,,,ZINC000102403694,CHEMBL1256978,50045107,GSK-364735,,54718859,CN1C(=O)C(C(=O)NCCO)=C(O)C2=NC=C(CC3=CC=C(F)C=C3)C=C12,"InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)",QWLNINWUBHHOLU-UHFFFAOYSA-N
DB13120,945635-15-4,Deferitazole,investigational,,,,,,,,ZINC000028701754,CHEMBL487465,,SPD602,,135565672,COCCOCCOCCOC1=C(O)C(=CC=C1)C1=N[C@](C)(CS1)C(O)=O,"InChI=1S/C18H25NO7S/c1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2/h3-5,20H,6-12H2,1-2H3,(H,21,22)/t18-/m1/s1",AWHIMFSHNAAMBM-GOSISDBHSA-N
DB13121,439685-79-7,Hydroxypropyl tetrahydropyrantriol,investigational,,,,1747475,,,,,CHEMBL479843,,,,16666733,CC(O)C[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C8H16O5/c1-4(9)2-6-8(12)7(11)5(10)3-13-6/h4-12H,2-3H2,1H3/t4?,5-,6+,7+,8+/m1/s1",KOGFZZYPPGQZFZ-QVAPDBTGSA-N
DB13122,871108-05-3,Trabodenoson,investigational,,,,,,,,ZINC000035931662,CHEMBL3545407,97464,TRABODENOSON,,11610599,O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)N1C=NC2=C(NC3CCCC3)N=CN=C12,"InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1",AQLVRTWKJDTWQQ-SDBHATRESA-N
DB13123,286936-40-1,OTX-008,investigational,,,,,,,,ZINC000150564784,CHEMBL221186,50420903,OTX-008,,11953346,CN(C)CCNC(=O)COC1=C2CC3=CC=CC(CC4=CC=CC(CC5=C(OCC(=O)NCCN(C)C)C(CC1=CC=C2)=CC=C5)=C4OCC(=O)NCCN(C)C)=C3OCC(=O)NCCN(C)C,"InChI=1S/C52H72N8O8/c1-57(2)25-21-53-45(61)33-65-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)67-35-47(63)55-23-27-59(5)6)32-44-20-12-19-43(52(44)68-36-48(64)56-24-28-60(7)8)31-41-17-10-15-39(29-37)50(41)66-34-46(62)54-22-26-58(3)4/h9-20H,21-36H2,1-8H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)",CQVAQQNDZCZBSU-UHFFFAOYSA-N
DB13124,7085-55-4,Troxerutin,investigational,,"['C05CA54', 'C05CA04']",,38893,,,2778,ZINC000085552699,CHEMBL3182320,,TROXERUTIN,,5486699,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC(OCCO)=C(OCCO)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1",IYVFNTXFRYQLRP-VVSTWUKXSA-N
DB13125,1110766-97-6,Lusutrombopag,"['approved', 'investigational']","['23821332', '28943563', '26666417', '29274361', '16322779', '16480521', '28324272']",B02BX07,,2054984,,,5059,ZINC000084759273,CHEMBL2107831,430660,MULPLETA,136051,49843517,CCCCCCO[C@@H](C)C1=C(OC)C(=CC=C1)C1=CSC(NC(=O)C2=CC(Cl)=C(\C=C(/C)C(O)=O)C(Cl)=C2)=N1,"InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1",NOZIJMHMKORZBA-KJCUYJGMSA-N
DB13126,1584647-27-7,BMS-986115,investigational,,,,,,,,,CHEMBL3911164,209870,BMS-986115,,73388393,CC1=CC=CC2=C1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2C1=CC=CC(F)=C1,"InChI=1S/C26H25F7N4O3/c1-13-4-2-7-18-19(13)36-24(40)22(35-20(18)14-5-3-6-15(27)12-14)37-23(39)17(9-11-26(31,32)33)16(21(34)38)8-10-25(28,29)30/h2-7,12,16-17,22H,8-11H2,1H3,(H2,34,38)(H,36,40)(H,37,39)/t16-,17+,22+/m0/s1",SRJNRAQUSAVENA-GSHUGGBRSA-N
DB13127,1007223-17-7,Olokizumab,investigational,"['24670876', '27129012', '29725131', '33459118']",,,,,,,,,,,,,,,
DB13128,9050-67-3,Sizofiran,investigational,,,,,,,,,,,,,,,,
DB13129,74513-62-5,Trimegestone,investigational,,"['G03FA16', 'G03FB11']",,,,,4736,ZINC000004217604,CHEMBL2104765,,RU 27987,136027,68926,C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C,"InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1",JUNDJWOLDSCTFK-MTZCLOFQSA-N
DB13131,95077-02-4,Serrapeptase,investigational,,,,36434,,,,,,,,,,,,
DB13132,63968-64-9,Artemisinin,investigational,,P01BE01,,2367409,PA165111696,,3871,ZINC000008143788,CHEMBL269671,50088447,,223316,68827,[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C(=O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4,"InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1",BLUAFEHZUWYNDE-NNWCWBAJSA-N
DB13133,109319-16-6,Von Willebrand factor human,"['approved', 'investigational']","['26239086', '21220152', '25712991', '16449527', '21725579', '18263586', '19768705']","['B02BD10', 'B02BD06']",,826072,,,,,,,,,,,,
DB13134,13981-56-1,Fluorine F-18,investigational,,,,,,,,,,,,36939,131704324,[18F],InChI=1S/F/i1-1,YCKRFDGAMUMZLT-BJUDXGSMSA-N
DB13135,651729-53-2,AGN-201904,investigational,,,,,,,,,CHEMBL4297346,,AGN-201904,,9829253,COC1=CC2=C(C=C1)N(C(=N2)S(=O)CC1=NC=C(C)C(OC)=C1C)S(=O)(=O)C1=CC=C(OCC(O)=O)C=C1,"InChI=1S/C25H25N3O8S2/c1-15-12-26-21(16(2)24(15)35-4)14-37(31)25-27-20-11-18(34-3)7-10-22(20)28(25)38(32,33)19-8-5-17(6-9-19)36-13-23(29)30/h5-12H,13-14H2,1-4H3,(H,29,30)",PPCGSVWOZKNPCX-UHFFFAOYSA-N
DB13136,957-56-2,Fluindione,"['approved', 'investigational']",,B01AA12,,50097,,,1194,ZINC000100091724,CHEMBL24924,50280156,FLUINDIONE,134975,68942,FC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",NASXCEITKQITLD-UHFFFAOYSA-N
DB13137,960210-99-5,PM-060184,investigational,,,,,,3H4,,ZINC000098208444,CHEMBL4297636,,PM-060184,,57788271,COC1=CC[C@H](OC1=O)[C@@H](C)\C=C(/C)\C=C/C=C\C(=O)N[C@H](C(=O)N\C=C/C[C@H](C\C=C/C)OC(N)=O)C(C)(C)C,"InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1",IEKGSKLKBICCHQ-BDOJOPHNSA-N
DB13138,1239309-58-0,Neladenoson bialanate,investigational,,,,,,,,,,,,,56848985,C[C@H](N)C(=O)N[C@@H](C)C(=O)OCCOC1=CC=C(C=C1)C1=C(C#N)C(=NC(SCC2=CSC(=N2)C2=CC=C(Cl)C=C2)=C1C#N)N1CCCC1,"InChI=1S/C35H34ClN7O4S2/c1-21(39)32(44)40-22(2)35(45)47-16-15-46-27-11-7-23(8-12-27)30-28(17-37)31(43-13-3-4-14-43)42-34(29(30)18-38)49-20-26-19-48-33(41-26)24-5-9-25(36)10-6-24/h5-12,19,21-22H,3-4,13-16,20,39H2,1-2H3,(H,40,44)/t21-,22-/m0/s1",WESNEIGKOAXSGX-VXKWHMMOSA-N
DB13139,34391-04-3,Levosalbutamol,"['approved', 'investigational']",11236808,,D08124,237159,,68H,1575,ZINC000000007601,CHEMBL1002,50361247,LEVOSALBUTAMOL,8746,123600,CC(C)(C)NC[C@H](O)C1=CC(CO)=C(O)C=C1,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1",NDAUXUAQIAJITI-LBPRGKRZSA-N
DB13140,1246264-45-8,Bezlotoxumab,"['approved', 'investigational']","['24821719', '11999172', '25385797']",J06BB21,,1855048,,,,,,,,,,,,
DB13141,96989-76-3,Ambroxol acefyllinate,"['experimental', 'investigational']",,,,186010,,,,,CHEMBL4297663,,AMBROXOL THEOPHYLLINATE,,,CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O.NC1=C(Br)C=C(Br)C=C1CN[C@@H]1CC[C@H](O)CC1,"InChI=1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15)/t10-,11+;",IPUHJDQWESJTGD-NJJJQDLFSA-N
DB13142,97635-31-9,Calcium glubionate anhydrous,approved,,A12AA02,,,,,,,CHEMBL2219740,,CALCIUM GLUBIONATE,,64776,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1S/C12H22O12.C6H12O7.Ca/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;/m11./s1",YPCRNBPOUVJVMU-LCGAVOCYSA-L
DB13143,517-18-0,Methallenestril,experimental,,"['G03CB03', 'G03CC03']",,,,,1731,ZINC000000897074,,,,,59084697,CC[C@H](C1=CC=C2C=C(OC)C=CC2=C1)C(C)(C)C(O)=O,"InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)/t16-/m1/s1",KHLJKRBMZVNZOC-MRXNPFEDSA-N
DB13144,135968-09-1,Lenograstim,"['approved', 'investigational']",10776839,L03AA10,,70167,,,,,,,,,,,,
DB13145,95734-82-0,Nedaplatin,"['approved', 'investigational']","['2647312', '27417937', '20593091', '26886018', '12895194']",,D01416,,,,,,,,,31898,9796440,[H][N]([H])([H])[Pt]1(OCC(=O)O1)[N]([H])([H])[H],"InChI=1S/C2H3O3.2H3N.Pt/c3-1-2(4)5;;;/h1H2,(H,4,5);2*1H3;/q-1;;;+2/p-1",GYAVMUDJCHAASE-UHFFFAOYSA-M
DB13146,222727-39-1,Fluciclovine (18F),approved,"['23208700', '27825431', '24094575', '22007000', '17504867', '17204699']",V09IX12,,1796118,,,5153,ZINC000101525552,CHEMBL254468,,,134703,,N[C@]1(C[C@H]([18F])C1)C(O)=O,"InChI=1S/C5H8FNO2/c6-3-1-5(7,2-3)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5-/i6-1",NTEDWGYJNHZKQW-DGMDOPGDSA-N
DB13147,9001-62-1,Pancrelipase lipase,approved,"['990257', '3147715']",,,1427018,,,,,,,,,,,,
DB13148,,Coagulation factor X human,"['approved', 'investigational']","['19141158', '25535411', '11867437']",B02BD13,,4262,,,,,,,,,,,,
DB13149,,Protein S human,approved,"['8063724', '24835672', '12193728', '15118541']",,,34822,,,,,,,,,,,,
DB13150,,Coagulation factor VII human,"['approved', 'investigational']","['7354023', '26714677', '11198768']","['B02BD05', 'B02BD01']",,4254,,,,,,,,,,,,
DB13151,,Anti-inhibitor coagulant complex,"['approved', 'investigational']","['25535411', '15385040']",B02BD03,,314504,,,,,,,,,,,,
DB13152,181054-95-5,Coagulation Factor IX Human,approved,19361276,"['B02BD01', 'B02BD04']",,221099,,,,,,,,,,,,
DB13153,23089-26-1,Levomenol,"['experimental', 'approved']",,,,19461,,,4619,ZINC000001849759,CHEMBL1096927,50382730,LEVOMENOL,125,442343,[H][C@@]1(CCC(C)=CC1)[C@@](C)(O)CCC=C(C)C,"InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1",RGZSQWQPBWRIAQ-CABCVRRESA-N
DB13154,106-48-9,Parachlorophenol,approved,,,D00149,14982,,4CH,,ZINC000000001885,CHEMBL57053,36299,4-CHLORPHENOL,28078,4684,OC1=CC=C(Cl)C=C1,"InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H",WXNZTHHGJRFXKQ-UHFFFAOYSA-N
DB13155,531-75-9,Esculin,approved,27038404,,,1314351,,,,ZINC000003860441,CHEMBL482581,50480261,,4853,5281417,OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",XHCADAYNFIFUHF-TVKJYDDYSA-N
DB13156,36703-88-5,Inosine pranobex,approved,,J05AX05,D01995,6048,,,,,,,,,137229597,C[C@@H](O)CN(C)C.C[C@@H](O)CN(C)C.C[C@@H](O)CN(C)C.CC(=O)NC1=CC=C(C=C1)C(O)=O.CC(=O)NC1=CC=C(C=C1)C(O)=O.CC(=O)NC1=CC=C(C=C1)C(O)=O.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CNC2=O,"InChI=1S/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;;3*5-/m1...111/s1",YLDCUKJMEKGGFI-KSIULYHRSA-N
DB13157,1847-58-1,Sodium lauryl sulfoacetate,"['experimental', 'approved']",,A06AG11,,314832,,,,,,,,,23668827,[Na+].CCCCCCCCCCCCOC(=O)CS([O-])(=O)=O,"InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1",UAJTZZNRJCKXJN-UHFFFAOYSA-M
DB13158,54063-32-0,Clobetasone,approved,,"['S01CA11', 'D07AB01', 'S01BA09']",D07717,108074,,,,ZINC000005752185,,,,177795,71387,[H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl,"InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1",XXIFVOHLGBURIG-OZCCCYNHSA-N
DB13160,77-20-3,Alphaprodine,illicit,,,,594,,,132,ZINC000004626719,CHEMBL14309,,,,204163,CCC(=O)O[C@]1(CCN(C)C[C@H]1C)C1=CC=CC=C1,"InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16+/m1/s1",UVAZQQHAVMNMHE-CJNGLKHVSA-N
DB13161,1258984-36-9,Nusinersen,"['approved', 'investigational']",26823478,M09AX07,,1863556,,,,,,,,,,,,
DB13163,2451-01-6,Terpin hydrate,"['experimental', 'approved']",23113953,,,89916,,,,,,,,,,O.CC(C)(O)[C@H]1CC[C@@](C)(O)CC1,"InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2/t8-,10+;",JGKJMBOJWVAMIJ-OFAZAQPOSA-N
DB13164,1353550-13-6,Olmutinib,investigational,"['27357069', '26898616', '11369216', '27912760', '16226114', '27071706']",L01XE40,D10859,,,,5210,ZINC000198970879,CHEMBL3786343,50160871,OLMUTINIB,,54758501,CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3SC=CC3=N2)C=C1,"InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)",FDMQDKQUTRLUBU-UHFFFAOYSA-N
DB13165,223645-67-8,Ripasudil,experimental,"['26782355', '23787820', '25414122']",,,,,,4938,ZINC000003940873,CHEMBL3426621,50087135,RIPASUDIL,136046,9863672,C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1,"InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1",QSKQVZWVLOIIEV-NSHDSACASA-N
DB13166,81872-10-8,Zofenopril,approved,"['18046976', '18046974']","['C09AA15', 'C09BA15']",D08688,39990,,,2866,ZINC000003775162,CHEMBL331378,50084629,SQ-26991,78539,92400,C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1,"InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1",IAIDUHCBNLFXEF-MNEFBYGVSA-N
DB13167,22131-79-9,Alclofenac,"['withdrawn', 'approved']","['11318639', '4911592', '21068', '241593', '241595']",M01AB06,D01252,,,,107,ZINC000002014875,CHEMBL94081,,EPINAL,31183,30951,OC(=O)CC1=CC(Cl)=C(OCC=C)C=C1,"InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)",ARHWPKZXBHOEEE-UHFFFAOYSA-N
DB13168,,Omega-6 fatty acids,nutraceutical,"['16598260', '22570770', '12442909', '22254027', '17459764', '17045449', '18408140']",,,1495153,,,,,,,,,,,,
DB13169,434-22-0,Nandrolone,"['experimental', 'investigational']",,"['S01XA11', 'A14AB01']",,7244,PA164746281,6VW,1879,ZINC000003814379,CHEMBL757,50080092,NANDROLONE,7466,9904,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",NPAGDVCDWIYMMC-IZPLOLCNSA-N
DB13170,467426-54-6,Plecanatide,"['approved', 'investigational']",26016701,A06AX07,,1873752,,,5208,,CHEMBL2103867,,PLECANATIDE,,70693500,[H][C@@]12CSSC[C@H](NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O,"InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1",NSPHQWLKCGGCQR-DLJDZFDSSA-N
DB13171,111-03-5,Glyceryl 1-oleate,experimental,"['6269644', '22651926', '11283027']",,,1311678,,A6L,,,CHEMBL428593,50529937,,75342,5283468,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OCC(O)CO,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-",RZRNAYUHWVFMIP-KTKRTIGZSA-N
DB13172,11089-65-9,Tunicamycin,experimental,,,,,,,,,,,,,,,,
DB13173,151662-36-1,Cerliponase alfa,"['approved', 'investigational']","['23509301', '19038967', '19038966']",A16AB17,D10813,1922436,,,,,,,,,,,,
DB13174,478-43-3,Rhein,experimental,"['12193257', '23953579', '9570694', '19331167', '9030267', '20393018', '23864776', '12147197', '2907037', '21804209', '11300749', '11327257', '21751839', '19538468', '18514345', '9839088', '26185519', '23037158', '21457705', '18804415', '23139635', '23919963', '22449441', '21364120', '22344690', '10806046', '18814214']",,,,,RHN,,ZINC000004098704,CHEMBL418068,32021,,8825,10168,OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O,"InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)",FCDLCPWAQCPTKC-UHFFFAOYSA-N
DB13175,480-09-1,Rheinanthrone,experimental,"['24412547', '8094026', '2907037', '26185519', '3368514', '6117629']",,,,,,,ZINC000001636654,CHEMBL421615,50060855,,174546,119396,OC(=O)C1=CC(O)=C2C(CC3=C(C(O)=CC=C3)C2=O)=C1,"InChI=1S/C15H10O5/c16-10-3-1-2-7-4-8-5-9(15(19)20)6-11(17)13(8)14(18)12(7)10/h1-3,5-6,16-17H,4H2,(H,19,20)",OZFQHULMMDWMIV-UHFFFAOYSA-N
DB13177,18997-57-4,4-methylumbelliferyl beta-D-glucoside,experimental,,,,,,,,ZINC000004073899,CHEMBL1441570,18352,,91117,2733779,CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C12,"InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",YUDPTGPSBJVHCN-YMILTQATSA-N
DB13178,87-89-8,Inositol,"['withdrawn', 'approved', 'investigational']","['7359221', '9169302', '27642297', '22656408', '18615128', '11386498', '27213831', '18816828', '23641877', '19551544', '12133831', '19336734', '14608114', '24501149', '13143077', '18074942', '15206484', '21845803', '25010620', '20436797', '22339497', '27074126', '8946442', '11673644']",A11HA07,D08079,5833,,INS,1444,ZINC000100018867,CHEMBL1222251,,INOSITOL,17268,,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-",CDAISMWEOUEBRE-GPIVLXJGSA-N
DB13179,2751-09-9,Troleandomycin,approved,300083,J01FA08,D01322,10864,PA127840611,TAO,2769,ZINC000169307271,CHEMBL564085,50370258,,45735,202225,CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,"InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1",LQCLVBQBTUVCEQ-QTFUVMRISA-N
DB13180,526-95-4,Gluconic Acid,"['approved', 'investigational']",,,,,PA449770,GCO,3264,ZINC000001531008,CHEMBL464345,,,33198,10690,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",RGHNJXZEOKUKBD-SQOUGZDYSA-N
DB13181,13473-61-5,Methylbenactyzium,experimental,,,,,,,,ZINC000001718373,CHEMBL1996652,50491133,,,4134,CC[N+](C)(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H28NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,24H,4-5,16-17H2,1-3H3/q+1",HDAMOICMOAXFLJ-UHFFFAOYSA-N
DB13182,486-66-8,Daidzein,experimental,,,,,,,,ZINC000018847034,CHEMBL8145,23420,DAIDZEIN,28197,5281708,OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H",ZQSIJRDFPHDXIC-UHFFFAOYSA-N
DB13183,72950-39-1,Technetium Tc-99m etifenin,experimental,,V09DA02,,,,,,,,,,,131704327,[98Tc].CCC1=CC=CC(CC)=C1NC(=O)CN(CC(O)=O)CC(O)=O.CCC1=CC=CC(CC)=C1\N=C(/[O-])CN(CC([O-])=O)CC([O-])=O,"InChI=1S/2C16H22N2O5.Tc/c2*1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23;/h2*5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23);/p-3/i;;1+1",WITRLSOYTCFMKJ-FCHARDOESA-K
DB13185,1254-35-9,Oxabolone cipionate,experimental,"['18500378', '15248788', '15155420']",A14AB03,,,,,4681,ZINC000026892649,CHEMBL2105318,,,31940,68952,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=C(O)C(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1,"InChI=1S/C26H38O4/c1-26-15-14-18-17-9-11-22(27)25(29)20(17)8-7-19(18)21(26)10-12-23(26)30-24(28)13-6-16-4-2-3-5-16/h16-19,21,23,29H,2-15H2,1H3/t17-,18-,19-,21+,23+,26+/m1/s1",KHKDIUPVDIEHAH-KXLSUQFWSA-N
DB13189,12321-44-7,Calcitonin porcine,experimental,,H05BA02,,,,,,,,,,,,,,
DB13190,442-16-0,Ethacridine,experimental,,"['B05CA08', 'D08AA01']",,4106,,,3194,ZINC000018107429,CHEMBL94007,24709,ETHODIN,135032,2017,CCOC1=CC2=C(NC3=C(C=CC(N)=C3)C2=N)C=C1,"InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)",CIKWKGFPFXJVGW-UHFFFAOYSA-N
DB13191,67-07-2,Phosphocreatine,nutraceutical,"['26795537', '22297802', '24728259']",C01EB06,,,,,3464,ZINC000003869774,CHEMBL1204644,,PHOSPHOCREATINE,17287,587,CN(CC(O)=O)C(=N)NP(O)(O)=O,"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)",DRBBFCLWYRJSJZ-UHFFFAOYSA-N
DB13192,,Antihemophilic factor human,approved,"['11735604', '27487799', '10350471', '23815950', '27207420', '27390359', '25548513', '28335525']",B02BD02,,203083,,,,,,,,,,,,
DB13193,,Vitex agnus-castus fruit extract,experimental,"['11081988', '20854795']",G02CX03,,236664,,,,,,,,,,,,
DB13194,,Hedera helix leaf extract,experimental,,R05CA12,,1309795,,,,,,,,,,,,
DB13195,,Horse chestnut,experimental,"['16437450', '12518108']",C05CX03,,317825,,,,,,,,,,,,
DB13196,8057-49-6,Valerian,"['experimental', 'approved', 'investigational']",,N05CM09,,253206,,,,,,,,,,,,
DB13197,9001-01-8,Kallidinogenase,experimental,,C04AF01,,6095,,,,,,,,,,,,
DB13198,9001-75-6,Pepsin,"['experimental', 'approved', 'investigational']","['28585488', '26586244', '12089768', '15085964', '28982106']","['A09AC01', 'A09AA03']",,8016,,,,,,,,,,,,
DB13199,9000-99-1,Brinase,experimental,,B01AD06,,1307040,,,,,,,,,,,,
DB13200,1117844-87-7,Lipegfilgrastim,"['approved', 'investigational']","['26858523', '25251999', '27986986']",L03AA14,,1440046,,,,,,,,,,,,
DB13201,1232401-60-3,Trenonacog alfa,investigational,,,,,,,,,,,,,,,,
DB13202,17243-64-0,Piprozolin,experimental,,A05AX01,,33761,,,2196,,CHEMBL2105231,,,,5911905,[H]\C(C(=O)OCC)=C1\SC(N2CCCCC2)C(=O)N1CC,"InChI=1S/C14H22N2O3S/c1-3-16-11(10-12(17)19-4-2)20-14(13(16)18)15-8-6-5-7-9-15/h10,14H,3-9H2,1-2H3/b11-10-",UAXYBJSAPFTPNB-KHPPLWFESA-N
DB13203,2016-63-9,Bamifylline,experimental,,R03DA08,,18752,,,287,ZINC000000608191,CHEMBL2110760,,,135605,16229,CCN(CCO)CCN1C(CC2=CC=CC=C2)=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3",VVUYEFBRTFASAH-UHFFFAOYSA-N
DB13204,39589-98-5,Dimethyl carbate,experimental,,P03BX05,,,,,4770,ZINC000001678112,,,,136029,10921747,COC(=O)[C@H]1[C@@H]2C[C@@H](C=C2)[C@H]1C(=O)OC,"InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3/t6-,7+,8-,9+",VGQLNJWOULYVFV-SPJNRGJMSA-N
DB13205,5560-78-1,Teclozan,experimental,6252530,P01AC04,D06051,,,,2576,ZINC000008214685,CHEMBL1788387,,,135803,21723,CCOCCN(CC1=CC=C(CN(CCOCC)C(=O)C(Cl)Cl)C=C1)C(=O)C(Cl)Cl,"InChI=1S/C20H28Cl4N2O4/c1-3-29-11-9-25(19(27)17(21)22)13-15-5-7-16(8-6-15)14-26(10-12-30-4-2)20(28)18(23)24/h5-8,17-18H,3-4,9-14H2,1-2H3",MSJLJWCAEPENBL-UHFFFAOYSA-N
DB13206,3703-79-5,Bamethan,experimental,,C04AA31,,1321,,,286,,CHEMBL1987462,,VASOLAT,,2292,CCCCNCC(O)C1=CC=C(O)C=C1,"InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3",RDUHXGIIUDVSHR-UHFFFAOYSA-N
DB13207,4320-30-3,Arginine glutamate,investigational,,A05BA01,D02397,114464,,,,,CHEMBL2104514,,ARGININE GLUTAMATE,31234,139248613,N[C@@H](CCC(O)=O)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;3-/m00/s1",RVEWUBJVAHOGKA-WOYAITHZSA-N
DB13208,599-33-7,Prednylidene,experimental,,H02AB11,,12473,,,2254,ZINC000004214177,CHEMBL2105359,,PREDNYLIDENE,135572,20055008,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(=C)[C@]2(O)C(=O)CO,"InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1",WSVOMANDJDYYEY-CWNVBEKCSA-N
DB13209,1304-85-4,Bismuth subnitrate,approved,"['2129809', '7733075', '14530870', '2682129']",A02BX12,D01642,19477,,,,,,,,,73415757,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O--].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,InChI=1S/5Bi.4NO3.9H2O.O/c;;;;;4*2-1(3)4;;;;;;;;;;/h;;;;;;;;;9*1H2;/q5*+3;4*-1;;;;;;;;;;-2/p-9,QGWDKKHSDXWPET-UHFFFAOYSA-E
DB13210,7758-19-2,Sodium chlorite,experimental,20152022,D03AX11,,992920,,,,,CHEMBL1887585,,,78667,23668197,[Na+].[O-][Cl]=O,"InChI=1S/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",UKLNMMHNWFDKNT-UHFFFAOYSA-M
DB13211,2165-19-7,Guanoxan,approved,,C02CC03,,,,,1346,,CHEMBL76725,,,134871,16564,NC(=N)NCC1COC2=C(O1)C=CC=C2,"InChI=1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)",HIUVKVDQFXDZHU-UHFFFAOYSA-N
DB13212,143-74-8,Phenolsulfonphthalein,experimental,15871747,V04CH03,,8141,,,3439,ZINC000003860918,CHEMBL258921,,PHENOLSULFONPHTHALEIN,31991,4766,OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1,"InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H",BELBBZDIHDAJOR-UHFFFAOYSA-N
DB13213,653-03-2,Butaperazine,approved,,N05AB09,,,,,443,ZINC000022446639,CHEMBL1697826,50497150,,135663,12598,CCCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,"InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3",DVLBYTMYSMAKHP-UHFFFAOYSA-N
DB13214,115-68-4,Sulfadicramide,experimental,,S01AB03,,,,,3560,ZINC000000002093,CHEMBL2104910,,,135039,8281,CC(C)=CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14)",XRVJPLDTMUSSDE-UHFFFAOYSA-N
DB13215,297-83-6,Sulfobromophthalein,experimental,,V04CE02,,10212,,,,ZINC000003831484,CHEMBL574431,50300126,SULFOBROMOPHTHALEIN SODIUM,63836,5345,OC1=CC=C(C=C1S(O)(=O)=O)C1(OC(=O)C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC(=C(O)C=C1)S(O)(=O)=O,"InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)",OHTXTCNTQJFRIG-UHFFFAOYSA-N
DB13216,959-14-8,Oxolamine,approved,,R05DB07,,32658,,,2023,ZINC000000001874,CHEMBL1620875,,,94607,13738,CCN(CC)CCC1=NC(=NO1)C1=CC=CC=C1,"InChI=1S/C14H19N3O/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3",IDCHQQSVJAAUQQ-UHFFFAOYSA-N
DB13217,18046-21-4,Fentiazac,experimental,,"['M02AA14', 'M01AB10']",D01975,,,,1165,ZINC000000001444,CHEMBL589092,50309254,,94523,28871,OC(=O)CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)",JIEKMACRVQTPRC-UHFFFAOYSA-N
DB13218,90-64-2,Mandelic acid,approved,,"['J01XX06', 'B05CA06']",,29256,,,1629,,CHEMBL1609,92715,MANDELIC ACID,35825,1292,OC(C(O)=O)C1=CC=CC=C1,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)",IWYDHOAUDWTVEP-UHFFFAOYSA-N
DB13219,32359-34-5,Medifoxamine,approved,8668756,N06AX13,,29434,,,1656,ZINC000038605999,CHEMBL85231,,,135061,36109,CN(C)CC(OC1=CC=CC=C1)OC1=CC=CC=C1,"InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3",QNMGHBMGNRQPNL-UHFFFAOYSA-N
DB13220,75802-64-1,Ferrous aspartate,experimental,,B03AA09,,236617,,,,,,,,,13270162,[Fe++].N[C@@H](CC([O-])=O)C([O-])=O,"InChI=1S/C4H7NO4.Fe/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2/t2-;/m0./s1",KKPUODLFBBWJPH-DKWTVANSSA-L
DB13221,528-92-7,Apronalide,approved,13059410,N05CM12,,,,,3678,,CHEMBL509282,,,134827,10715,CC(C)C(CC=C)C(=O)NC(N)=O,"InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)",KSUUMAWCGDNLFK-UHFFFAOYSA-N
DB13222,7175-09-9,Tilbroquinol,approved,,P01AA05,,166718,,,2662,ZINC000000002170,CHEMBL1788385,,,134965,65592,CC1=C2C=CC=NC2=C(O)C(Br)=C1,"InChI=1S/C10H8BrNO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9/h2-5,13H,1H3",JMOVFFLYGIQXMM-UHFFFAOYSA-N
DB13223,33124-50-4,Fluocortin,experimental,10169671,D07AB04,D07972,,,,,ZINC000006031566,,,,182409,22875828,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)C(O)=O,"InChI=1S/C22H27FO5/c1-10-6-13-12-8-15(23)14-7-11(24)4-5-21(14,2)18(12)16(25)9-22(13,3)17(10)19(26)20(27)28/h4-5,7,10,12-13,15-18,25H,6,8-9H2,1-3H3,(H,27,28)/t10-,12+,13+,15+,16+,17-,18-,21+,22+/m1/s1",PUWHHWCHAVXSIG-NCLPIGKXSA-N
DB13224,77-03-2,Piperidione,experimental,,R05DB23,,,,,2189,ZINC000003875487,CHEMBL3707370,,,81302,6465,CCC1(CC)C(=O)CCNC1=O,"InChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)",RGEVWUKXWFOAID-UHFFFAOYSA-N
DB13225,4498-32-2,Dibenzepin,approved,,N06AA08,,3332,,,856,ZINC000000001275,CHEMBL1442422,50101814,,93394,9419,CN(C)CCN1C2=CC=CC=C2N(C)C2=CC=CC=C2C1=O,"InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3",QPGGEKPRGVJKQB-UHFFFAOYSA-N
DB13226,99-15-0,Acetylleucine,experimental,,N07CA04,,,,,71,,CHEMBL1875805,,TANGANIL,166830,1995,CC(C)CC(NC(C)=O)C(O)=O,"InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)",WXNXCEHXYPACJF-UHFFFAOYSA-N
DB13227,10310-32-4,Tribenoside,experimental,,"['C05AX05', 'C05CX01']",,38557,,,2730,,CHEMBL3301681,,TRIBENOSIDE,91780,196122,CCOC1O[C@H]([C@@H](COCC2=CC=CC=C2)OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1O,"InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26-,27-,28-,29?/m1/s1",ULLNJSBQMBKOJH-VIVFLBMVSA-N
DB13228,76568-02-0,Flosequinan,approved,28501522,C01DB01,,25089,,,1182,,CHEMBL1908307,,,134972,4474062,CN1C=C(C(=O)C2=C1C=C(F)C=C2)S(C)=O,"InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3",UYGONJYYUKVHDD-UHFFFAOYSA-N
DB13229,125-55-3,Enibomal,experimental,,N01AG01,,,,,3791,,CHEMBL92963,,,81294,18735,CC(C)C1(CC(Br)=C)C(=O)NC(=O)N(C)C1=O,"InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)",WGMASVSHOSNKMF-UHFFFAOYSA-N
DB13230,2137-18-0,Gestonorone,experimental,,"['G03DA01', 'L02AB03']",,4793,,,4563,ZINC000005167250,CHEMBL3707212,,,135991,102210,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",GTFUITFQDGVJSK-XGXHKTLJSA-N
DB13231,814-80-2,Calcium lactate,"['vet_approved', 'approved', 'investigational']",,A12AA05,,47622,,,,,CHEMBL2106111,,CALCIUM LACTATE,,521805,[Ca++].CC(O)C([O-])=O.CC(O)C([O-])=O,"InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",MKJXYGKVIBWPFZ-UHFFFAOYSA-L
DB13232,27470-51-5,Suxibuzone,experimental,,M02AA22,D01289,,PA166049191,,2547,ZINC000003875039,CHEMBL1414320,,,32173,5362,CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)",ONWXNHPOAGOMTG-UHFFFAOYSA-N
DB13233,60719-82-6,Alaproclate,experimental,"['7996440', '12851738']",N06AB07,D02787,,,,,,CHEMBL36591,76298,,91544,2081,CC(N)C(=O)OC(C)(C)CC1=CC=C(Cl)C=C1,"InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3",FZSPJBYOKQPKCD-UHFFFAOYSA-N
DB13234,1421-14-3,Propanidid,experimental,,N01AX04,,8758,,,3494,ZINC000002039588,CHEMBL2105345,,,135432,15004,CCCOC(=O)CC1=CC(OC)=C(OCC(=O)N(CC)CC)C=C1,"InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3",KEJXLQUPYHWCNM-UHFFFAOYSA-N
DB13235,14034-78-7,Perboric acid,approved,19466262,A01AB19,,,,,,ZINC000256057132,,,,,114931,OOB=O,InChI=1S/BHO3/c2-1-4-3/h3H,PEYVWSJAZONVQK-UHFFFAOYSA-N
DB13236,15489-16-4,Stibophen,experimental,,P02BX03,,,,,,,,,,,76959113,O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Sb+3].[O-]C1=C([O-])C(=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O.[O-]C1=C([O-])C(=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O,"InChI=1S/2C6H6O8S2.5Na.7H2O.Sb/c2*7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;;;;;;;;;;;/h2*1-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;;7*1H2;/q;;5*+1;;;;;;;;+3/p-8",ZDDUXABBRATYFS-UHFFFAOYSA-F
DB13237,37693-01-9,Clofoctol,experimental,,J01XX03,,21264,,,3109,ZINC000002149829,CHEMBL1476605,,,108581,2799,CC(C)(C)CC(C)(C)C1=CC=C(O)C(CC2=C(Cl)C=C(Cl)C=C2)=C1,"InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3",HQVZOORKDNCGCK-UHFFFAOYSA-N
DB13238,123-82-0,Tuaminoheptane,experimental,,"['R01AA11', 'R01AB08']",D07371,,,,3637,,CHEMBL123693,,,134753,5603,CCCCCC(C)N,"InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3",VSRBKQFNFZQRBM-UHFFFAOYSA-N
DB13239,99453-84-6,Neltenexine,experimental,,R05CB14,,,,,1894,,CHEMBL2106972,,,135789,,O[C@H]1CC[C@@H](CC1)NCC1=CC(Br)=CC(Br)=C1NC(=O)C1=CC=CS1,"InChI=1S/C18H20Br2N2O2S/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24)/t13-,14-",SSLHKNBKUBAHJY-HDJSIYSDSA-N
DB13240,508-77-0,Cymarin,experimental,,C01AC03,,,,,4408,ZINC000008214527,CHEMBL1075788,50255121,,4037,441853,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](OC)[C@H](O)[C@@H](C)O1)C1=CC(=O)OC1,"InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1",XQCGNURMLWFQJR-ZNDDOCHDSA-N
DB13241,1403744-56-8,Begelomab,"['experimental', 'investigational']",,L04AA35,,,,,,,,,,,,,,
DB13242,362-74-3,Bucladesine,experimental,,C01CE04,D07546,,,,415,ZINC000003861742,CHEMBL485980,,,50095,9687,CCCC(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1OC(=O)CCC,"InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1",CJGYSWNGNKCJSB-YVLZZHOMSA-N
DB13243,60084-10-8,Tiazofurine,experimental,3986813,L01XX18,D06130,,,TIZ,3605,ZINC000004217560,CHEMBL108358,50368057,,90239,457954,NC(=O)C1=CSC(=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1",FVRDYQYEVDDKCR-DBRKOABJSA-N
DB13244,56-91-7,Aminomethylbenzoic acid,experimental,81287,B02AA03,,14852,,4AZ,22,ZINC000012359009,CHEMBL328875,50408790,AMINOMETHYLBENZOIC ACID,134774,42552846,NCC1=CC=C(C=C1)C(O)=O,"InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)",QCTBMLYLENLHLA-UHFFFAOYSA-N
DB13245,137-26-8,Thiram,"['experimental', 'approved']",,P03AA05,D06114,10517,,,3601,ZINC000001532176,CHEMBL120563,43362,,9495,5455,CN(C)C(=S)SSC(=S)N(C)C,InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3,KUAZQDVKQLNFPE-UHFFFAOYSA-N
DB13246,31721-17-2,Quinupramine,approved,3417209,N06AA23,,35242,,,2348,,CHEMBL107360,,,135292,93154,C1CN2CCC1C(C2)N1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C21H24N2/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)23(19)21-15-22-13-11-18(21)12-14-22/h1-8,18,21H,9-15H2",JCBQCKFFSPGEDY-UHFFFAOYSA-N
DB13247,68497-62-1,Pramiracetam,approved,,N06BX16,,,,,2234,ZINC000001856108,CHEMBL159776,,,135110,51712,CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C,"InChI=1S/C14H27N3O2/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19/h11-12H,5-10H2,1-4H3,(H,15,18)",ZULJGOSFKWFVRX-UHFFFAOYSA-N
DB13248,85-73-4,Phthalylsulfathiazole,approved,21004767,"['A07AB02', 'G01AE10']",,33632,,,2158,ZINC000001530877,CHEMBL1524273,,,9336,4806,OC(=O)C1=CC=CC=C1C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,"InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)",PBMSWVPMRUJMPE-UHFFFAOYSA-N
DB13249,1343-88-0,Magnesium silicate,approved,,A02AA05,,1310566,,,,,,,,,72941442,[O--].[O--].[O--].[Mg++].[Si+4],InChI=1S/Mg.3O.Si/q+2;3*-2;+4,ZADYMNAVLSWLEQ-UHFFFAOYSA-N
DB13250,1115-84-0,Methylmethionine chloride,experimental,,A02BX04,,,,,3354,,CHEMBL1797128,,,6884,16217806,[Cl-].C[S+](C)CC[C@H](N)C(O)=O,"InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1",MYGVPKMVGSXPCQ-JEDNCBNOSA-N
DB13251,104-14-3,Octopamine,experimental,,C01CA18,,1311141,,,3396,,CHEMBL53929,32764,,17134,4581,NCC(O)C1=CC=C(O)C=C1,"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2",QHGUCRYDKWKLMG-UHFFFAOYSA-N
DB13252,27574-24-9,Tropatepine,experimental,776591,N04AA12,,38876,,,2772,ZINC000001481943,,,,,3034047,CN1[C@H]2CC[C@@H]1CC(C2)=C1C2=CC=CC=C2CSC2=C1C=CC=C2,"InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/t17-,18+",JOQKFRLFXDPXHX-HDICACEKSA-N
DB13253,2537-29-3,Proxibarbal,approved,,N05CA22,,83885,,,2322,,CHEMBL2105233,,,134928,17336,CC(O)CC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)",VNLMRPAWAMPLNZ-UHFFFAOYSA-N
DB13254,10236-81-4,Prifinium,experimental,2859117,A03AB18,,236174,,,,,CHEMBL1229214,,,,4905,CC[N+]1(CC)CCC(C1C)=C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H28N/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16-17H2,1-3H3/q+1",ZYEPZINLLPPBMI-UHFFFAOYSA-N
DB13255,2921-92-8,Propatyl nitrate,"['experimental', 'investigational']",,"['C01DA07', 'C01DA57']",,,,,2295,ZINC000008214664,CHEMBL488280,,PROPATYL NITRATE,135104,66261,CCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,"InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3",YZZCJYJBCUJISI-UHFFFAOYSA-N
DB13256,2058-52-8,Clothiapine,approved,,N05AH06,,2620,,,717,ZINC000026185346,CHEMBL304902,50040237,CLOTIAPINE,31424,16351,CN1CCN(CC1)C1=NC2=CC=CC=C2SC2=C1C=C(Cl)C=C2,"InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",KAAZGXDPUNNEFN-UHFFFAOYSA-N
DB13257,7720-78-7,Ferrous sulfate anhydrous,approved,"['25053935', '25989284', '23613366', '23049364', '24778671', '2776093', '11005764', '25101005', '22654638', '24310424', '25700159']",,,,,,,,,,,75832,24393,[Fe++].[O-]S([O-])(=O)=O,"InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",BAUYGSIQEAFULO-UHFFFAOYSA-L
DB13258,25287-60-9,Etofamide,approved,,P01AC03,,24607,,,1105,ZINC000002019951,CHEMBL1788393,,,135692,65718,CCOCCN(CC1=CC=C(OC2=CC=C(C=C2)[N+]([O-])=O)C=C1)C(=O)C(Cl)Cl,"InChI=1S/C19H20Cl2N2O5/c1-2-27-12-11-22(19(24)18(20)21)13-14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)23(25)26/h3-10,18H,2,11-13H2,1H3",QTRALMGDQMIVFF-UHFFFAOYSA-N
DB13259,75-00-3,Ethyl chloride,"['experimental', 'approved', 'investigational']",,N01BX01,,4141,,,3196,,CHEMBL46058,,GEBAUER'S ETHYL CHLORIDE,47554,6337,CCCl,"InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3",HRYZWHHZPQKTII-UHFFFAOYSA-N
DB13260,12650-88-3,Lysozyme,"['experimental', 'investigational']",,"['D06BB07', 'J05AX02']",,7094,,,,,,,,,,,,
DB13261,163253-35-8,Sitafloxacin,"['experimental', 'investigational']",,J01MA21,,,,,,,,,,,72734323,O.O.O.N[C@@H]1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN([C@@H]3C[C@@H]3F)C2=C1Cl)C(O)=O.N[C@@H]1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN([C@@H]3C[C@@H]3F)C2=C1Cl)C(O)=O,"InChI=1S/2C19H18ClF2N3O3.3H2O/c2*20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19;;;/h2*3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);3*1H2/t2*10-,12+,13+;;;/m00.../s1",MPORYQCGWFQFLA-ONPDANIMSA-N
DB13262,827-61-2,Aceclidine,approved,,"['S01EB58', 'S01EB08']",,,,,4314,,CHEMBL20835,50034625,ACECLIDINE,93847,1979,CC(=O)OC1CN2CCC1CC2,"InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3",WRJPSSPFHGNBMG-UHFFFAOYSA-N
DB13263,84604-10-4,Quassia,experimental,,P03AX04,,1310168,,,,,,,,,,,,
DB13264,4599-60-4,Penimepicycline,experimental,,J01AA10,D07233,,,,,,CHEMBL3833378,,,75258,,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O.[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,"InChI=1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16-,17-,22-,28+,29-;11-,12+,14-/m01/s1",MEGKRPMNPGTIIG-VNYBMUHKSA-N
DB13265,54-03-5,Hexobendine,approved,,C01DX06,,5303,,,1370,ZINC000022463202,CHEMBL127300,50225480,,135843,5777,COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3",KRQAMFQCSAJCRH-UHFFFAOYSA-N
DB13266,51627-14-6,Cefatrizine,experimental,,J01DB07,D02406,2179,,,529,ZINC000003830404,CHEMBL1095284,,S-640P,131730,6410758,[H][C@@]1(NC(=O)[C@H](N)C2=CC=C(O)C=C2)C(=O)N2C(C(O)=O)=C(CSC3=CNN=N3)CS[C@]12[H],"InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1",UOCJDOLVGGIYIQ-PBFPGSCMSA-N
DB13267,34914-39-1,Ritiometan,approved,,R01AX05,,,,,4697,ZINC000002019920,CHEMBL2105322,,,136023,65787,OC(=O)CSC(SCC(O)=O)SCC(O)=O,"InChI=1S/C7H10O6S3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h7H,1-3H2,(H,8,9)(H,10,11)(H,12,13)",ZBNBQISDCFIEQC-UHFFFAOYSA-N
DB13268,97-44-9,Acetarsol,"['withdrawn', 'approved']","['13374373', '29457211', '21577301', '13199327']","['A07AX02', 'P01CD02', 'G01AB01']",,,,,55,,CHEMBL1330792,50240028,,135135,1985,CC(=O)NC1=CC(=CC=C1O)[As](O)(O)=O,"InChI=1S/C8H10AsNO5/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12/h2-4,12H,1H3,(H,10,11)(H2,13,14,15)",ODFJOVXVLFUVNQ-UHFFFAOYSA-N
DB13269,1777-82-8,Dichlorobenzyl alcohol,approved,"['22579007', '28398972', '28280379', '15889535']",R02AA03,,22906,,,3140,ZINC000000157458,CHEMBL3184437,50498198,DICHLOROBENZYL ALCOHOL,48220,15684,OCC1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2",DBHODFSFBXJZNY-UHFFFAOYSA-N
DB13270,34493-98-6,Dibekacin,approved,,J01GB09,D07811,3328,,84D,855,ZINC000008214383,CHEMBL560976,,DIBEKACIN,37945,470999,NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1,"InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",JJCQSGDBDPYCEO-XVZSLQNASA-N
DB13271,8021-39-4,Wood creosote,"['experimental', 'investigational']",,R05CA08,,2915,,,,,,,,,,,,
DB13272,13957-36-3,Meladrazine,experimental,,G04BD03,,,,,3756,ZINC000005650290,CHEMBL2105242,,,135034,71679,CCN(CC)C1=NC(=NN)N=C(N1)N(CC)CC,"InChI=1S/C11H23N7/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4/h5-8,12H2,1-4H3,(H,13,14,15,16)",IRQOBYXMACIFKD-UHFFFAOYSA-N
DB13273,53583-79-2,Sultopride,approved,,N05AL02,,37416,,,2541,,CHEMBL277945,86720,SULTOPRIDE,9356,5357,CCN1CCCC1CNC(=O)C1=CC(=CC=C1OC)S(=O)(=O)CC,"InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)",UNRHXEPDKXPRTM-UHFFFAOYSA-N
DB13274,52093-21-7,Micronomicin,approved,,S01AA22,,29996,,,1801,ZINC000008214612,CHEMBL373081,,,81283,3037206,CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1,"InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1",DNYGXMICFMACRA-XHEDQWPISA-N
DB13275,1146-99-2,Clorindione,experimental,,B01AA09,,,,,3111,ZINC000100003913,CHEMBL278519,50280162,,135057,70846,ClC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",NJDUWAXIURWWLN-UHFFFAOYSA-N
DB13276,25466-44-8,Idanpramine,experimental,,A03AX06,,,,,4574,,CHEMBL3707301,,,81300,58521,COC1=CC=C(C=C1)C1(NC(=O)N(CCN2CCCCC2)C1=O)C1=CC=C(OC)C=C1,"InChI=1S/C24H29N3O4/c1-30-20-10-6-18(7-11-20)24(19-8-12-21(31-2)13-9-19)22(28)27(23(29)25-24)17-16-26-14-4-3-5-15-26/h6-13H,3-5,14-17H2,1-2H3,(H,25,29)",HVYGXNYMNHSBGD-UHFFFAOYSA-N
DB13277,68-90-6,Benziodarone,"['withdrawn', 'approved']",2257602,"['C01DX54', 'C01DX04']",,,,,321,ZINC000003875456,CHEMBL232201,50209206,,135814,6237,CCC1=C(C(=O)C2=CC(I)=C(O)C(I)=C2)C2=CC=CC=C2O1,"InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",CZCHIEJNWPNBDE-UHFFFAOYSA-N
DB13278,1083-57-4,Bucetin,"['withdrawn', 'approved']",,"['N02BE54', 'N02BE04', 'N02BE74']",,,,,413,,CHEMBL1697856,,,31311,14130,CCOC1=CC=C(NC(=O)CC(C)O)C=C1,"InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)",LIAWQASKBFCRNR-UHFFFAOYSA-N
DB13279,804-10-4,Carbocromen,"['withdrawn', 'approved']",,C01DX05,,2508,,,3098,ZINC000004215319,CHEMBL163672,,,135525,12604,CCOC(=O)COC1=CC2=C(C=C1)C(C)=C(CCN(CC)CC)C(=O)O2,"InChI=1S/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3",KLOIYEQEVSIOOO-UHFFFAOYSA-N
DB13280,19022-77-6,Aluminium acetoacetate,experimental,,A02AB05,,,,,,,CHEMBL3707335,,,138819,129721788,[Al+3].CC(=O)CC([O-])=O.CC(=O)CC([O-])=O.CC(=O)CC([O-])=O,"InChI=1S/3C4H6O3.Al/c3*1-3(5)2-4(6)7;/h3*2H2,1H3,(H,6,7);/q;;;+3/p-3",DEVXQDKRGJCZMV-UHFFFAOYSA-K
DB13281,9001-00-7,Bromelains,investigational,"['23304525', '15841258', '7382892']","['M09AB03', 'D03BA03']",,1752,,,,,,,,,,,,
DB13282,10328-35-5,Benzododecinium,experimental,,D09AA05,,1311593,,,,ZINC000038141462,CHEMBL1907001,,,135611,8754,CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1,"InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1",CYDRXTMLKJDRQH-UHFFFAOYSA-N
DB13283,515-64-0,Sulfaisodimidine,experimental,13345625,J01EB01,,10206,,,2526,ZINC000000056658,CHEMBL485696,,,32166,5343,CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC(C)=N1,"InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",YZMCKZRAOLZXAZ-UHFFFAOYSA-N
DB13284,1084-65-7,Meticrane,approved,,"['C03BA09', 'G01AE10']",,,,,1777,ZINC000000001718,CHEMBL1318341,,,31839,4165,CC1=CC2=C(C=C1S(N)(=O)=O)S(=O)(=O)CCC2,"InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)",FNQQBFNIYODEMB-UHFFFAOYSA-N
DB13285,457-87-4,Etilamfetamine,experimental,,A08AA06,,,,,1100,,CHEMBL276443,,,134796,9982,CCNC(C)CC1=CC=CC=C1,"InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3",YAGBSNMZQKEFCO-UHFFFAOYSA-N
DB13286,3583-64-0,Bumadizone,approved,,M01AB07,,19847,,,426,,CHEMBL2105456,,,76119,19161,CCCCC(C(O)=O)C(=O)N(NC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)",FLWFHHFTIRLFPV-UHFFFAOYSA-N
DB13287,55881-07-7,Miocamycin,approved,7506653,J01FA11,,236200,,,1815,,,,,,,,,
DB13288,53783-83-8,Tromantadine,approved,,"['D06BB02', 'J05AC03']",,38868,,,3634,ZINC000004214578,CHEMBL3989506,,TROMANTADINE,135163,64377,CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2,"InChI=1S/C16H28N2O2/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)",UXQDWARBDDDTKG-UHFFFAOYSA-N
DB13289,35615-72-6,Rimazolium,experimental,3261171,N02BG02,,,,,,,CHEMBL1182743,,,135025,71940,CCOC(=O)C1=C[N+](C)=C2CCCC(C)N2C1=O,"InChI=1S/C13H19N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h8-9H,4-7H2,1-3H3/q+1",JOWRFSPJFXLGGY-UHFFFAOYSA-N
DB13290,6818-37-7,Olaflur,experimental,,A01AA03,,,,,4311,,CHEMBL2106575,,,,23257,F.F.CCCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO,"InChI=1S/C27H58N2O3.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(22-25-30)20-18-21-29(23-26-31)24-27-32;;/h30-32H,2-27H2,1H3;2*1H",ZVVSSOQAYNYNPP-UHFFFAOYSA-N
DB13291,3611-72-1,Cloridarol,experimental,934497,C01DX15,,,,,3106,,CHEMBL2104094,,,135066,71132,OC(C1=CC2=CC=CC=C2O1)C1=CC=C(Cl)C=C1,"InChI=1S/C15H11ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15,17H",KBFBRIPYVVGWRS-UHFFFAOYSA-N
DB13292,314-03-4,Pimethixene,approved,,R06AX23,,33712,,,2169,ZINC000000000627,CHEMBL152408,50097224,,94787,4822,CN1CCC(CC1)=C1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3",NZLVRVYNQYGMAB-UHFFFAOYSA-N
DB13293,8012-96-2,Ipecac,"['withdrawn', 'approved']","['19227966', '9365428', '15504189', '11996324']","['R05CA04', 'V03AB01']",,5975,,,,,,,,,,,,
DB13294,13838-08-9,Azidamfenicol,experimental,,S01AA25,,,,,3011,ZINC000043649866,CHEMBL3989525,,,135238,62858,OC[C@@H](NC(=O)CN=[N+]=[N-])[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)/t9-,11-/m1/s1",SGRUZFCHLOFYHZ-MWLCHTKSSA-N
DB13295,64228-79-1,Atracurium,"['experimental', 'approved', 'investigational']",,M03AC04,,1218,,,259,,,,,,,,,
DB13296,104-32-5,Propamidine,"['experimental', 'investigational']",,"['S01AX15', 'D08AC03']",,34633,,TNT,3493,ZINC000001665564,CHEMBL23013,50368092,PROPAMIDINE,87462,64949,NC(=N)C1=CC=C(OCCCOC2=CC=C(C=C2)C(N)=N)C=C1,"InChI=1S/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)",WTFXJFJYEJZMFO-UHFFFAOYSA-N
DB13297,6961-46-2,Idrocilamide,experimental,,M02AX05,,19729,,,1418,ZINC000001677143,CHEMBL102358,,,,1550874,OCCNC(=O)\C=C\C1=CC=CC=C1,"InChI=1S/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)/b7-6+",OSCTXCOERRNGLW-VOTSOKGWSA-N
DB13298,34765-96-3,Alsactide,experimental,,V04CH04,,,,,139,,CHEMBL3989434,,,135911,16129705,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN,"InChI=1S/C99H155N29O21S/c1-59(2)84(97(148)113-56-81(132)115-68(26-10-14-40-101)87(138)119-69(27-11-15-41-102)88(139)118-67(25-9-13-39-100)85(136)109-45-18-17-43-104)127-96(147)79-30-20-47-128(79)98(149)73(28-12-16-42-103)116-82(133)55-112-86(137)76(51-62-53-111-66-24-8-7-23-65(62)66)124-89(140)70(29-19-46-110-99(106)107)120-93(144)75(49-60-21-5-4-6-22-60)123-94(145)77(52-63-54-108-58-114-63)125-90(141)71(35-36-83(134)135)121-91(142)72(38-48-150-3)122-95(146)78(57-129)126-92(143)74(117-80(131)37-44-105)50-61-31-33-64(130)34-32-61/h4-8,21-24,31-34,53-54,58-59,67-79,84,111,129-130H,9-20,25-30,35-52,55-57,100-105H2,1-3H3,(H,108,114)(H,109,136)(H,112,137)(H,113,148)(H,115,132)(H,116,133)(H,117,131)(H,118,139)(H,119,138)(H,120,144)(H,121,142)(H,122,146)(H,123,145)(H,124,140)(H,125,141)(H,126,143)(H,127,147)(H,134,135)(H4,106,107,110)/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-/m0/s1",DIDCGVRALANKIU-OTEFFYEFSA-N
DB13299,54182-59-1,Sulglicotide,experimental,,A02BX08,,,,,,,,,,,,,,
DB13300,26774-90-3,Epicillin,experimental,,J01CA07,,,,,1025,ZINC000004215810,CHEMBL2104266,,,58974,71392,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(O)=O,"InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",RPBAFSBGYDKNRG-NJBDSQKTSA-N
DB13302,1394-02-1,Hachimycin,experimental,,"['D01AA03', 'J02AA02', 'G01AA06']",,,,,,,,,,,,,,
DB13303,13246-02-1,Febarbamate,experimental,,M03BA05,,24807,,,1135,,CHEMBL2104283,,,135655,25803,CCCCOCC(CN1C(=O)NC(=O)C(CC)(C1=O)C1=CC=CC=C1)OC(N)=O,"InChI=1S/C20H27N3O6/c1-3-5-11-28-13-15(29-18(21)26)12-23-17(25)20(4-2,16(24)22-19(23)27)14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,21,26)(H,22,24,27)",QHZQILHUJDRDAI-UHFFFAOYSA-N
DB13304,68-76-8,Triaziquone,experimental,,L01AC02,,,,,4372,ZINC000008214696,CHEMBL313302,,,27090,6235,O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1,"InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2",PXSOHRWMIRDKMP-UHFFFAOYSA-N
DB13305,5632-44-0,Tolpropamine,experimental,,D04AA12,,,,,3618,,CHEMBL2107261,,,135035,72141,CN(C)CCC(C1=CC=CC=C1)C1=CC=C(C)C=C1,"InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3",CINROOONPHQHPO-UHFFFAOYSA-N
DB13306,72-80-0,Chlorquinaldol,approved,"['28642751', '478062', '20435781', '24115839']","['D08AH02', 'G01AC03', 'R02AA11', 'P01AA04']",D07208,2407,,,3095,ZINC000000119403,CHEMBL224325,76302,CHLORQUINALDOL,74500,6301,CC1=NC2=C(C=C1)C(Cl)=CC(Cl)=C2O,"InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3",GPTXWRGISTZRIO-UHFFFAOYSA-N
DB13307,466-06-8,Proscillaridin,experimental,"['25400117', '16819197']","['C01AB51', 'C01AB01']",,8795,,,2313,ZINC000008214665,CHEMBL600325,430636,,32065,5284613,[H][C@@]1(CC[C@]2(O)[C@]3([H])CCC4=C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O)C1=COC(=O)C=C1,"InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1",MYEJFUXQJGHEQK-ALRJYLEOSA-N
DB13308,27035-30-9,Oxametacin,experimental,,M01AB13,,,,,2008,ZINC000000608008,CHEMBL295829,50012893,,76255,33675,COC1=CC=C2N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C(CC(=O)NO)C2=C1,"InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)",AJRNYCDWNITGHF-UHFFFAOYSA-N
DB13309,2156-27-6,Benproperine,experimental,,R05DB02,,236749,,,5236,,CHEMBL2105910,,,94380,2326,CC(COC1=CC=CC=C1CC1=CC=CC=C1)N1CCCCC1,"InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3",JTUQXGZRVLWBCR-UHFFFAOYSA-N
DB13310,31477-60-8,Ormeloxifene,experimental,,G03XC04,,,,,570,ZINC000001730388,CHEMBL301327,50219398,,,35805,[H][C@@]1(C2=CC=C(OCCN3CCCC3)C=C2)C2=C(OC(C)(C)[C@@]1([H])C1=CC=CC=C1)C=C(OC)C=C2,"InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m1/s1",XZEUAXYWNKYKPL-WDYNHAJCSA-N
DB13311,41826-92-0,Trepibutone,experimental,,A03AX09,,44532,,,2719,ZINC000000002208,CHEMBL1725880,,,32255,5536,CCOC1=CC(OCC)=C(OCC)C=C1C(=O)CCC(O)=O,"InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)",YPTFHLJNWSJXKG-UHFFFAOYSA-N
DB13312,83435-66-9,Delapril,investigational,,"['C09BA12', 'C09BB12', 'C09AA12']",,,,,798,ZINC000003794599,CHEMBL589583,,DELAPRIL,135735,40466929,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(O)=O)C1CC2=C(C1)C=CC=C2,"InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)/t18-,23-/m0/s1",WOUOLAUOZXOLJQ-MBSDFSHPSA-N
DB13313,7101-51-1,Melevodopa,experimental,,"['N04BA05', 'N04BA04']",,,,,1673,ZINC000019861870,CHEMBL1328898,,,134880,23497,COC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1,"InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m0/s1",XBBDACCLCFWBSI-ZETCQYMHSA-N
DB13314,39718-89-3,Alminoprofen,experimental,,M01AE16,D01513,17387,,,126,,CHEMBL1765293,,,31190,2097,CC(C(O)=O)C1=CC=C(NCC(C)=C)C=C1,"InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)",FPHLBGOJWPEVME-UHFFFAOYSA-N
DB13315,42370-41-2,Sobrerol,experimental,,R05CB07,,36669,,,,ZINC000000407097,CHEMBL2374961,,,,854498,CC1=CC[C@H](C[C@@H]1O)C(C)(C)O,"InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1",OMDMTHRBGUBUCO-BDAKNGLRSA-N
DB13316,66195-31-1,Ibopamine,experimental,,"['S01FB03', 'C01CA16']",,51253,,,1405,ZINC000001542906,CHEMBL307739,,,135306,68555,CNCCC1=CC(OC(=O)C(C)C)=C(OC(=O)C(C)C)C=C1,"InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3",WDKXLLJDNUBYCY-UHFFFAOYSA-N
DB13317,66934-18-7,Flunoxaprofen,experimental,,"['M01AE15', 'G02CC04']",,,PA166049179,,1203,ZINC000000000319,CHEMBL1614641,,,76154,68869,C[C@H](C(O)=O)C1=CC=C2OC(=NC2=C1)C1=CC=C(F)C=C1,"InChI=1S/C16H12FNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1",ARPYQKTVRGFPIS-VIFPVBQESA-N
DB13318,477-30-5,Demecolcine,experimental,,L01CC01,,,,LON,4375,ZINC000003872132,CHEMBL312862,50014872,,4393,220401,[H][C@@]1(CCC2=CC(OC)=C(OC)C(OC)=C2C2=CC=C(OC)C(=O)C=C12)NC,"InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1",NNJPGOLRFBJNIW-HNNXBMFYSA-N
DB13319,76448-31-2,Propenidazole,experimental,,"['G01AF14', 'P01AB05']",,,,,4025,ZINC000000001990,CHEMBL1788390,,,135098,6446788,CCOC(=O)C(=C\C1=NC=C(N1C)[N+]([O-])=O)\C(C)=O,"InChI=1S/C11H13N3O5/c1-4-19-11(16)8(7(2)15)5-9-12-6-10(13(9)3)14(17)18/h5-6H,4H2,1-3H3/b8-5+",GCHKUUOPYMFGEY-VMPITWQZSA-N
DB13320,599-88-2,Sulfaperin,experimental,,J01ED06,,,,,2522,ZINC000000002102,CHEMBL2105499,,,131722,68933,CC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1,"InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",DZQVFHSCSRACSX-UHFFFAOYSA-N
DB13321,143-47-5,Methiodal,experimental,,V08AA09,,,,,3346,ZINC000008214608,CHEMBL2110978,,,134912,31346,OS(=O)(=O)CI,"InChI=1S/CH3IO3S/c2-1-6(3,4)5/h1H2,(H,3,4,5)",RDFJFVXMRYVOAC-UHFFFAOYSA-N
DB13322,12304-65-3,Hydrotalcite,"['experimental', 'approved', 'investigational']",,A02AD04,,27221,,,,,,,,,73415812,O.O.O.O.O.O.O.O.O.O.O.O.[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Al+3].[Al+3].[O-]C([O-])=O,"InChI=1S/CH2O3.2Al.6Mg.12H2O.9O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;12*1H2;;;;;;;;;/q;2*+3;6*+2;;;;;;;;;;;;;9*-2/p-2",BEBILBPAQKONJS-UHFFFAOYSA-L
DB13323,79-01-6,Trichloroethylene,approved,,N01AB05,,2534464,PA166115521,TCV,3628,ZINC000008214699,CHEMBL279816,,TRICHLOROETHYLENE,16602,6575,ClC=C(Cl)Cl,InChI=1S/C2HCl3/c3-1-2(4)5/h1H,XSTXAVWGXDQKEL-UHFFFAOYSA-N
DB13324,10379-14-3,Tetrazepam,experimental,,M03BX07,,37985,,,2614,ZINC000000002144,CHEMBL2105527,,MYOLASTAN,135198,25215,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CCCCC1,"InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3",IQWYAQCHYZHJOS-UHFFFAOYSA-N
DB13325,39978-42-2,Nifurzide,experimental,,A07AX04,,31786,,,1931,ZINC000001542910,CHEMBL2106530,,,135428,9571044,[O-][N+](=O)C1=CC=C(O1)\C=C\C=N\NC(=O)C1=CC=C(S1)[N+]([O-])=O,"InChI=1S/C12H8N4O6S/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)/b2-1+,13-7+",IDUMOVRJNBNOTR-BIZLIJPVSA-N
DB13326,86-40-8,Euflavine,experimental,,D08AA03,,,,,,,CHEMBL354349,,,383703,6842,[Cl-].C[N+]1=C2C=C(N)C=CC2=CC2=C1C=C(N)C=C2,"InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H",KKAJSJJFBSOMGS-UHFFFAOYSA-N
DB13327,32828-81-2,Picotamide,experimental,,B01AC03,,,,,2161,ZINC000000538174,CHEMBL1257015,50103507,,93175,4814,COC1=CC=C(C=C1C(=O)NCC1=CC=CN=C1)C(=O)NCC1=CC=CN=C1,"InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)",KYWCWBXGRWWINE-UHFFFAOYSA-N
DB13328,3785-21-5,Butanilicaine,experimental,,N01BB05,D07284,,,,3691,ZINC000001841441,CHEMBL2104238,,,55518,22379,CCCCNCC(=O)NC1=C(C)C=CC=C1Cl,"InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)",VWYQKFLLGRBICZ-UHFFFAOYSA-N
DB13329,489-84-9,Guaiazulen,experimental,,S01XA01,,26290,,,3272,ZINC000000968478,CHEMBL1408759,,,5550,3515,CC(C)C1=CC2=C(C)C=CC2=C(C)C=C1,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",FWKQNCXZGNBPFD-UHFFFAOYSA-N
DB13330,30578-37-1,Amezinium metilsulfate,experimental,,C01CA25,,,,,153,,CHEMBL2106667,,,31201,88629861,COS([O-])(=O)=O.COC1=CC(N)=CN=[N+]1C1=CC=CC=C1,"InChI=1S/C11H11N3O.CH4O4S/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10;1-5-6(2,3)4/h2-8,12H,1H3;1H3,(H,2,3,4)",ZEASXVYVFFXULL-UHFFFAOYSA-N
DB13331,77-04-3,Pyrithyldione,experimental,,N05CE03,,,,,3509,ZINC000003861492,CHEMBL1722501,,PYRITHYLDIONE,94590,4994,CCC1(CC)C(=O)NC=CC1=O,"InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)",NZASCBIBXNPDMH-UHFFFAOYSA-N
DB13332,141-03-7,Dibutylsuccinate,experimental,,P03BX04,,,,,4415,ZINC000001576862,CHEMBL1788388,,,82263,8830,CCCCOC(=O)CCC(=O)OCCCC,"InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3",YUXIBTJKHLUKBD-UHFFFAOYSA-N
DB13333,119-41-5,Efloxate,experimental,,C01DX13,,23852,,,991,ZINC000000001342,CHEMBL1349073,,,31531,8395,CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C1=CC=CC=C1,"InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3",ZVXBAHLOGZCFTP-UHFFFAOYSA-N
DB13334,7518-35-6,Mannosulfan,experimental,,L01AB03,,,,,4598,ZINC000044361935,CHEMBL460282,,,136005,20055482,CS(=O)(=O)OC[C@@H](OS(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H](COS(C)(=O)=O)OS(C)(=O)=O,"InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1",UUVIQYKKKBJYJT-ZYUZMQFOSA-N
DB13335,52463-83-9,Pinazepam,experimental,,N05BA14,,,,,2175,,CHEMBL1213352,,DOMAR,135315,40391,ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1,"InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2",MFZOSKPPVCIFMT-UHFFFAOYSA-N
DB13336,131-11-3,Dimethylphthalate,experimental,,P03BX02,,,,,4771,ZINC000000391885,CHEMBL323348,50090983,,4609,8554,COC(=O)C1=CC=CC=C1C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3",NIQCNGHVCWTJSM-UHFFFAOYSA-N
DB13337,147-55-7,Pheneticillin,approved,,"['J01CE05', 'J01CR50']",,33277,,,2124,,CHEMBL1614637,50240064,PHENETICILLIN,52427,272833,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C)OC1=CC=CC=C1)C(O)=O,"InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15-/m1/s1",NONJJLVGHLVQQM-JHXYUMNGSA-N
DB13338,82664-20-8,Flurithromycin,experimental,,J01FA14,,,,,1221,ZINC000085540108,CHEMBL2106403,,,131719,71260,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,"InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1",XOEUHCONYHZURQ-HNUBZJOYSA-N
DB13339,1954-28-5,Etoglucid,experimental,,L01AG01,,4132,,,3213,,CHEMBL460287,,,82542,16058,C(COCCOCC1CO1)OCCOCC1CO1,"InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2",UMILHIMHKXVDGH-UHFFFAOYSA-N
DB13340,54767-75-8,Suloctidil,experimental,,C04AX19,,,,,2536,ZINC000008035369,CHEMBL1520837,,,,6604413,CCCCCCCCN[C@@H](C)[C@H](O)C1=CC=C(SC(C)C)C=C1,"InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m0/s1",BFCDFTHTSVTWOG-PXNSSMCTSA-N
DB13341,15302-16-6,Fenozolone,experimental,,N06BA08,,24860,,,1157,,CHEMBL2104907,,,134865,135436543,CCNC1=NC(=O)C(O1)C1=CC=CC=C1,"InChI=1S/C11H12N2O2/c1-2-12-11-13-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13,14)",RXOIEVSUURELPG-UHFFFAOYSA-N
DB13342,23887-41-4,Cinepazet,experimental,,C01DX14,,,,,650,ZINC000038595418,CHEMBL2110784,,,135617,6434395,CCOC(=O)CN1CCN(CC1)C(=O)\C=C\C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3/b7-6+",XDUOTWNXVDBCDY-VOTSOKGWSA-N
DB13343,4991-65-5,Tioxolone,experimental,,D10AB03,,2059173,,,3607,ZINC000000002181,CHEMBL442687,50252093,,568021,72139,OC1=CC2=C(SC(=O)O2)C=C1,"InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H",SLYPOVJCSQHITR-UHFFFAOYSA-N
DB13344,10124-48-8,Mercuric amidochloride,experimental,,D08AK01,,29542,,,4786,,,,,134744,23724951,[NH2-].[Cl-].[Hg++],InChI=1S/ClH.Hg.H2N/h1H;;1H2/q;+2;-1/p-1,WRWRKDRWMURIBI-UHFFFAOYSA-M
DB13345,17479-19-5,Dihydroergocristine,"['experimental', 'approved']","['3147464', '26567970', '16379666', '1492859', '1492857', '1271240']","['C04AE54', 'C04AE04']",D07834,3416,,,887,ZINC000003995616,CHEMBL601773,50390992,DIHYDROERGOCRISTINE,59912,107715,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1",DEQITUUQPICUMR-HJPBWRTMSA-N
DB13346,2438-72-4,Bufexamac,"['withdrawn', 'approved']","['3388925', '9165205', '1204506']","['M01AB17', 'M02AA09']",D01271,1796,,A4Z,3047,ZINC000003871797,CHEMBL94394,50015144,,31317,2466,CCCCOC1=CC=C(CC(=O)NO)C=C1,"InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)",MXJWRABVEGLYDG-UHFFFAOYSA-N
DB13347,82-66-6,Diphenadione,experimental,,B01AA10,,,,,4450,ZINC000100044649,CHEMBL1413199,,,81896,6719,O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)C1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H",JYGLAHSAISAEAL-UHFFFAOYSA-N
DB13348,6964-20-1,Tiadenol,experimental,,C10AX03,,38248,,,2647,ZINC000004217555,CHEMBL1697775,,DELIPID,135235,23403,OCCSCCCCCCCCCCSCCO,"InChI=1S/C14H30O2S2/c15-9-13-17-11-7-5-3-1-2-4-6-8-12-18-14-10-16/h15-16H,1-14H2",WRCITXQNXAIKLR-UHFFFAOYSA-N
DB13349,16188-61-7,Talastine,experimental,,R06AB07,,,,,3579,ZINC000000002122,CHEMBL1742439,,,135308,65624,CN(C)CCN1N=C(CC2=CC=CC=C2)C2=CC=CC=C2C1=O,"InChI=1S/C19H21N3O/c1-21(2)12-13-22-19(23)17-11-7-6-10-16(17)18(20-22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",LCAAMXMULMCKLJ-UHFFFAOYSA-N
DB13350,62973-76-6,Azanidazole,experimental,,"['G01AF13', 'P01AB04']",,,,,264,,CHEMBL134920,,,135001,6436171,CN1C(\C=C\C2=CC=NC(N)=N2)=NC=C1[N+]([O-])=O,"InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+",LHIALLMPKJMSIQ-NSCUHMNNSA-N
DB13351,82-98-4,Piperidolate,experimental,,A03AA30,,59064,,,2190,,CHEMBL1623992,82378,,91986,4839,CCN1CCCC(C1)OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3",KTHVBAZBLKXIHZ-UHFFFAOYSA-N
DB13352,108-01-0,Deanol,experimental,,N06BX04,,3116,,,787,ZINC000001641058,CHEMBL1135,50060526,,271436,7902,CN(C)CCO,"InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",UEEJHVSXFDXPFK-UHFFFAOYSA-N
DB13353,21363-18-8,Viminol,experimental,,N02BG05,,,,,2821,,CHEMBL2104940,,,135532,65697,CCC(C)N(CC(O)C1=CC=CN1CC1=CC=CC=C1Cl)C(C)CC,"InChI=1S/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3",ZILPIBYANAFGMS-UHFFFAOYSA-N
DB13354,673-31-4,Phenprobamate,experimental,,"['M03BA01', 'M03BA71', 'M03BA51']",,,,,2137,ZINC000001676954,CHEMBL1079576,66801,PHENPROBAMATE,31992,4770,NC(=O)OCCCC1=CC=CC=C1,"InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)",CAMYKONBWHRPDD-UHFFFAOYSA-N
DB13355,477-32-7,Visnadine,"['experimental', 'investigational']",,C04AX24,,,,,3649,ZINC000000608130,CHEMBL3989444,,VISNADINE,10001,442151,[H][C@@](C)(CC)C(=O)O[C@]1([H])[C@]([H])(OC(C)=O)C2=C(OC1(C)C)C=CC1=C2OC(=O)C=C1,"InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1",GVBNSPFBYXGREE-CXWAGAITSA-N
DB13356,135-58-0,Mesulfen,experimental,,"['D10AB05', 'P03AA03']",,29584,,,3343,ZINC000000001690,CHEMBL2106968,,,134995,667491,CC1=CC=C2SC3=CC(C)=CC=C3SC2=C1,"InChI=1S/C14H12S2/c1-9-3-5-11-13(7-9)15-12-6-4-10(2)8-14(12)16-11/h3-8H,1-2H3",AHXDSVSZEZHDLV-UHFFFAOYSA-N
DB13357,94-35-9,Styramate,experimental,,M03BA04,,89818,,,2485,,CHEMBL2104534,,,134820,7186,NC(=O)OCC(O)C1=CC=CC=C1,"InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)",OCSOHUROTFFTFO-UHFFFAOYSA-N
DB13358,53267-01-9,Cibenzoline,experimental,,C01BG07,,21099,,,630,,CHEMBL87045,50151856,CIFENLINE,135083,2747,C1C(C2=NCCN2)C1(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)",IPOBOOXFSRWSHL-UHFFFAOYSA-N
DB13359,7018-07-7,Magnesium aspartate,experimental,,A12CC05,,142131,,,,,,,,,138401598,O.O.O.O.[Mg++].N[C@@H](CC(O)=O)C([O-])=O.N[C@@H](CC(O)=O)C([O-])=O,"InChI=1S/2C4H7NO4.Mg.4H2O/c2*5-2(4(8)9)1-3(6)7;;;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;4*1H2/q;;+2;;;;/p-2/t2*2-;;;;;/m00...../s1",CRSJYWPXKKSOCQ-CBAPHJFVSA-L
DB13360,50838-36-3,Tolciclate,experimental,,D01AE19,,38372,,,3614,ZINC000002005627,,,,,92169693,CN(C(=S)OC1=CC=C2[C@H]3CC[C@H](C3)C2=C1)C1=CC(C)=CC=C1,"InChI=1S/C20H21NOS/c1-13-4-3-5-16(10-13)21(2)20(23)22-17-8-9-18-14-6-7-15(11-14)19(18)12-17/h3-5,8-10,12,14-15H,6-7,11H2,1-2H3/t14-,15+/m0/s1",CANCCLAKQQHLNK-LSDHHAIUSA-N
DB13361,13957-55-6,Trimethyldiphenylpropylamine,experimental,,A03AX30,,,,,4737,,CHEMBL3707363,,,136024,30966,CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)N(C)C,"InChI=1S/C18H23N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3",NSHMKXVHJBBKTN-UHFFFAOYSA-N
DB13362,90-49-3,Pheneturide,experimental,,N03AX13,D01190,,,,2125,,CHEMBL2107062,,,31989,72060,CCC(C(=O)NC(N)=O)C1=CC=CC=C1,"InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)",AJOQSQHYDOFIOX-UHFFFAOYSA-N
DB13363,33996-33-7,Oxaceprol,experimental,,"['D11AX09', 'M01AX24']",,28068,,,2005,ZINC000000154540,CHEMBL1407356,,,,65784,[H][C@]1(O)CN(C(C)=O)[C@@]([H])(C1)C(O)=O,"InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1",BAPRUDZDYCKSOQ-RITPCOANSA-N
DB13364,30748-29-9,Feprazone,experimental,,"['M01AX68', 'M02AA16', 'M01AX18']",,8673,,,1169,ZINC000100016068,CHEMBL1452696,50248306,DA-2370,31603,35455,CC(C)=CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3",RBBWCVQDXDFISW-UHFFFAOYSA-N
DB13365,11116-97-5,Calcium lactate gluconate,experimental,,A12AA06,,,,,,,,,,,,,,
DB13366,7647-01-0,Hydrochloric acid,experimental,,"['B05XA13', 'A09AB03']",D02057,5486,,,4568,,CHEMBL1231821,,HYDROCHLORIC ACID,17883,18348331,Cl,InChI=1S/ClH/h1H,VEXZGXHMUGYJMC-UHFFFAOYSA-N
DB13367,68206-94-0,Cloricromen,experimental,,B01AC02,,,,,713,ZINC000000576842,CHEMBL255066,,CLORICROMEN,135628,68876,CCOC(=O)COC1=CC=C2C(C)=C(CCN(CC)CC)C(=O)OC2=C1Cl,"InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3",GYNNRVJJLAVVTQ-UHFFFAOYSA-N
DB13368,56281-36-8,Motretinide,experimental,,D10AD05,,,,,1849,ZINC000003812940,CHEMBL519260,,,135490,6314185,CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C=C(OC)C(C)=C1C,"InChI=1S/C23H31NO2/c1-8-24-23(25)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(26-7)20(6)19(21)5/h9-15H,8H2,1-7H3,(H,24,25)/b11-9+,13-12+,16-10+,17-14+",IYIYMCASGKQOCZ-DJRRULDNSA-N
DB13369,16175-92-1,Benzilone,experimental,,A03AB01,,,,,320,,CHEMBL2110788,,,135496,66248,CC[N+]1(CC)CCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H28NO3/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20,25H,3-4,15-17H2,1-2H3/q+1",ZKCWITXZGWUJAV-UHFFFAOYSA-N
DB13370,496-67-3,Bromisoval,experimental,,N05CM03,,,,,3038,,CHEMBL1515611,,,77043,2447,CC(C)C(Br)C(=O)NC(N)=O,"InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)",CMCCHHWTTBEZNM-UHFFFAOYSA-N
DB13371,51484-40-3,Difenpiramide,experimental,,M01AB12,,,,,919,ZINC000000001293,CHEMBL1489662,97007,,76130,100472,O=C(CC1=CC=C(C=C1)C1=CC=CC=C1)NC1=CC=CC=N1,"InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)",PWHROYKAGRUWDQ-UHFFFAOYSA-N
DB13372,9005-35-0,Calcium alginate,"['experimental', 'approved']",,B02BC08,,47610,,,,,,,,,,,,
DB13373,65589-70-0,Acriflavine,experimental,,R02AA13,,249,,,,,CHEMBL2360628,,,,443101,[Cl-].NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=C1C=C(N)C=C2,"InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H",PEJLNXHANOHNSU-UHFFFAOYSA-N
DB13374,1617-90-9,Vincamine,experimental,6436861,C04AX07,,11201,,,3643,ZINC000001069082,CHEMBL1165342,,CETAL,9985,15376,[H][C@]12N3CCC[C@@]1(CC)C[C@@](O)(N1C4=CC=CC=C4C(CC3)=C21)C(=O)OC,"InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1",RXPRRQLKFXBCSJ-GIVPXCGWSA-N
DB13375,156586-89-9,Edrecolomab,"['experimental', 'investigational']",,L01XC01,,80726,,,,,,,,,,,,
DB13376,123-56-8,Succinimide,experimental,,G04BX10,,,,,4723,ZINC000005133396,CHEMBL275661,7814,SUCCINIMIDE,9307,11439,O=C1CCC(=O)N1,"InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)",KZNICNPSHKQLFF-UHFFFAOYSA-N
DB13377,125-42-8,Vinbarbital,experimental,,N05CA09,,89811,,,3849,ZINC000001707332,CHEMBL503565,,,,5284636,CC\C=C(/C)C1(CC)C(=O)NC(=O)NC1=O,"InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+",RAFOHKSPUDGZPR-VOTSOKGWSA-N
DB13378,536-21-0,Norfenefrine,experimental,,C01CA05,,31988,,,1966,,CHEMBL358040,,,134779,4538,NCC(O)C1=CC(O)=CC=C1,"InChI=1S/C8H11NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5,9H2",LRCXRAABFLIVAI-UHFFFAOYSA-N
DB13379,8002-90-2,Chiniofon,experimental,,P01AX01,,,,,,,CHEMBL2104146,,,,23673836,[Na+].OC([O-])=O.OC1=C(I)C=C(C2=CC=CN=C12)S(O)(=O)=O,"InChI=1S/C9H6INO4S.CH2O3.Na/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;2-1(3)4;/h1-4,12H,(H,13,14,15);(H2,2,3,4);/q;;+1/p-1",FNXKBSAUKFCXIK-UHFFFAOYSA-M
DB13380,80387-96-8,Difemerine,experimental,,A03AA09,,163406,,,877,ZINC000004215639,,,,,165124,CN(C)C(C)(C)COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H25NO3/c1-19(2,21(3)4)15-24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,23H,15H2,1-4H3",GUONSMXZEYTWML-UHFFFAOYSA-N
DB13381,15708-41-5,Sodium feredetate,approved,,B03AB03,D07145,105673,,,,,,,,78292,27461,[Na+].[O-]C(=O)C[N+]12CC[N+]34CC(=O)O[Fe--]13(OC(=O)C2)OC(=O)C4,"InChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+3;+1/p-4",MKWYFZFMAMBPQK-UHFFFAOYSA-J
DB13382,84-01-5,Chlorproethazine,experimental,,N05AA07,,59860,,,619,ZINC000000001135,CHEMBL52125,86724,,135464,65750,CCN(CC)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2,"InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3",DBOUGBAQLIXZLV-UHFFFAOYSA-N
DB13383,534-08-7,Diiodohydroxypropane,experimental,,D08AG04,,,,,4421,ZINC000005178438,CHEMBL3707258,,,135970,68295,OC(CI)CI,"InChI=1S/C3H6I2O/c4-1-3(6)2-5/h3,6H,1-2H2",DNKPFCQEGBJJTE-UHFFFAOYSA-N
DB13384,5118-29-6,Melitracen,"['experimental', 'investigational']",,"['N06CA02', 'N06AA14']",,446248,,,1675,ZINC000001482101,CHEMBL110094,112783,MELITRACEN,135214,25382,CN(C)CCC=C1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12,"InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3",GWWLWDURRGNSRS-UHFFFAOYSA-N
DB13385,,Dihydroergocryptine,experimental,,N04BC03,,3417,,,,,,,,,,,,
DB13386,7004-98-0,Epimestrol,experimental,,G03GB03,,,,,1026,ZINC000004215816,CHEMBL2106236,,,34738,244809,COC1=CC=C2[C@H]3CC[C@]4(C)[C@H](O)[C@H](O)C[C@H]4[C@@H]3CCC2=C1,"InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1",UHQGCIIQUZBJAE-RRQVMCLOSA-N
DB13387,15489-90-4,Hematin,experimental,,,,,,,,,,,,36161,,[OH-].[Fe+3].CC1=C2[N-]C(\C=C3/N=C(/C=C4\[N-]\C(=C/C5=N/C(=C\2)/C(C=C)=C5C)C(C=C)=C4C)C(C)=C3CCC(O)=O)=C1CCC(O)=O,"InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;",BMUDPLZKKRQECS-HXFTUNQESA-K
DB13388,55-68-5,Phenylmercuric nitrate,experimental,,D09AA04,,89722,,,4688,,,429353,,136021,9840857,[O-][N+](=O)O[Hg]C1=CC=CC=C1,InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1,PDTFCHSETJBPTR-UHFFFAOYSA-N
DB13389,5579-92-0,Iopydol,experimental,,V08AD02,,,,,4581,,CHEMBL2104393,,,136000,21751,OCC(O)CN1C=C(I)C(=O)C(I)=C1,"InChI=1S/C8H9I2NO3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4H2",TZADDXVKYWMEHX-UHFFFAOYSA-N
DB13391,1196-01-6,Levoverbenone,experimental,,R05CA11,,,,,4587,ZINC000000967601,CHEMBL2426701,,,78316,92874,[H][C@]12C[C@]([H])(C(=O)C=C1C)C2(C)C,"InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1",DCSCXTJOXBUFGB-JGVFFNPUSA-N
DB13392,129-16-8,Merbromin,experimental,,D08AK04,D00861,6762,,,,,,,,6763,9853537,[Na+].[Na+].O[Hg]C1=C([O-])C(Br)=CC2=C1OC1=CC(=O)C(Br)=CC1=C2C1=CC=CC=C1C([O-])=O,"InChI=1S/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;;;/h1-7,24H,(H,25,26);;;;1H2/q;3*+1;/p-3",SQFDQLBYJKFDDO-UHFFFAOYSA-K
DB13393,483-18-1,Emetine,experimental,,"['P01AX02', 'P01AX52']",,3820,,,1001,ZINC000003830747,CHEMBL50588,38871,,4781,10219,[H][C@]1(C[C@@]2([H])C[C@]3([H])N(CCC4=CC(OC)=C(OC)C=C34)C[C@]2([H])CC)NCCC2=CC(OC)=C(OC)C=C12,"InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1",AUVVAXYIELKVAI-CKBKHPSWSA-N
DB13394,99-45-6,Adrenalone,experimental,,"['B02BC05', 'A01AD06']",,17073,,,96,ZINC000034781660,CHEMBL2103996,94970,,134821,7436,CNCC(=O)C1=CC(O)=C(O)C=C1,"InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3",PZMVOUYYNKPMSI-UHFFFAOYSA-N
DB13395,32665-36-4,Eprozinol,experimental,,R03DX02,,24274,,,1038,,CHEMBL2107691,,,135497,122553,COC(CN1CCN(CCC(O)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C22H30N2O2/c1-26-22(20-10-6-3-7-11-20)18-24-16-14-23(15-17-24)13-12-21(25)19-8-4-2-5-9-19/h2-11,21-22,25H,12-18H2,1H3",QSRHLIUOSXVKTG-UHFFFAOYSA-N
DB13396,38964-88-4,Neocitrullamon,experimental,,N03AB03,,,,,5053,,CHEMBL3707389,,,134734,3084726,NC(CCCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O,"InChI=1S/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25)",PAJBBDCZSMDSFL-UHFFFAOYSA-N
DB13397,47543-65-7,Prenoxdiazine,experimental,,R05DB18,,,,,,ZINC000000538227,CHEMBL2105302,,PRENOXDIAZINE,135527,120508,C(CC1=NC(CC(C2=CC=CC=C2)C2=CC=CC=C2)=NO1)N1CCCCC1,"InChI=1S/C23H27N3O/c1-4-10-19(11-5-1)21(20-12-6-2-7-13-20)18-22-24-23(27-25-22)14-17-26-15-8-3-9-16-26/h1-2,4-7,10-13,21H,3,8-9,14-18H2",PXZDWASDNFWKSD-UHFFFAOYSA-N
DB13398,15687-41-9,Oxyfedrine,experimental,,"['C01DX53', 'C01DX03']",,7805,,,2030,ZINC000002018339,CHEMBL1651913,,,135343,5489013,COC1=CC(=CC=C1)C(=O)CCN[C@@H](C)[C@H](O)C1=CC=CC=C1,"InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/t14-,19-/m0/s1",GDYUVHBMFVMBAF-LIRRHRJNSA-N
DB13399,37686-84-3,Terguride,experimental,,G02CB06,D01348,,,,2601,ZINC000003811327,CHEMBL73151,50017519,,32193,443951,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CN2C)NC(=O)N(CC)CC,"InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1",JOAHPSVPXZTVEP-YXJHDRRASA-N
DB13400,33876-97-0,Linsidomine,experimental,,C01DX18,,,,,4589,,CHEMBL1189150,83470,,136004,5219,[NH-]C1=C[N+](=NO1)N1CCOCC1,"InChI=1S/C6H10N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5,7H,1-4H2",FKDHHVKWGRFRTG-UHFFFAOYSA-N
DB13401,30685-43-9,Metildigoxin,experimental,,C01AA08,,6686,,,1761,ZINC000254011770,CHEMBL1697843,,,135885,443946,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])C[C@@]([H])(O)[C@]12C)O[C@@]1([H])C[C@]([H])(O)[C@]([H])(O[C@@]2([H])C[C@]([H])(O)[C@]([H])(O[C@@]3([H])C[C@]([H])(O)[C@]([H])(OC)[C@@]([H])(C)O3)[C@@]([H])(C)O2)[C@@]([H])(C)O1)C1=CC(=O)OC1,"InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1",IYJMSDVSVHDVGT-PEQKVOOWSA-N
DB13402,17427-14-4,Acetylglycinamide chloral hydrate,experimental,,N05CC03,,,,,,,,,,,71587019,OC(O)C(Cl)(Cl)Cl.CC(=O)NCC(O)=O,"InChI=1S/C4H7NO3.C2H3Cl3O2/c1-3(6)5-2-4(7)8;3-2(4,5)1(6)7/h2H2,1H3,(H,5,6)(H,7,8);1,6-7H",SULCNWZLMZPENK-UHFFFAOYSA-N
DB13403,153-87-7,Oxypertine,experimental,,N05AE01,,7815,,,2035,ZINC000000538144,CHEMBL2107011,,,31952,4640,COC1=C(OC)C=C2C(NC(C)=C2CCN2CCN(CC2)C2=CC=CC=C2)=C1,"InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3",XCWPUUGSGHNIDZ-UHFFFAOYSA-N
DB13404,64-02-8,Edetate sodium,experimental,,S01XA05,,,,,,,CHEMBL2104344,,EDETATE SODIUM,,59970247,[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O,"InChI=1S/C10H16N2O8.4Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/p-4",UEUXEKPTXMALOB-UHFFFAOYSA-J
DB13405,7195-27-9,Mefruside,experimental,,"['C03BB05', 'C03BA05']",,6696,,,1666,,CHEMBL2105131,,,31809,4047,CN(CC1(C)CCCO1)S(=O)(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,"InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)",SMNOERSLNYGGOU-UHFFFAOYSA-N
DB13406,339-43-5,Carbutamide,experimental,,A10BB06,,2068,,,505,ZINC000001764156,CHEMBL448570,,,135118,9564,CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)",VDTNNGKXZGSZIP-UHFFFAOYSA-N
DB13407,2139-47-1,Nifenazone,experimental,,"['N02BB05', 'M02AA24']",,,,,1924,ZINC000000057417,CHEMBL1413176,,,31910,4487,CN1N(C(=O)C(NC(=O)C2=CC=CN=C2)=C1C)C1=CC=CC=C1,"InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)",BRZANEXCSZCZCI-UHFFFAOYSA-N
DB13408,10605-24-0,Methylpropylpropanediol dinitrate,experimental,,"['C01DA04', 'C01DA54']",,,,,,,,,,,25430,CCCC(C)(CO[N+]([O-])=O)CO[N+]([O-])=O,"InChI=1S/C7H14N2O6/c1-3-4-7(2,5-14-8(10)11)6-15-9(12)13/h3-6H2,1-2H3",BLJBDLGFKNXUCB-UHFFFAOYSA-N
DB13409,74014-51-0,Rokitamycin,experimental,,J01FA12,,,,,2398,ZINC000169676935,CHEMBL1908350,,,32103,5282211,CCCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C,"InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1",VYWWNRMSAPEJLS-MDWYKHENSA-N
DB13410,24047-25-4,Guanoxabenz,experimental,,C02CC07,,,,,1345,ZINC000005784328,CHEMBL461343,,,,10060509,ONC(=N)N\N=C\C1=C(Cl)C=CC=C1Cl,"InChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+",QKIQJNNDIWGVEH-UUILKARUSA-N
DB13411,23047-25-8,Lofepramine,experimental,,N06AA07,,6465,,,1592,ZINC000001542929,CHEMBL87708,82437,,47782,3947,CN(CCCN1C2=CC=CC=C2CCC2=CC=CC=C12)CC(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3",SAPNXPWPAUFAJU-UHFFFAOYSA-N
DB13412,33605-94-6,Pirisudanol,experimental,,N06BX08,,35097,,,2205,,CHEMBL2104859,,,135442,65782,CN(C)CCOC(=O)CCC(=O)OCC1=C(CO)C(O)=C(C)N=C1,"InChI=1S/C16H24N2O6/c1-11-16(22)13(9-19)12(8-17-11)10-24-15(21)5-4-14(20)23-7-6-18(2)3/h8,19,22H,4-7,9-10H2,1-3H3",KTOAWCPDBUCJED-UHFFFAOYSA-N
DB13413,1156-05-4,Phenglutarimide,experimental,,N04AA09,,,,,2127,,CHEMBL1096643,,,135195,102669,CCN(CC)CCC1(CCC(=O)NC1=O)C1=CC=CC=C1,"InChI=1S/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)",BFMBKRQFMIILCH-UHFFFAOYSA-N
DB13414,553-69-5,Fenyramidol,experimental,,M03BX30,,,,,2151,,CHEMBL1697767,235694,PHENYRAMIDOL,134888,9470,OC(CNC1=NC=CC=C1)C1=CC=CC=C1,"InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)",ZEAJXCPGHPJVNP-UHFFFAOYSA-N
DB13415,54-95-5,Pentetrazol,experimental,,"['R07AB53', 'R07AB03']",,8015,,,3428,ZINC000000001905,CHEMBL116943,50240031,CARDIAZOL,34910,5917,C1CCN2N=NN=C2CC1,InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2,CWRVKFFCRWGWCS-UHFFFAOYSA-N
DB13416,3286-46-2,Sulbutiamine,experimental,"['10996447', '12973384', '4059305']",A11DA02,,37317,,,2494,ZINC000072135087,CHEMBL1874002,,,31290,3002120,CC(C)C(=O)OCC\C(SS\C(CCOC(=O)C(C)C)=C(/C)N(CC1=C(N)N=C(C)N=C1)C=O)=C(\C)N(CC1=C(N)N=C(C)N=C1)C=O,"InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+",CKHJPWQVLKHBIH-GPAWKIAZSA-N
DB13417,952-54-5,Morinamide,experimental,,J04AK04,,,,,1843,ZINC000021673450,CHEMBL1697759,,,134914,70374,O=C(NCN1CCOCC1)C1=NC=CN=C1,"InChI=1S/C10H14N4O2/c15-10(9-7-11-1-2-12-9)13-8-14-3-5-16-6-4-14/h1-2,7H,3-6,8H2,(H,13,15)",GVTLAVKAVSKBKK-UHFFFAOYSA-N
DB13418,34816-55-2,Moxestrol,experimental,,G03CB04,,,,,3366,ZINC000003815417,CHEMBL1628161,50218560,,34857,11954041,CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(O)=CC=C3[C@@H]12,"InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1",MTMZZIPTQITGCY-OLGWUGKESA-N
DB13419,30751-05-4,Troxipide,experimental,,A02BX11,,,,,2779,,CHEMBL1566956,,,32271,5597,COC1=CC(=CC(OC)=C1OC)C(=O)NC1CCCNC1,"InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)",YSIITVVESCNIPR-UHFFFAOYSA-N
DB13420,2338-21-8,Thiazinam,experimental,,R06AD06,,,,,2628,,CHEMBL2111135,,,135268,6016,CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)[N+](C)(C)C,"InChI=1S/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1",CDXCCYNINPIWGE-UHFFFAOYSA-N
DB13421,15176-29-1,Edoxudine,"['withdrawn', 'approved', 'investigational']","['7710272', '4037770', '2822705', '8185676', '15621867']",D06BB09,,49428,,,3173,ZINC000003956771,CHEMBL318153,50132292,,135051,66377,CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,"InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1",XACKNLSZYYIACO-DJLDLDEBSA-N
DB13422,15351-13-0,Nicofuranose,experimental,,C10AD03,,104486,,,1916,ZINC000004217093,CHEMBL1697844,,,135846,25495,[H][C@]1(COC(=O)C2=CN=CC=C2)O[C@](O)(COC(=O)C2=CN=CC=C2)[C@@]([H])(OC(=O)C2=CN=CC=C2)[C@]1([H])OC(=O)C1=CN=CC=C1,"InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1",FUWFSXZKBMCSKF-ZASNTINBSA-N
DB13423,1309-33-7,Ferric hydroxide,experimental,,B03AB04,,1428835,,,4539,,,,,135985,73964,[OH-].[OH-].[OH-].[Fe+3],InChI=1S/Fe.3H2O/h;3*1H2/q+3;;;/p-3,MSNWSDPPULHLDL-UHFFFAOYSA-K
DB13424,50-29-3,Clofenotane,experimental,,"['P03AB51', 'P03AB01']",,,,6WT,4396,ZINC000001530011,CHEMBL416898,50410508,,16130,3036,ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl,"InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H",YVGGHNCTFXOJCH-UHFFFAOYSA-N
DB13425,119006-77-8,Flutrimazole,experimental,,"['G01AF18', 'D01AC16']",,61773,,,1227,,CHEMBL2107430,50436201,,82864,3401,FC1=CC=C(C=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1F,"InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H",QHMWCHQXCUNUAK-UHFFFAOYSA-N
DB13427,10043-49-9,Gold Au-198,experimental,,V10AX06,,,,,,,,,,,66274,[198Au],InChI=1S/Au/i1+1,PCHJSUWPFVWCPO-OUBTZVSYSA-N
DB13428,3115-05-7,Iobenzamic acid,experimental,,V08AC05,,,,,3759,ZINC000004216580,CHEMBL2106317,,,31700,18377,NC1=C(I)C=C(I)C(C(=O)N(CCC(O)=O)C2=CC=CC=C2)=C1I,"InChI=1S/C16H13I3N2O3/c17-10-8-11(18)15(20)14(19)13(10)16(24)21(7-6-12(22)23)9-4-2-1-3-5-9/h1-5,8H,6-7,20H2,(H,22,23)",FJYJNLIEGUTPIJ-UHFFFAOYSA-N
DB13429,4201-22-3,Tolonidine,experimental,,C02AC04,,,,,2700,ZINC000000002193,CHEMBL304253,,,134879,72138,CC1=CC=C(NC2=NCCN2)C(Cl)=C1,"InChI=1S/C10H12ClN3/c1-7-2-3-9(8(11)6-7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)",KWBTZIFLQYYPTH-UHFFFAOYSA-N
DB13430,3568-00-1,Mebutizide,experimental,,"['C03EA05', 'C03AA13']",,,,,1645,,CHEMBL2105212,,,135597,71652,CCC(C)C(C)C1NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O,"InChI=1S/C13H20ClN3O4S2/c1-4-7(2)8(3)13-16-10-5-9(14)11(22(15,18)19)6-12(10)23(20,21)17-13/h5-8,13,16-17H,4H2,1-3H3,(H2,15,18,19)",KJLLKLRVCJAFRY-UHFFFAOYSA-N
DB13431,6620-60-6,Proglumide,experimental,,A02BX06,,8730,,,2281,,CHEMBL316561,50014888,MILID,76266,4922,CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)C1=CC=CC=C1,"InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)",DGMKFQYCZXERLX-UHFFFAOYSA-N
DB13432,53808-88-1,Lonazolac,experimental,,M01AB09,,28876,,,1597,ZINC000000001631,CHEMBL1334692,,,76164,68706,OC(=O)CC1=CN(N=C1C1=CC=C(Cl)C=C1)C1=CC=CC=C1,"InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)",XVUQHFRQHBLHQD-UHFFFAOYSA-N
DB13433,14929-11-4,Simfibrate,experimental,,C10AB06,,,,,2444,ZINC000003874963,CHEMBL2105435,,,32131,5217,CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1,"InChI=1S/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3",JLRNKCZRCMIVKA-UHFFFAOYSA-N
DB13434,72479-26-6,Fenticonazole,experimental,,"['D01AC12', 'G01AF12']",,24876,,,1166,,CHEMBL1651990,,FENTICONAZOLE NITRATE,83602,51755,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CC=C(SC2=CC=CC=C2)C=C1,"InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2",ZCJYUTQZBAIHBS-UHFFFAOYSA-N
DB13435,39715-02-1,Endralazine,experimental,,C02DB03,,,,,1008,ZINC000011679779,CHEMBL254193,,,135105,47608,N\N=C1/NN=C2CCN(CC2=C1)C(=O)C1=CC=CC=C1,"InChI=1S/C14H15N5O/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10/h1-5,8H,6-7,9,15H2,(H,16,18)",ALAXZYHFVBSJKZ-UHFFFAOYSA-N
DB13436,15599-26-5,Droxypropine,experimental,,R05DB17,,,,,4464,,CHEMBL2105053,,,135979,208903,CCC(=O)C1(CCN(CCOCCO)CC1)C1=CC=CC=C1,"InChI=1S/C18H27NO3/c1-2-17(21)18(16-6-4-3-5-7-16)8-10-19(11-9-18)12-14-22-15-13-20/h3-7,20H,2,8-15H2,1H3",FVYYUBRKVVOOAV-UHFFFAOYSA-N
DB13437,2898-12-6,Medazepam,experimental,,N05BA03,,6680,,,1654,ZINC000000001659,CHEMBL28333,50021058,RO 5-4556,31807,4041,CN1CCN=C(C2=CC=CC=C2)C2=C1C=CC(Cl)=C2,"InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3",YLCXGBZIZBEVPZ-UHFFFAOYSA-N
DB13438,493-92-5,Prolintane,experimental,,N06BX14,,34604,,,2283,,CHEMBL2111047,,,134898,14592,CCCC(CC1=CC=CC=C1)N1CCCC1,"InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3",OJCPSBCUMRIPFL-UHFFFAOYSA-N
DB13439,3540-95-2,Fenpiprane,experimental,,A03AX01,,,,,1159,ZINC000001482064,CHEMBL49943,,,135159,197785,C(CN1CCCCC1)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H25N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2",JXJPYHDHJZJWRI-UHFFFAOYSA-N
DB13441,5868-05-3,Niceritrol,experimental,,C10AD01,,,,,1911,ZINC000003831199,CHEMBL1697762,,,31903,4476,O=C(OCC(COC(=O)C1=CN=CC=C1)(COC(=O)C1=CN=CC=C1)COC(=O)C1=CN=CC=C1)C1=CN=CC=C1,"InChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2",KUEUWHJGRZKESU-UHFFFAOYSA-N
DB13442,1195-16-0,Citiolone,experimental,,A05BA04,,21171,,,665,,CHEMBL2104457,,,94403,14520,CC(=O)NC1CCSC1=O,"InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)",NRFJZTXWLKPZAV-UHFFFAOYSA-N
DB13443,93379-54-5,Esatenolol,experimental,,C07AB11,D01471,,,,4702,ZINC000000113415,CHEMBL343633,,,31556,175540,CC(C)NC[C@H](O)COC1=CC=C(CC(N)=O)C=C1,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1",METKIMKYRPQLGS-LBPRGKRZSA-N
DB13444,28179-44-4,Ioxitalamic acid,approved,"['23210836', '23406968', '19945959']",V08AA05,D07418,,,,4582,ZINC000004216615,CHEMBL2107239,,IOXITALAMIC ACID,83517,34536,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C1I,"InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)",OLAOYPRJVHUHCF-UHFFFAOYSA-N
DB13445,22443-11-4,Nepinalone,experimental,,R05DB26,,,,,1900,,CHEMBL2105148,,,135121,3047788,CC1(CCN2CCCCC2)C(=O)CCC2=CC=CC=C12,"InChI=1S/C18H25NO/c1-18(11-14-19-12-5-2-6-13-19)16-8-4-3-7-15(16)9-10-17(18)20/h3-4,7-8H,2,5-6,9-14H2,1H3",RVXGRCNWGOHSDE-UHFFFAOYSA-N
DB13446,9000-30-0,Guar gum,experimental,,A10BX01,,26344,,,,,,,,,,,,
DB13447,8015-51-8,Prethcamide,experimental,,R07AB06,,,,,,,,,,,,,,
DB13448,42024-98-6,Mazaticol,experimental,,N04AA10,,,,,1639,ZINC000100521081,,,,,118984411,CN1[C@@H]2CCC(C)(C)[C@@H]1C[C@@H](C2)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1,"InChI=1S/C21H27NO3S2/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3/t14-,15-,16+/m1/s1",AMHPTVWBZSYFSS-OAGGEKHMSA-N
DB13449,603-00-9,Proxyphylline,experimental,,"['R03DA03', 'R03DB03']",,34906,,,2323,,CHEMBL37390,50028190,SPASMOLYSIN,32070,4977,CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3",KYHQZNGJUGFTGR-UHFFFAOYSA-N
DB13451,22619-35-8,Tioclomarol,experimental,,B01AA11,,163426,,,2674,,CHEMBL2105401,,,135730,54708299,OC(CC(C1=CC=C(Cl)S1)C1=C(O)C2=CC=CC=C2OC1=O)C1=CC=C(Cl)C=C1,"InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2",WRGOVNKNTPWHLZ-UHFFFAOYSA-N
DB13452,64241-34-5,Cadralazine,experimental,,C02DB04,D01804,,,,461,,CHEMBL2106561,,,31331,2515,CCOC(=O)NNC1=NN=C(C=C1)N(CC)CC(C)O,"InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)",QLTVVOATEHFXLT-UHFFFAOYSA-N
DB13453,7440-63-3,Xenon,experimental,,N01AX15,,11363,,XE,4369,,CHEMBL1236802,,XENON XE-133,49957,23991,[Xe],InChI=1S/Xe,FHNFHKCVQCLJFQ-UHFFFAOYSA-N
DB13454,639-48-5,Nicomorphine,experimental,,N02AA04,,,,,1918,ZINC000004217095,CHEMBL2106851,,,135797,5362460,[H][C@@]12OC3=C(OC(=O)C4=CN=CC=C4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])OC(=O)C1=CN=CC=C1,"InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1",HNDXBGYRMHRUFN-CIVUWBIHSA-N
DB13455,1078-21-3,Phenibut,experimental,,N06BX22,,,,,4863,,CHEMBL315818,,,136039,14113,NCC(CC(O)=O)C1=CC=CC=C1,"InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",DAFOCGYVTAOKAJ-UHFFFAOYSA-N
DB13456,35457-80-8,Midecamycin,experimental,"['7154248', '2656049', '11531981', '6639001', '6982352']",J01FA03,D01339,30005,,,1861,ZINC000169368401,CHEMBL444963,,,31845,5282169,[H][C@@]1(C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O1)O[C@@H]1[C@@H](C)O[C@@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@]([H])(OC(=O)CC)[C@@H]2OC)[C@H](O)[C@H]1N(C)C,"InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1",DMUAPQTXSSNEDD-QALJCMCCSA-N
DB13457,26629-87-8,Oxaflozane,experimental,,N06AX10,,,,,2007,,CHEMBL2106996,,,135128,432824,CC(C)N1CCOC(C1)C1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3",FVYUQFQCEOZYHZ-UHFFFAOYSA-N
DB13458,466-90-0,Thebacon,experimental,,R05DA10,,,,,3144,,CHEMBL2104751,,,135449,11508377,COC1=CC=C2C[C@@H]3[C@@H]4CC=C(OC(C)=O)[C@@H]5OC1=C2[C@]45CCN3C,"InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6-7,13-14,19H,5,8-10H2,1-3H3/t13-,14+,19-,20-/m0/s1",RRJQTGHQFYTZOW-ILWKUFEGSA-N
DB13459,19504-77-9,Pecilocin,experimental,,D01AA04,,,,,3419,ZINC000004214101,CHEMBL486174,50448688,,32289,5282176,CCCC[C@@H](O)\C=C(/C)\C=C\C=C\C(=O)N1CCCC1=O,"InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1",ZYPGADGCNXOUJP-CXVPHVKISA-N
DB13460,42597-57-9,Ronifibrate,experimental,,C10AB07,,,,,2401,ZINC000001846400,CHEMBL153983,,,135588,68671,CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCCOC(=O)C1=CN=CC=C1,"InChI=1S/C19H20ClNO5/c1-19(2,26-16-8-6-15(20)7-9-16)18(23)25-12-4-11-24-17(22)14-5-3-10-21-13-14/h3,5-10,13H,4,11-12H2,1-2H3",AYJVGKWCGIYEAK-UHFFFAOYSA-N
DB13461,135889-00-8,Cefcapene,experimental,,J01DD17,,,,,4159,ZINC000004215231,CHEMBL582912,,,131729,6436055,CC\C=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1,"InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1",HJJRIJDTIPFROI-NVKITGPLSA-N
DB13462,7181-73-9,Bephenium,experimental,,P02CX02,,,,,340,ZINC000000001023,CHEMBL1788404,,,135055,19667,C[N+](C)(CCOC1=CC=CC=C1)CC1=CC=CC=C1,"InChI=1S/C17H22NO/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1",AVWWVJUMXRXPNF-UHFFFAOYSA-N
DB13463,26020-55-3,Oxetorone,experimental,,N02CX06,,32633,,,2019,,CHEMBL3989752,,OXETORONE FUMARATE,135364,36846,CN(C)CCC=C1C2=C(COC3=CC=CC=C13)C1=CC=CC=C1O2,"InChI=1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3",VZVRZTZPHOHSCK-UHFFFAOYSA-N
DB13464,3397-23-7,Ornipressin,experimental,,H01BA05,,7703,,,4679,,,,,,,NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,"InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",MUNMIGOEDGHVLE-LGYYRGKSSA-N
DB13465,31431-43-3,Ciclobendazole,experimental,,P02CA04,,,,,3120,ZINC000005387001,CHEMBL1788401,97356,,135067,35803,COC(=O)NC1=NC2=C(N1)C=CC(=C2)C(=O)C1CC1,"InChI=1S/C13H13N3O3/c1-19-13(18)16-12-14-9-5-4-8(6-10(9)15-12)11(17)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15,16,18)",OXLKOMYHDYVIDM-UHFFFAOYSA-N
DB13466,604-51-3,Deptropine,experimental,,R06AX16,,,,,808,ZINC000100079325,CHEMBL1946186,50419751,,50189,,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1C2=CC=CC=C2CCC2=C1C=CC=C2,"InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20+",ZWPODSUQWXAZNC-PMOLBWCYSA-N
DB13467,17575-22-3,Lanatoside C,experimental,,C01AA06,,27929,,,1543,ZINC000253387889,CHEMBL506569,430643,,,656630,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])C[C@@]([H])(O)[C@]12C)O[C@@]1([H])C[C@]([H])(O)[C@]([H])(O[C@@]2([H])C[C@]([H])(O)[C@]([H])(O[C@@]3([H])C[C@]([H])(OC(C)=O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]([H])(C)O3)[C@@]([H])(C)O2)[C@@]([H])(C)O1)C1=CC(=O)OC1,"InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1",JAYAGJDXJIDEKI-PTGWOZRBSA-N
DB13468,524-83-4,Etybenzatropine,experimental,,N04AC30,,1358000,,,4423,ZINC000100203405,CHEMBL2104273,,,135972,,CCN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H27NO/c1-2-23-19-13-14-20(23)16-21(15-19)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-22H,2,13-16H2,1H3/t19-,20+,21+",PHTMLLGDZBZXMW-AERCQKQUSA-N
DB13469,84-12-8,Phanquinone,experimental,,P01AX04,,,,,3433,ZINC000002041224,CHEMBL531048,,,59141,6764,O=C1C(=O)C2=C(C=CC=N2)C2=C1N=CC=C2,InChI=1S/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H,VLPADTBFADIFKG-UHFFFAOYSA-N
DB13470,69739-16-8,Cefodizime,experimental,,J01DD09,D07643,20485,,,541,ZINC000003830421,CHEMBL2303613,50422690,,63214,5361871,[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1",XDZKBRJLTGRPSS-BGZQYGJUSA-N
DB13471,152657-84-6,Nalfurafine,"['experimental', 'investigational']",,V03AX02,,,,,4673,ZINC000004393014,CHEMBL267495,50325534,NALFURAFINE,136019,6445230,CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CC2)[C@H]1O5)C(=O)\C=C\C1=COC=C1,"InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1",XGZZHZMWIXFATA-UEZBDDGYSA-N
DB13472,2624-43-3,Cyclofenil,experimental,,G03GB01,,2983,,,753,ZINC000000608288,CHEMBL141305,50523931,,31446,2898,CC(=O)OC1=CC=C(C=C1)C(=C1CCCCC1)C1=CC=C(OC(C)=O)C=C1,"InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3",GVOUFPWUYJWQSK-UHFFFAOYSA-N
DB13473,1315-04-4,Antimony pentasulfide,experimental,,R05CA07,,1337969,,,4838,,,,,,90478371,[S--].[S--].[S--].[S--].[S--].[Sb+5].[Sb+5],InChI=1S/5S.2Sb/q5*-2;2*+5,KVJGAZVYRDRVHS-UHFFFAOYSA-N
DB13474,5169-78-8,Tipepidine,experimental,,R05DB24,,,,,253,ZINC000055161150,CHEMBL1899506,,TIPEPIDINE,135141,5484,CN1CCCC(C1)=C(C1=CC=CS1)C1=CC=CS1,"InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3",JWIXXNLOKOAAQT-UHFFFAOYSA-N
DB13475,1672-88-4,Furazidin,experimental,,J01XE03,,,,,4869,ZINC000006093527,CHEMBL3707254,,,,6870646,[O-][N+](=O)C1=CC=C(O1)\C=C\C=N\N1CC(=O)NC1=O,"InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)/b2-1+,11-5+",DECBQELQORZLLP-UAIOPKHMSA-N
DB13476,5966-41-6,Diisopromine,experimental,,A03AX02,,236206,,,892,ZINC000001481784,CHEMBL2110849,,,135245,22262,CC(C)N(CCC(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C,"InChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3",YBJKOPHEJOMRMN-UHFFFAOYSA-N
DB13477,25053-27-4,Sodium apolate,experimental,,C05BA02,,52259,,,,,,,,,,,,
DB13478,54340-58-8,Meptazinol,experimental,,N02AX05,,6761,,,1706,,CHEMBL314437,50373116,,91484,41049,CCC1(CCCCN(C)C1)C1=CC(O)=CC=C1,"InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3",JLICHNCFTLFZJN-UHFFFAOYSA-N
DB13479,493-80-1,Histapyrrodine,experimental,,"['R06AC52', 'R06AC02']",,,,,1376,ZINC000000001534,CHEMBL2105039,,,135164,68122,C(CN1CCCC1)N(CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2",MXHODDGKGSGCDI-UHFFFAOYSA-N
DB13480,37339-90-5,Lentinan,"['experimental', 'investigational']",,L03AX01,,,,,,,,,,,,,,
DB13481,120210-48-2,Tenidap,experimental,,M01AX23,,,,,4728,ZINC000100001953,CHEMBL1908355,50472604,,35847,,NC(=O)N1C(=O)\C(=C(/O)C2=CC=CS2)C2=C1C=CC(Cl)=C2,"InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,18H,(H2,16,20)/b12-11-",LXIKEPCNDFVJKC-QXMHVHEDSA-N
DB13482,1165-48-6,Dimefline,experimental,,R07AB08,,,,,899,ZINC000000000223,CHEMBL519364,,,135374,3078,COC1=CC=C2C(=O)C(C)=C(OC2=C1CN(C)C)C1=CC=CC=C1,"InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3",ZXFQRFXLFWWKLX-UHFFFAOYSA-N
DB13483,2624-44-4,Etamsylate,experimental,16772766,B02BX01,,4112,,,,,CHEMBL1514715,,,31563,17506,CCNCC.OC1=CC(=C(O)C=C1)S(O)(=O)=O,"InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3",HBGOLJKPSFNJSD-UHFFFAOYSA-N
DB13484,2487-63-0,Quinbolone,experimental,,A14AA06,,,,,3823,ZINC000004217390,CHEMBL2106999,,,135488,10360683,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC1=CCCC1,"InChI=1S/C24H32O2/c1-23-13-11-17(25)15-16(23)7-8-19-20-9-10-22(26-18-5-3-4-6-18)24(20,2)14-12-21(19)23/h5,11,13,15,19-22H,3-4,6-10,12,14H2,1-2H3/t19-,20-,21-,22-,23-,24-/m0/s1",IUVKMZGDUIUOCP-BTNSXGMBSA-N
DB13485,3772-76-7,Sulfametomidine,experimental,,J01ED03,,,,,2513,ZINC000000002098,CHEMBL485940,,,32163,19596,COC1=NC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1,"InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)",QKLSCPPJEVXONT-UHFFFAOYSA-N
DB13486,14452-57-4,Magnesium peroxide,experimental,,"['A02AA03', 'A06AD03']",,1666106,,,4595,,CHEMBL3707298,,,81304,61745,[Mg++].[O-][O-],InChI=1S/Mg.O2/c;1-2/q+2;-2,SPAGIJMPHSUYSE-UHFFFAOYSA-N
DB13487,56897-09-7,Iodine (131I) norcholesterol,experimental,,V09XA01,,,,,,ZINC000118913163,CHEMBL2106905,,,34893,656666,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C[131I])C4=C(CC[C@H](O)C4)[C@H]3CC[C@]12C,"InChI=1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+4",QJHZPCLORSPENH-DRTKWHMQSA-N
DB13488,2179-37-5,Bencyclane,experimental,,C04AX11,,1367,,,301,ZINC000001999382,CHEMBL2110767,,,135205,2312,CN(C)CCCOC1(CC2=CC=CC=C2)CCCCCC1,"InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3",FYJJXENSONZJRG-UHFFFAOYSA-N
DB13489,4945-47-5,Bamipine,experimental,,"['R06AX01', 'D04AA15']",,18753,,,288,ZINC000000000987,CHEMBL520400,,,135165,72075,CN1CCC(CC1)N(CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3",VZSXTYKGYWISGQ-UHFFFAOYSA-N
DB13490,115960-14-0,Hidrosmin,experimental,,C05CA05,,,,,3956,ZINC000095842563,CHEMBL3707286,,,135840,3087722,COC1=CC=C(C=C1O)C1=CC(=O)C2=C(OCCO)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1,"InChI=1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-19(41-6-5-31)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)15(32)7-13/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3/t12-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1",XYFLWVOTXWXNAM-WTNNCJBMSA-N
DB13491,3841-11-0,Fluperolone,experimental,,D07AB05,,,,,,,,,,,56841872,C[C@H](O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,"InChI=1S/C22H29FO5/c1-12(24)18(27)21(28)9-7-15-16-5-4-13-10-14(25)6-8-19(13,2)22(16,23)17(26)11-20(15,21)3/h6,8,10,12,15-17,24,26,28H,4-5,7,9,11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",SLVCCRYLKTYUQP-DVTGEIKXSA-N
DB13492,101418-00-2,Policresulen,"['experimental', 'investigational']",,"['D08AE02', 'G01AX03']",,54908,,,,,,,,,,,,
DB13493,512-16-3,Cyclobutyrol,experimental,,A05AX03,,21954,,,752,,CHEMBL1697739,,,61024,72065,CCC(C(O)=O)C1(O)CCCCC1,"InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12)",NIVFTEMPSCMWDE-UHFFFAOYSA-N
DB13494,22950-29-4,Dimetofrine,experimental,,C01CA12,,,,,909,,CHEMBL2105040,,DIMETOFRINE,134932,31513,CNCC(O)C1=CC(OC)=C(O)C(OC)=C1,"InChI=1S/C11H17NO4/c1-12-6-8(13)7-4-9(15-2)11(14)10(5-7)16-3/h4-5,8,12-14H,6H2,1-3H3",ZKGDBJAHIIXDDW-UHFFFAOYSA-N
DB13495,311-45-5,Paraoxon,experimental,,S01EB10,,,,,4683,ZINC000001530487,CHEMBL23838,50240416,PARAOXON,27827,9395,CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",WYMSBXTXOHUIGT-UHFFFAOYSA-N
DB13496,5560-72-5,Iprindole,experimental,,N06AA13,,5979,,,1478,ZINC000000001576,CHEMBL126224,81448,,135177,21722,CN(C)CCCN1C2=C(CCCCCC2)C2=CC=CC=C12,"InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3",PLIGPBGDXASWPX-UHFFFAOYSA-N
DB13497,16376-74-2,Valethamate,experimental,,A03AX14,,,,,2800,,CHEMBL2111176,,,135303,5648,CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1,"InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1",UPPMZCXMQRVMME-UHFFFAOYSA-N
DB13499,62587-73-9,Cefsulodin,experimental,,J01DD03,,2190,,,558,,CHEMBL3351077,50282169,,3507,57514697,NC(=O)C1=CC=[N+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](C2=CC=CC=C2)S(O)(=O)=O)C3=O)C([O-])=O)C=C1,"InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1",SYLKGLMBLAAGSC-QLVMHMETSA-N
DB13500,105360-89-2,Otilonium,"['experimental', 'investigational']","['10689627', '29732965']","['A03AB06', 'A03CA04']",,32311,,,,ZINC000008214636,CHEMBL1433361,,OTILONIUM,135780,72093,CCCCCCCCOC1=CC=CC=C1C(=O)NC1=CC=C(C=C1)C(=O)OCC[N+](C)(CC)CC,"InChI=1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1",NQHNLNLJPDMBFN-UHFFFAOYSA-O
DB13501,20187-55-7,Bendazac,"['withdrawn', 'approved']","['8658045', '24464804', '7644786', '3197747', '3409993', '15103205', '2190795', '15990888']","['S01BC07', 'M02AA11']",,,,,303,ZINC000000001000,CHEMBL1089221,,,31257,2313,OC(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12,"InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)",BYFMCKSPFYVMOU-UHFFFAOYSA-N
DB13502,57982-78-2,Budipine,experimental,,N04BX03,,19832,,,420,ZINC000001481990,CHEMBL334491,50062600,,135228,68778,CC(C)(C)N1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3",QIHLUZAFSSMXHQ-UHFFFAOYSA-N
DB13503,1404-88-2,Tyrothricin,approved,"['5257018', '11342149', '24530898', '27455547', '9618340', '22911866', '14584933', '23963303', '25985581', '8863420']","['S01AA05', 'R02AB02', 'D06AX08']",,10968,,,,,,,,,,,,
DB13504,65052-63-3,Cefetamet,experimental,,J01DD10,D03424,20482,,,3074,ZINC000004215237,CHEMBL2103764,,RO 15-8074,135629,5487888,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,"InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",MQLRYUCJDNBWMV-GHXIOONMSA-N
DB13505,27892-33-7,Emepronium,experimental,,"['N05CX05', 'A03CA30', 'G04BD01']",,3816,,,1000,,CHEMBL2110805,,,135169,34055,CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1",JEJBJBKVPOWOQK-UHFFFAOYSA-N
DB13506,27025-49-6,Carfecillin,experimental,,G01AA08,,,,,507,,CHEMBL1095283,,,3414,33672,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)OC3=CC=CC=C3)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O,"InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1",NZDASSHFKWDBBU-KVMCETHSSA-N
DB13507,596-50-9,Poldine,experimental,,A03AB11,,33926,,,2226,,CHEMBL2110948,,,135443,11018,C[N+]1(C)CCCC1COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1",CQRKVVAGMJJJSR-UHFFFAOYSA-N
DB13508,39563-28-5,Cloranolol,experimental,,C07AA27,,,,,710,,CHEMBL156791,,,135217,65814,CC(C)(C)NCC(O)COC1=CC(Cl)=CC=C1Cl,"InChI=1S/C13H19Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3",XYCMOTOFHFTUIU-UHFFFAOYSA-N
DB13509,9014-67-9,Aloxiprin,experimental,,"['B01AC15', 'N02BA02']",,17393,,,,,,,,,71586929,[O--].[O--].[O--].[Al+3].[Al+3].CC(=O)OC1=CC=CC=C1C(O)=O,"InChI=1S/C9H8O4.2Al.3O/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;;;;;/h2-5H,1H3,(H,11,12);;;;;/q;2*+3;3*-2",MXCPYJZDGPQDRA-UHFFFAOYSA-N
DB13510,55837-25-7,Buflomedil,experimental,,C04AX20,,19836,,,422,ZINC000000005191,CHEMBL188921,50170664,BUFLOMEDIL,94538,2467,COC1=CC(OC)=C(C(=O)CCCN2CCCC2)C(OC)=C1,"InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3",OWYLAEYXIQKAOL-UHFFFAOYSA-N
DB13511,55905-53-8,Clebopride,experimental,,A03FA06,,21224,,,670,ZINC000000608261,CHEMBL325109,50132693,,92309,2780,COC1=CC(N)=C(Cl)C=C1C(=O)NC1CCN(CC2=CC=CC=C2)CC1,"InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)",BVPWJMCABCPUQY-UHFFFAOYSA-N
DB13512,3576-64-5,Clefamide,experimental,,P01AC02,,,,,4393,ZINC000000608263,CHEMBL1788400,,,135963,71819,OCCN(CC1=CC=C(OC2=CC=C(C=C2)N(=O)=O)C=C1)C(=O)C(Cl)Cl,"InChI=1S/C17H16Cl2N2O5/c18-16(19)17(23)20(9-10-22)11-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)21(24)25/h1-8,16,22H,9-11H2",ODCUSWJXZDHLKV-UHFFFAOYSA-N
DB13513,4619-74-3,Tribromometacresol,experimental,,D01AE03,,,,,3625,ZINC000000404196,CHEMBL3707340,,,135457,20737,CC1=C(Br)C=C(Br)C(O)=C1Br,"InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3",QKHROXOPRBWBDD-UHFFFAOYSA-N
DB13514,52549-17-4,Pranoprofen,"['experimental', 'investigational']",,S01BC09,,,,,2238,,CHEMBL367463,50286819,PRANOPROFEN,32040,4888,CC(C(O)=O)C1=CC2=C(OC3=C(C2)C=CC=N3)C=C1,"InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)",TVQZAMVBTVNYLA-UHFFFAOYSA-N
DB13515,125-58-6,Levomethadone,experimental,,N07BC05,,236913,,,4586,ZINC000001530706,CHEMBL159659,50223633,LEVOMETHADONE,136003,22267,CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1",USSIQXCVUWKGNF-QGZVFWFLSA-N
DB13516,5588-20-5,Clodantoin,experimental,,G01AX01,,,,,4395,,CHEMBL356479,,,135965,21782,CCCCC(CC)C1NC(=O)N(SC(Cl)(Cl)Cl)C1=O,"InChI=1S/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18)",VOGJJBHRUDVEFM-UHFFFAOYSA-N
DB13517,53-73-6,Angiotensinamide,experimental,,C01CX06,,,,,,,,,,,,CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,"InChI=1S/C49H70N14O11/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,64H,8-9,12-13,18-23,50H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1",JYPVVOOBQVVUQV-CGHBYZBKSA-N
DB13518,9005-32-7,Alginic acid,"['approved', 'investigational']","['27671545', '10848650', '1551350', '231639']",A02BX13,D02324,17305,,,,,,,,,,,,
DB13519,139-42-4,Cerium oxalate,experimental,,A04AD02,,314546,,,,,,,,,86278115,[Ce+3].[Ce+3].[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O,"InChI=1S/3C2H2O4.2Ce/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",ZMZNLKYXLARXFY-UHFFFAOYSA-H
DB13520,17692-51-2,Metergoline,approved,"['3929304', '24909513', '578618']",G02CB05,D07218,6834,,,1723,ZINC000003812975,CHEMBL19215,30704,,64216,28693,[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@@]1([H])C[C@@H](CNC(=O)OCC1=CC=CC=C1)CN2C,"InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1",WZHJKEUHNJHDLS-QTGUNEKASA-N
DB13521,929881-05-0,Alipogene tiparvovec,"['approved', 'investigational']",,C10AX10,D10843,,,,,,,,,,,,,
DB13522,10095-06-4,Mebicar,experimental,,N06BX21,,,,,4861,,,,,,,CN1[C@H]2[C@@H](N(C)C1=O)N(C)C(=O)N2C,"InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3/t5-,6+",XIUUSFJTJXFNGH-OLQVQODUSA-N
DB13523,66644-81-3,Veralipride,experimental,,N05AL06,,39468,,,2814,,CHEMBL2105581,,,135600,47979,COC1=CC(=CC(C(=O)NCC2CCCN2CC=C)=C1OC)S(N)(=O)=O,"InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)",RYJXBGGBZJGVQF-UHFFFAOYSA-N
DB13524,479-92-5,Propyphenazone,experimental,,"['N02BB54', 'N02BB04', 'N02BB74']",D01380,34710,,,2309,ZINC000000049151,CHEMBL28318,,ISOPROPYLANTIPYRINE,135538,3778,CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,"InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3",PXWLVJLKJGVOKE-UHFFFAOYSA-N
DB13525,,Althea root,experimental,,R05CA05,,1306165,,,,,,,,,,,,
DB13526,115-77-5,Pentaerithrityl,experimental,,A06AD14,,33055,,3SY,2085,ZINC000000391843,CHEMBL3186112,,,134760,8285,OCC(CO)(CO)CO,"InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2",WXZMFSXDPGVJKK-UHFFFAOYSA-N
DB13527,57132-53-3,Proglumetacin,experimental,,M01AB14,D08427,34769,,,2280,,CHEMBL2105825,,,76263,4921,CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)CC2=C(C)N(C(=O)C3=CC=C(Cl)C=C3)C3=C2C=C(OC)C=C3)CC1)NC(=O)C1=CC=CC=C1,"InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)",PTXGHCGBYMQQIG-UHFFFAOYSA-N
DB13528,1961-77-9,Chlormadinone,experimental,,"['G03AA15', 'G03DB06', 'G03AB07', 'G03FB03']",,78904,,,,ZINC000030691600,CHEMBL1697830,,,,5284533,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)CC[C@]12C,"InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1",VUHJZBBCZGVNDZ-TTYLFXKOSA-N
DB13529,88-46-0,Dobesilic acid,"['experimental', 'investigational']",,"['C05BX01', 'C05BX51']",,235935,,DBX,,ZINC000001663856,CHEMBL1232131,,ETAMSYLATE,71157,17507,OC1=CC(=C(O)C=C1)S(O)(=O)=O,"InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)",IKQCSJBQLWJEPU-UHFFFAOYSA-N
DB13530,23694-81-7,Mepindolol,experimental,,C07AA14,,29518,,,1697,,CHEMBL65717,50239962,,135082,71698,CC(C)NCC(O)COC1=CC=CC2=C1C=C(C)N2,"InChI=1S/C15H22N2O2/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14/h4-7,10,12,16-18H,8-9H2,1-3H3",NXWGWUVGUSFQJC-UHFFFAOYSA-N
DB13531,553-06-0,Nicofetamide,experimental,,A03AC04,,,,,4675,,CHEMBL3707234,,,81301,3033975,O=C(NC(CC1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CN=C1,"InChI=1S/C20H18N2O/c23-20(18-12-7-13-21-15-18)22-19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-13,15,19H,14H2,(H,22,23)",DWODOIKZDGJOPQ-UHFFFAOYSA-N
DB13532,742-20-1,Cyclopenthiazide,approved,"['2031076', '1808632']","['C03AA07', 'C03EA07', 'G01AE10', 'C03AB07']",,3000,,,756,,CHEMBL1373254,,,91686,138402398,NS(=O)(=O)C1=CC2=C(NC(CC3CCCC3)NS2(=O)=O)C=C1Cl,"InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)",BKYKPTRYDKTTJY-UHFFFAOYSA-N
DB13533,514-61-4,Methylestrenolone,experimental,,G03DC31,,,,,1970,ZINC000004217180,CHEMBL2106801,,,34896,5284597,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,"InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1",ZXSWTMLNIIZPET-ZOFHRBRSSA-N
DB13534,109623-97-4,Gedocarnil,experimental,,N05BX02,,,,,,ZINC000000537780,CHEMBL2105080,,,177565,219095,COCC1=C(N=CC2=C1C1=C(N2)C=CC=C1OC1=CC=C(Cl)C=C1)C(=O)OC(C)C,"InChI=1S/C23H21ClN2O4/c1-13(2)29-23(27)22-16(12-28-3)20-18(11-25-22)26-17-5-4-6-19(21(17)20)30-15-9-7-14(24)8-10-15/h4-11,13,26H,12H2,1-3H3",SLYDYLLJUXFULK-UHFFFAOYSA-N
DB13535,138661-01-5,Nebacumab,experimental,,J06BC01,,,,,,,,,,,,,,
DB13536,521-74-4,Broxyquinoline,experimental,,"['P01AA01', 'A07AX01', 'G01AC06']",,,,,412,ZINC000000001064,CHEMBL223448,76301,,109543,2453,OC1=C2N=CC=CC2=C(Br)C=C1Br,"InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H",ZDASUJMDVPTNTF-UHFFFAOYSA-N
DB13537,10176-39-3,Gitoformate,experimental,,C01AA09,,,,,1296,,CHEMBL2103959,,,,20055283,C[C@H]1O[C@H](C[C@H](OC=O)[C@@H]1OC=O)O[C@@H]1[C@@H](C)O[C@H](C[C@@H]1OC=O)O[C@@H]1[C@@H](C)O[C@H](C[C@@H]1OC=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C[C@]32O)OC=O)C2=CC(=O)OC2)C1,"InChI=1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,6-11,13-18H2,1-5H3/t24-,25-,26-,28-,29+,30+,31-,32+,33+,34+,35+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46+/m1/s1",DOMHWKQEPDYUQX-LJAQBGIBSA-N
DB13538,55482-89-8,Guacetisal,experimental,,N02BA14,,,,,1333,ZINC000000000348,CHEMBL2105097,,,135185,68749,COC1=CC=CC=C1OC(=O)C1=CC=CC=C1OC(C)=O,"InChI=1S/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3",HSJFYRYGGKLQBT-UHFFFAOYSA-N
DB13539,31127-82-9,Iodoxamic acid,experimental,,V08AC01,,,,,,,CHEMBL1615487,,,31707,35740,OC(=O)C1=C(I)C(NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I,"InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)",WWVAPFRKZMUPHZ-UHFFFAOYSA-N
DB13540,58152-03-7,Isepamicin,experimental,,J01GB11,,,,,1486,ZINC000008214585,CHEMBL272080,,,,3037209,[H][C@]1(O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)NC(=O)[C@@H](O)CN)OC[C@](C)(O)[C@H](NC)[C@H]1O,"InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1",UDIIBEDMEYAVNG-ZKFPOVNWSA-N
DB13541,7248-21-7,Iprazochrome,experimental,,N02CX03,,51486,,,1476,,,,,,,CC(C)N1CC(O)C2=C\C(=N\NC(N)=O)C(=O)C=C12,"InChI=1S/C12H16N4O3/c1-6(2)16-5-11(18)7-3-8(14-15-12(13)19)10(17)4-9(7)16/h3-4,6,11,18H,5H2,1-2H3,(H3,13,15,19)/b14-8-",XZKVIDLLLOUTSS-ZSOIEALJSA-N
DB13542,33371-53-8,Bevonium,experimental,,"['A03CA06', 'A03AB13', 'A03DA03']",,,,,3024,,CHEMBL1882461,,,135495,31800,C[N+]1(C)CCCCC1COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H28NO3/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3/q+1",UHUMRJKDOOEQIG-UHFFFAOYSA-N
DB13543,488-41-5,Mitobronitol,experimental,,L01AX01,,6996,,,858,ZINC000002507451,CHEMBL447629,,,34853,656655,[H][C@@](O)(CBr)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CBr,"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1",VFKZTMPDYBFSTM-KVTDHHQDSA-N
DB13544,938-73-8,Ethenzamide,experimental,,"['N02BA07', 'N02BA57', 'N02BA77']",D01466,24468,,,1080,ZINC000000001384,CHEMBL1483877,,,31564,3282,CCOC1=C(C=CC=C1)C(N)=O,"InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)",SBNKFTQSBPKMBZ-UHFFFAOYSA-N
DB13545,1470-35-5,Isobromindione,experimental,,M04AB04,,,,,1488,,CHEMBL2104325,,,135275,68953,BrC1=CC=C2C(=O)C(C(=O)C2=C1)C1=CC=CC=C1,"InChI=1S/C15H9BrO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H",QFLZIWVSQDZLNW-UHFFFAOYSA-N
DB13546,54533-85-6,Nizofenone,experimental,,N06BX10,,,,,1956,ZINC000000538096,CHEMBL2106822,,,135668,4514,CCN(CC)CC1=NC=CN1C1=C(C=C(C=C1)N(=O)=O)C(=O)C1=CC=CC=C1Cl,"InChI=1S/C21H21ClN4O3/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22/h5-13H,3-4,14H2,1-2H3",WZGBZLHGOVJDET-UHFFFAOYSA-N
DB13547,1161-88-2,Sulfatolamide,experimental,,G01AE01,,,,,,,CHEMBL3833354,,,32165,3034019,NCC1=CC=C(C=C1)S(N)(=O)=O.NC(=S)NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C7H9N3O2S2.C7H10N2O2S/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13;8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,8H2,(H3,9,10,13);1-4H,5,8H2,(H2,9,10,11)",ZLYHTQKHXIVMLY-UHFFFAOYSA-N
DB13548,496-00-4,Dibrompropamidine,experimental,,"['D08AC01', 'S01AX14']",,22865,,,3137,ZINC000001665651,CHEMBL30044,50098554,DIBROMOPROPAMIDINE,135760,11974,NC(=N)C1=CC=C(OCCCOC2=CC=C(C=C2Br)C(N)=N)C(Br)=C1,"InChI=1S/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23)",GMJFVGRUYJHMCO-UHFFFAOYSA-N
DB13549,619-60-3,4-dimethylaminophenol,experimental,,V03AB27,,15027,,,4312,ZINC000001669690,CHEMBL3707216,,,135941,22174,CN(C)C1=CC=C(O)C=C1,"InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3",JVVRCYWZTJLJSG-UHFFFAOYSA-N
DB13550,90293-01-9,Bifemelane,experimental,,N06AX08,,47111,,,369,ZINC000001542896,CHEMBL1192517,50330499,,92338,2377,CNCCCCOC1=CC=CC=C1CC1=CC=CC=C1,"InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3",QSQQPMHPCBLLGX-UHFFFAOYSA-N
DB13551,132-60-5,Cinchophen,experimental,,M04AC02,,,,,3101,ZINC000000125047,CHEMBL348000,50097100,,114195,8593,OC(=O)C1=CC(=NC2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)",YTRMTPPVNRALON-UHFFFAOYSA-N
DB13552,749-13-3,Trifluperidol,experimental,,N05AD02,,10804,,,2741,ZINC000000538505,CHEMBL15023,50047016,,135662,5567,OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2",GPMXUUPHFNMNDH-UHFFFAOYSA-N
DB13553,87638-04-8,Carumonam,experimental,,J01DF02,,,,,521,ZINC000003917496,CHEMBL1614658,,,55486,136478868,NC(=O)OC[C@@H]1[C@H](NC(=O)C(=N/OCC(O)=O)\C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O,"InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1",UIMOJFJSJSIGLV-JNHMLNOCSA-N
DB13554,1050-79-9,Moperone,experimental,,N05AD04,,,,,1837,ZINC000000538026,CHEMBL2104700,81486,,135500,4249,CC1=CC=C(C=C1)C1(O)CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,"InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3",AGAHNABIDCTLHW-UHFFFAOYSA-N
DB13555,35080-11-6,Prajmaline,experimental,,C01BA08,,8622,,,2230,ZINC000252462538,,,,135560,76959818,CCC[N@@+]12[C@H]3C[C@]45[C@H](O)[C@H]3[C@@H](C[C@H]1[C@@H]4N(C)C1=C5C=CC=C1)[C@H](CC)[C@H]2O,"InChI=1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17-,18-,19-,20-,21+,22+,23+,25-/m0/s1",UAUHEPXILIZYCU-ALHOSYKFSA-N
DB13556,65761-24-2,Sulfamazone,experimental,,J01ED09,,,,,2509,,CHEMBL2104921,,,131763,187764,COC1=CC=C(NS(=O)(=O)C2=CC=C(NC(C3=C(C)N(C)N(C3=O)C3=CC=CC=C3)S(O)(=O)=O)C=C2)N=N1,"InChI=1S/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35)",BGLHAKAJGYLSOX-UHFFFAOYSA-N
DB13557,84-06-0,Thiopropazate,experimental,,N05AB05,,38133,,,2634,ZINC000022446680,CHEMBL1697851,,,59119,6762,CC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,"InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3",AIUHRQHVWSUTGJ-UHFFFAOYSA-N
DB13558,31848-01-8,Morclofone,experimental,,R05DB25,,,,,1841,ZINC000030691542,CHEMBL2105158,,,135657,35949,COC1=CC(=CC(OC)=C1OCCN1CCOCC1)C(=O)C1=CC=C(Cl)C=C1,"InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3",KVCJCEKJKGLBOK-UHFFFAOYSA-N
DB13559,32953-89-2,Rimiterol,experimental,,R03AC05,,9388,,,2385,ZINC000001565247,,,,,46886609,O[C@@H]([C@@H]1CCCCN1)C1=CC(O)=C(O)C=C1,"InChI=1S/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12+/m0/s1",IYMMESGOJVNCKV-JOYOIKCWSA-N
DB13560,56087-11-7,Dextranomer,experimental,,D03AX02,,22708,,,,,,,,,,,,
DB13561,13364-32-4,Clobenzorex,experimental,,A08AA08,,21244,,,684,ZINC000019890801,,,,135069,735998,C[C@@H](CC1=CC=CC=C1)NCC1=CC=CC=C1Cl,"InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1",LRXXRIXDSAEIOR-ZDUSSCGKSA-N
DB13563,848-21-5,Norgestrienone,experimental,,G03AC07,,7519,,,3205,ZINC000004217177,CHEMBL1908319,,NORGESTRIENONE,135231,13313,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22H,4-7,9,11H2,2H3/t17-,18+,19+,20+/m1/s1",GVDMJXQHPUYPHP-FYQPLNBISA-N
DB13564,34758-83-3,Zipeprol,experimental,,R05DB15,,39969,,,2864,,CHEMBL2105497,,,135602,36910,COC(CN1CCN(CC(O)C(OC)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3",VSTNNAYSCJQCQI-UHFFFAOYSA-N
DB13565,23884-64-2,Benzoxonium,experimental,,"['A01AB14', 'D08AJ05']",,236962,,,,ZINC000008214499,CHEMBL2110609,,,135537,29564,CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1,"InChI=1S/C23H42NO2/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3/q+1",BTAFSOGRDASALR-UHFFFAOYSA-N
DB13566,57734-69-7,Sequifenadine,experimental,,R06AX32,,,,,4803,,CHEMBL2105505,,,,42553,CC1=CC=CC=C1C(O)(C1CN2CCC1CC2)C1=CC=CC=C1C,"InChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3",OXDOWGVJMITMJL-UHFFFAOYSA-N
DB13567,114-43-2,Desaspidin,experimental,,P02DX01,,,,,4377,,CHEMBL2105606,,,135960,,CCCC(=O)C1=C(O)C=C(OC)C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)=C1O,"InChI=1S/C24H30O8/c1-6-8-14(25)18-16(27)11-17(32-5)12(20(18)28)10-13-21(29)19(15(26)9-7-2)23(31)24(3,4)22(13)30/h11,27-28,30-31H,6-10H2,1-5H3",GAHOBHHMYUYJDT-UHFFFAOYSA-N
DB13568,300-37-8,Diodone,experimental,,V08AA10,,,,,,,CHEMBL2105036,,,,9303,OCCNCCO.OC(=O)CN1C=C(I)C(=O)C(I)=C1,"InChI=1S/C7H5I2NO3.C4H11NO2/c8-4-1-10(3-6(11)12)2-5(9)7(4)13;6-3-1-5-2-4-7/h1-2H,3H2,(H,11,12);5-7H,1-4H2",RERHJVNYJKZHLJ-UHFFFAOYSA-N
DB13569,7758-94-3,Ferrous chloride,experimental,,B03AA05,,24940,,,4543,,,,,30812,10329304,[Cl-].[Cl-].[Fe++],InChI=1S/2ClH.Fe/h2*1H;/q;;+2/p-2,NMCUIPGRVMDVDB-UHFFFAOYSA-L
DB13570,9032-53-5,Oxidized cellulose,experimental,,B02BC02,,2481135,,,,,,,,,,,,
DB13571,6834-98-6,Pentamycin,experimental,,G01AA11,,,,,3254,ZINC000060183177,CHEMBL2272031,,,31639,5282200,CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O,"InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1",AGJUUQSLGVCRQA-SWOUQTJZSA-N
DB13572,78-28-4,Emylcamate,experimental,,N05BC03,,,,,1004,ZINC000000001350,CHEMBL2104208,,,134769,6526,CCC(C)(CC)OC(N)=O,"InChI=1S/C7H15NO2/c1-4-7(3,5-2)10-6(8)9/h4-5H2,1-3H3,(H2,8,9)",SLWGJZPKHAXZQL-UHFFFAOYSA-N
DB13573,652-37-9,Acefylline,experimental,,R03DA09,,,,,49,ZINC000000057633,CHEMBL70246,50113248,ETAPHYLLINE,94615,69550,CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O,"InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)",HCYFGRCYSCXKNQ-UHFFFAOYSA-N
DB13574,372-66-7,Heptaminol,experimental,,C01DX08,,5254,,,1361,,CHEMBL2111076,50101812,,94362,3590,CC(N)CCCC(C)(C)O,"InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3",LREQLEBVOXIEOM-UHFFFAOYSA-N
DB13575,53-18-9,Bietaserpine,experimental,,"['C02AA57', 'C02LA07', 'C02AA07']",,,,,3687,ZINC000095628218,CHEMBL3989595,,,125518,20054848,CCN(CC)CCN1C2=CC(OC)=CC=C2C2=C1[C@H]1C[C@H]3[C@H](C[C@@H](OC(=O)C4=CC(OC)=C(OC)C(OC)=C4)[C@H](OC)[C@H]3C(=O)OC)CN1CC2,"InChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1",WFTSRDISOMSAQC-ZNFOTRSXSA-N
DB13576,1976-28-9,Aluminium nicotinate,experimental,,C10AD04,,,,,,,CHEMBL3707287,,,,16098,[Al+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1,"InChI=1S/3C6H5NO2.Al/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3",NSFYKDVWNTWJOK-UHFFFAOYSA-K
DB13577,52-43-7,Allobarbital,experimental,,N05CA21,,516,,,122,ZINC000005193039,CHEMBL267719,,,134875,5842,C=CCC1(CC=C)C(=O)NC(=O)NC1=O,"InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",FDQGNLOWMMVRQL-UHFFFAOYSA-N
DB13578,4439-25-2,Metabutethamine,experimental,,N01BA01,,,,,4658,,CHEMBL2110959,,,81295,11115,CC(C)CNCCOC(=O)C1=CC=CC(N)=C1,"InChI=1S/C13H20N2O2/c1-10(2)9-15-6-7-17-13(16)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9,14H2,1-2H3",BXMFKNRZTLNAFY-UHFFFAOYSA-N
DB13579,17854-59-0,Mepixanox,experimental,,R07AB09,,,,,1701,ZINC000004216861,CHEMBL2104462,,,135373,65687,COC1=CC=C2C(=O)C3=CC=CC=C3OC2=C1CN1CCCCC1,"InChI=1S/C20H21NO3/c1-23-17-10-9-15-19(22)14-7-3-4-8-18(14)24-20(15)16(17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3",PYSOHOOUXFWCFF-UHFFFAOYSA-N
DB13580,116-43-8,Succinylsulfathiazole,experimental,,A07AB04,,37289,,,2490,ZINC000001532343,CHEMBL1484857,50238667,,9309,5315,OC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,"InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)",SKVLYVHULOWXTD-UHFFFAOYSA-N
DB13581,53716-44-2,Rociverine,experimental,,A03AA06,,,,,2395,,CHEMBL4755537,,,135440,24892842,CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1,"InChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3/t16?,18-,20+/m1/s1",XPYLKZZOBVLVHB-QDKIRNHSSA-N
DB13582,54063-42-2,Ferric (59Fe) citrate,experimental,,V09XX04,,,,,,,,,,31605,170848,[59Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3/i;1+3",NPFOYSMITVOQOS-GJNDDOAHSA-K
DB13583,59-47-2,Mephenesin,approved,"['15402629', '4855803', '15421800']",M03BX06,,6755,,,1691,,CHEMBL229128,50238673,,94398,4059,CC1=CC=CC=C1OCC(O)CO,"InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3",JWDYCNIAQWPBHD-UHFFFAOYSA-N
DB13584,153-76-4,Gallamine,experimental,,M03AC02,,4638,PA164745088,,1273,ZINC000005650070,,,,503442,67425,CCN(CC)CCOC1=CC=CC(OCCN(CC)CC)=C1OCCN(CC)CC,"InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3",ICLWTJIMXVISSR-UHFFFAOYSA-N
DB13585,646-02-6,Aminoethyl nitrate,experimental,,"['C01DX01', 'C01DX51']",,,,,,ZINC000004214825,CHEMBL609980,,,166870,26001,NCCO[N+]([O-])=O,InChI=1S/C2H6N2O3/c3-1-2-7-4(5)6/h1-3H2,KZTZJUQNSSLNAG-UHFFFAOYSA-N
DB13586,72-63-9,Metandienone,experimental,,"['D11AE01', 'A14AA03']",,6818,,,1734,ZINC000003875469,CHEMBL1418176,,,6810,6300,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1",XWALNWXLMVGSFR-HLXURNFRSA-N
DB13587,1424-00-6,Mesterolone,experimental,"['872444', '2892728']",G03BB01,,6781,,,3342,ZINC000003881977,CHEMBL258918,50423551,,135293,15020,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C[C@H](C)[C@]12C,"InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1",UXYRZJKIQKRJCF-TZPFWLJSSA-N
DB13588,31329-57-4,Naftidrofuryl,experimental,,C04AX21,,7236,,,1870,,CHEMBL1620794,50347133,,91817,4417,CCN(CC)CCOC(=O)C(CC1CCCO1)CC1=CC=CC2=C1C=CC=C2,"InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3",KBAFPSLPKGSANY-UHFFFAOYSA-N
DB13590,20310-61-6,Calcium pangamate,experimental,,A12AA11,,1917,,,,,CHEMBL3707447,,,,76966485,[Ca++].CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,"InChI=1S/2C10H19NO8.Ca/c2*1-11(2)3-6(13)19-4-5(12)7(14)8(15)9(16)10(17)18;/h2*5,7-9,12,14-16H,3-4H2,1-2H3,(H,17,18);/q;;+2/p-2/t2*5-,7-,8+,9-;/m11./s1",JWLAOERSRUNGEF-JQVJEGKNSA-L
DB13591,14008-44-7,Metopimazine,experimental,,A04AD05,,29954,,,1784,ZINC000000537996,CHEMBL398615,179867,METOPIMAZINE,135726,26388,CS(=O)(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCC(CC3)C(N)=O)C2=C1,"InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)",BQDBKDMTIJBJLA-UHFFFAOYSA-N
DB13592,314-35-2,Etamiphylline,experimental,,"['R03DB06', 'R03DA06']",,,,,3190,ZINC000000001377,CHEMBL2104264,82014,,135157,28329,CCN(CC)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C,"InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3",AWKLBIOQCIORSB-UHFFFAOYSA-N
DB13593,1222-57-7,Zolimidine,experimental,,A02BX10,,,,,3661,ZINC000000002261,CHEMBL2105534,,,135125,14652,CS(=O)(=O)C1=CC=C(C=C1)C1=CN2C=CC=CC2=N1,"InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3",VSLIUWLPFRVCDL-UHFFFAOYSA-N
DB13595,71205-22-6,Almasilate,"['experimental', 'approved']","['24100727', '11550076', '24459527', '3888581']",A02AD05,D07419,,,,,,,,,,131704329,O.[Mg++].[Al+3].[Al+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-],"InChI=1S/2Al.Mg.2O4Si.H2O/c;;;2*1-5(2,3)4;/h;;;;;1H2/q2*+3;+2;2*-4;",XFKLULFTFNRQOX-UHFFFAOYSA-N
DB13596,485-89-2,Oxycinchophen,experimental,,M01CA03,,,,,3413,ZINC000000001877,CHEMBL219376,50201927,,135094,10239,OC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1,"InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)",XAPRFLSJBSXESP-UHFFFAOYSA-N
DB13597,3731-59-7,Moroxydine,experimental,,J05AX01,,30227,,,1844,ZINC000009302211,CHEMBL1490434,50227841,,94665,71655,NC(=N)NC(=N)N1CCOCC1,"InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)",KJHOZAZQWVKILO-UHFFFAOYSA-N
DB13598,60-29-7,Diethyl ether,experimental,,N01AA01,,1363043,,ETZ,4417,ZINC000001657408,CHEMBL16264,,ETHER,35702,3283,CCOCC,"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",RTZKZFJDLAIYFH-UHFFFAOYSA-N
DB13599,3639-19-8,Difetarsone,experimental,,P01AR02,,402587,,,4419,,CHEMBL1788396,,,135969,68199,O[As](O)(=O)C1=CC=C(NCCNC2=CC=C(C=C2)[As](O)(O)=O)C=C1,"InChI=1S/C14H18As2N2O6/c19-15(20,21)11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(4-8-14)16(22,23)24/h1-8,17-18H,9-10H2,(H2,19,20,21)(H2,22,23,24)",YQVALJGIKVYRNI-UHFFFAOYSA-N
DB13600,52918-63-5,Deltamethrin,experimental,,P03BA03,,22374,,,4378,ZINC000001532094,CHEMBL1593566,,DELTAMETHRIN,4388,40585,[H][C@@](OC(=O)[C@]1([H])[C@]([H])(C=C(Br)Br)C1(C)C)(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1,"InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1",OWZREIFADZCYQD-NSHGMRRFSA-N
DB13601,62613-82-5,Oxiracetam,experimental,,N06BX07,,32645,,,2021,,CHEMBL36633,,OXIRACETAM,134788,4626,NC(=O)CN1CC(O)CC1=O,"InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)",IHLAQQPQKRMGSS-UHFFFAOYSA-N
DB13602,34184-77-5,Promegestone,experimental,,G03DB07,,8744,,,2285,ZINC000003814408,CHEMBL196003,18660,,73390,36709,CCC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C,"InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1",QFFCYTLOTYIJMR-XMGTWHOFSA-N
DB13603,1018-71-9,Pyrrolnitrin,experimental,,D01AA07,,,,,3513,ZINC000000002012,CHEMBL97972,,,32079,13916,[O-][N+](=O)C1=C(Cl)C=CC=C1C1=CNC=C1Cl,"InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H",QJBZDBLBQWFTPZ-UHFFFAOYSA-N
DB13604,32059-15-7,Guanazodine,experimental,,C02CC06,,,,,3455,,CHEMBL2008565,,,134828,36054,NC(=N)NCC1CCCCCCN1,"InChI=1S/C9H20N4/c10-9(11)13-7-8-5-3-1-2-4-6-12-8/h8,12H,1-7H2,(H4,10,11,13)",ZCVAIGPGEINFCX-UHFFFAOYSA-N
DB13605,562-26-5,Phenoperidine,experimental,,N01AH04,,8143,,,3441,,CHEMBL2105385,,,135550,11226,CCOC(=O)C1(CCN(CCC(O)C2=CC=CC=C2)CC1)C1=CC=CC=C1,"InChI=1S/C23H29NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12,21,25H,2,13-18H2,1H3",IPOPQVVNCFQFRK-UHFFFAOYSA-N
DB13606,58073-76-0,Phenazocine,experimental,,N02AD02,,8119,,,,ZINC000001481896,CHEMBL316632,,,8056,443405,C[C@H]1[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2CCC1=CC=CC=C1,"InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m0/s1",ZQHYKVKNPWDQSL-KNXBSLHKSA-N
DB13607,5636-92-0,Picloxydine,experimental,,S01AX16,,,,,3467,ZINC000030691566,CHEMBL2104722,50210775,,135768,20055535,ClC1=CC=C(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C20H24Cl2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)",YNCLPFSAZFGQCD-UHFFFAOYSA-N
DB13608,910-86-1,Tiocarlide,experimental,,J04AD02,,,,,2673,ZINC000004217571,CHEMBL214920,50351209,,135637,3001386,CC(C)CCOC1=CC=C(NC(=S)NC2=CC=C(OCCC(C)C)C=C2)C=C1,"InChI=1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)",BWBONKHPVHMQHE-UHFFFAOYSA-N
DB13609,131707-25-0,Umifenovir,investigational,"['28003465', '29642580', '30700611', '21283579', '19446151', '29895962', '24769245', '32037389', '26739045', '23981392', '31996494', '31162013', '28890393', '23488780', '23357765', '27918208']",J05AX13,,,,75U,4868,ZINC000019907652,CHEMBL1214598,83797,UMIFENOVIR,134730,28446253,CCOC(=O)C1=C(CSC2=CC=CC=C2)N(C)C2=CC(Br)=C(O)C(CN(C)C)=C12,"InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3",KCFYEAOKVJSACF-UHFFFAOYSA-N
DB13610,15687-21-5,Flumedroxone,experimental,,N02CB01,,,,,4547,,CHEMBL2104932,,,135987,20055352,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F,"InChI=1S/C22H29F3O3/c1-12(26)21(28)9-6-16-14-11-18(22(23,24)25)17-10-13(27)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,28H,4-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1",CDZJOBWKHSYNMO-SCUQKFFVSA-N
DB13611,3689-76-7,Chlormidazole,experimental,,D01AC04,,,,,3091,ZINC000000084088,CHEMBL152649,97156,,135058,71821,CC1=NC2=CC=CC=C2N1CC1=CC=C(Cl)C=C1,"InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3",WNAQOLSMVPFGTE-UHFFFAOYSA-N
DB13612,5749-67-7,Carbaspirin calcium,"['experimental', 'investigational']",,"['B01AC08', 'N02BA15']",,,,,,,CHEMBL3833325,,,,46783786,[Ca++].NC(N)=O.CC(=O)OC1=CC=CC=C1C([O-])=O.CC(=O)OC1=CC=CC=C1C([O-])=O,"InChI=1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2",VYMUGTALCSPLDM-UHFFFAOYSA-L
DB13613,70-10-0,Ticlatone,experimental,,D01AE08,,,,,4734,ZINC000000002164,CHEMBL2103914,,,136026,6258,ClC1=CC2=C(C=C1)C(=O)NS2,"InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)",POPOYOKQQAEISW-UHFFFAOYSA-N
DB13614,17692-22-7,Metizoline,experimental,,R01AA10,,,,,4671,,CHEMBL1370446,,,136017,28688,CC1=C(CC2=NCCN2)C2=CC=CC=C2S1,"InChI=1S/C13H14N2S/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9/h2-5H,6-8H2,1H3,(H,14,15)",NDNKHWUXXOFHTD-UHFFFAOYSA-N
DB13615,838853-48-8,Mifamurtide,"['experimental', 'approved']","['20596505', '20481644', '21226638', '24134216']",L03AX15,,,,,,,,,,,123133557,O.[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C59H109N6O19P.Na.H2O/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(71)80-41-47(84-53(72)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-82-85(78,79)81-38-37-61-57(75)43(3)62-51(70)36-35-48(56(60)74)65-58(76)44(4)63-59(77)45(5)83-55(54(73)50(69)40-67)49(39-66)64-46(6)68;;/h39,43-45,47-50,54-55,67,69,73H,7-38,40-42H2,1-6H3,(H2,60,74)(H,61,75)(H,62,70)(H,63,77)(H,64,68)(H,65,76)(H,78,79);;1H2/q;+1;/p-1/t43-,44-,45+,47+,48+,49-,50+,54+,55+;;/m0../s1",NGIYLSFJGRLEMI-MHTUOZSYSA-M
DB13616,159776-70-2,Melagatran,experimental,,B01AE04,D07143,,,MEL,,ZINC000003809827,CHEMBL266349,29388,MELAGATRAN,43966,183797,[H][C@]1(CCN1C(=O)[C@H](NCC(O)=O)C1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,"InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1",DKWNMCUOEDMMIN-PKOBYXMFSA-N
DB13617,2127-01-7,Clorexolone,experimental,,"['C03BA12', 'C03BA82']",,,,,712,ZINC000000001199,CHEMBL2106167,,,31421,16473,NS(=O)(=O)C1=C(Cl)C=C2CN(C3CCCCC3)C(=O)C2=C1,"InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)",VPMWFZKOWULPGT-UHFFFAOYSA-N
DB13618,35212-22-7,Ipriflavone,experimental,,M05BX01,,51487,,,1477,ZINC000000004016,CHEMBL165790,43662,,31719,3747,CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1,"InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3",SFBODOKJTYAUCM-UHFFFAOYSA-N
DB13619,20448-86-6,Bornaprine,experimental,,N04AA11,,19610,,,390,,,,,,70687267,CCN(CC)CCCOC(=O)C1(C[C@@H]2CC[C@H]1C2)C1=CC=CC=C1,"InChI=1S/C21H31NO2/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3/t17-,19+,21?/m1/s1",BDNMABJZSXTKAQ-VCPDFFEISA-N
DB13620,299-27-4,Potassium gluconate,approved,"['27455317', '27413123']",A12BA05,D01298,89903,,,,,CHEMBL2106978,,POTASSIUM GLUCONATE,32032,16760467,[K+].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,"InChI=1S/C6H12O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1",HLCFGWHYROZGBI-JJKGCWMISA-M
DB13621,53008-15-4,Tetragalacturonic acid hydroxymethylester,experimental,,B02BC03,,,,,4729,,,,,136025,72941563,OCOC(=O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)OCO)O[C@@H]3C(=O)OCO)O[C@@H]2C(=O)OCO)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C28H42O29/c29-1-47-22(43)17-6(34)5(33)11(39)26(55-17)53-15-8(36)13(41)28(57-19(15)24(45)49-3-31)54-16-9(37)12(40)27(56-20(16)25(46)50-4-32)52-14-7(35)10(38)21(42)51-18(14)23(44)48-2-30/h5-21,26-42H,1-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,26-,27-,28-/m0/s1",PGQMFCVZFGJVNB-LRVJTQDXSA-N
DB13622,63795-61-9,Selenium (75Se) norcholesterol,experimental,,V09XX03,,,,,,,,,,,122051,C[75Se]C[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2C2=C1C[C@@H](O)CC2,"InChI=1S/C28H48OSe/c1-18(2)7-6-8-19(3)26-11-12-27-25-15-20(17-30-5)24-16-21(29)9-10-22(24)23(25)13-14-28(26,27)4/h18-21,23,25-27,29H,6-17H2,1-5H3/t19-,20+,21+,23-,25-,26-,27+,28-/m1/s1/i30-4",AEVGUKVBCBHBNF-MJMUOCKJSA-N
DB13623,173352-21-1,Fabomotizole,experimental,,N05BX04,,,,,4079,ZINC000023139484,CHEMBL3707307,,FABOMOTIZOLE,135309,9862937,CCOC1=CC=C2NC(SCCN3CCOCC3)=NC2=C1,"InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)",WWNUCVSRRUDYPP-UHFFFAOYSA-N
DB13624,93-30-1,Methoxyphenamine,approved,,R03CB02,,29704,,,1755,,CHEMBL2010507,,,134817,4117,CNC(C)CC1=CC=CC=C1OC,"InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3",OEHAYUOVELTAPG-UHFFFAOYSA-N
DB13625,34866-47-2,Carbuterol,experimental,,"['R03AC10', 'R03CC10']",,,,,506,,CHEMBL2110780,,,135100,36976,CC(C)(C)NCC(O)C1=CC(NC(N)=O)=C(O)C=C1,"InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)",KEMXXQOFIRIICG-UHFFFAOYSA-N
DB13626,41354-48-7,Aluminium glycinate,experimental,,A02AB07,,23162,,,,,,,,,73415751,O.[OH-].[OH-].[Al+3].NCC([O-])=O,"InChI=1S/C2H5NO2.Al.3H2O/c3-1-2(4)5;;;;/h1,3H2,(H,4,5);;3*1H2/q;+3;;;/p-3",UTUUIUQHGDRVPU-UHFFFAOYSA-K
DB13627,14698-29-4,Oxolinic acid,experimental,,J01MB05,D02301,7798,,OXI,2024,ZINC000000001875,CHEMBL416755,,,138856,4628,CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12,"InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)",KYGZCKSPAKDVKC-UHFFFAOYSA-N
DB13628,120-47-8,Ethyl hydroxybenzoate,"['experimental', 'approved']",,D01AE10,D01647,1362892,,E4B,4773,ZINC000000001392,CHEMBL15841,50428380,,31575,8434,CCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",NUVBSKCKDOMJSU-UHFFFAOYSA-N
DB13629,2210-63-1,Mofebutazone,experimental,,"['M02AA02', 'M01AA02']",,30202,,,1828,,CHEMBL1892201,,,76252,16639,CCCCC1C(=O)NN(C1=O)C1=CC=CC=C1,"InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16)",REOJLIXKJWXUGB-UHFFFAOYSA-N
DB13630,59866-76-1,Bibenzonium,experimental,,R05DB12,,,,,,,CHEMBL2110796,,,135175,71954,C[N+](C)(C)CCOC(CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H26NO/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3/q+1",LBRNZQRZDLLIHL-UHFFFAOYSA-N
DB13631,865-04-3,Methoserpidine,experimental,,"['C02LA04', 'C02AA06']",,235829,,,1750,ZINC000056898766,CHEMBL3989541,,,135848,71798,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C(NC5=CC=C(OC)C=C45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,24-,27-,28+,31+/m1/s1",ULBNWNUHGJLQHO-VKMIBBQISA-N
DB13632,58416-00-5,Protiofate,experimental,,G01AX13,,,,,3498,ZINC000001846265,CHEMBL2105391,,,135194,68780,CCCOC(=O)C1=C(O)C(O)=C(S1)C(=O)OCCC,"InChI=1S/C12H16O6S/c1-3-5-17-11(15)9-7(13)8(14)10(19-9)12(16)18-6-4-2/h13-14H,3-6H2,1-2H3",GUFHWUFYAOUKTI-UHFFFAOYSA-N
DB13633,11121-32-7,Mepartricin,experimental,,"['G01AA09', 'G04CX03', 'D01AA06', 'A01AB16']",,,,,,,,,,,,,,
DB13634,1028-33-7,Pentifylline,experimental,,C04AD01,,33086,,,2094,ZINC000002004497,CHEMBL2105338,,,135091,70569,CCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,"InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3",MRWQRJMESRRJJB-UHFFFAOYSA-N
DB13635,83275-56-3,Tiracizine,experimental,,C01EB11,,,,,2679,ZINC000000538471,CHEMBL1625260,50146373,,135549,71264,CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1,"InChI=1S/C21H25N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26)",KJAMZCVTJDTESW-UHFFFAOYSA-N
DB13636,857401-00-4,Etanautine,experimental,,N04AB01,,,,,,,CHEMBL3707215,,,,10255142,CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C17H21NO.C9H10N4O4/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-12,17H,13-14H2,1-2H3;4H,3H2,1-2H3,(H,14,15)",UFKLOBYBVCBTBP-UHFFFAOYSA-N
DB13637,21946-79-2,Tenitramine,experimental,,C01DA38,,,,,2591,,CHEMBL3707257,,,81292,168009,[O-][N+](=O)OCCN(CCO[N+]([O-])=O)CCN(CCO[N+]([O-])=O)CCO[N+]([O-])=O,InChI=1S/C10H20N6O12/c17-13(18)25-7-3-11(4-8-26-14(19)20)1-2-12(5-9-27-15(21)22)6-10-28-16(23)24/h1-10H2,DLDKCSIJFIPYRK-UHFFFAOYSA-N
DB13638,76610-84-9,Cefbuperazone,experimental,,J01DC13,,,,,3072,ZINC000004215229,CHEMBL1908372,,,135856,127527,CCN1CCN(C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@]2(OC)[C@H]3SCC(CSC4=NN=NN4C)=C(N3C2=O)C(O)=O)C(=O)C1=O,"InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1",SMSRCGPDNDCXFR-CYWZMYCQSA-N
DB13639,2944-65-2,Ferrous tartrate,experimental,,B03AA08,,,,,,,,,,,6451676,[Fe++].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O,"InChI=1S/C4H6O6.Fe/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2/t1-,2-;/m1./s1",OHZCFWMJMWFNFP-ZVGUSBNCSA-L
DB13640,6277-14-1,Acetoxolone,experimental,,A02BX09,,16784,,,62,ZINC000034169081,CHEMBL207413,50188385,,81306,94320,CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C,"InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1",FTQDJVZNPJRVPG-XWEVEMRCSA-N
DB13641,1910-68-5,Metisazone,experimental,,J05AA01,,,,,1746,ZINC000100011971,CHEMBL1512080,,,,,CN1C(=O)\C(=N/NC(N)=S)C2=C1C=CC=C2,"InChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5H,1H3,(H3,11,13,16)/b12-8-",DLGSOJOOYHWROO-WQLSENKSSA-N
DB13642,511-45-5,Pridinol,experimental,,M03BX03,,34479,,,2263,ZINC000001482149,CHEMBL404215,,C-238,75247,4904,OC(CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2",RQXCLMGKHJWMOA-UHFFFAOYSA-N
DB13643,61197-73-7,Loprazolam,experimental,,N05CD11,,38555,,,1602,ZINC000022010289,CHEMBL2107448,,,135754,3033860,[H]\C(N1CCN(C)CC1)=C1\N=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(=C3)N(=O)=O)N2C1=O,"InChI=1S/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3/b19-14-",UTEFBSAVJNEPTR-RGEXLXHISA-N
DB13644,56-04-2,Methylthiouracil,experimental,,H03BA01,,,,,1773,ZINC000005037820,CHEMBL1330588,50239994,,82346,667493,CC1=CC(=O)NC(=S)N1,"InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",HWGBHCRJGXAGEU-UHFFFAOYSA-N
DB13645,33414-33-4,Ethacizine,experimental,,C01BC09,,,,,4835,ZINC000004182572,CHEMBL1997663,,,134732,107841,CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN(CC)CC)C=C1,"InChI=1S/C22H27N3O3S/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)",PQXGNJKJMFUPPM-UHFFFAOYSA-N
DB13646,99149-95-8,Saruplase,experimental,,B01AD08,,,,,,,,,,,,,,
DB13647,13909-09-6,Semustine,"['experimental', 'investigational']",,L01AD03,,,,,4704,,,,,,,,,
DB13648,23214-96-2,Alcuronium,experimental,,M03AA01,,460,,,109,,CHEMBL3305985,,,55313,21158560,[H][C@@]12C[C@@]3([H])\C(C[N@+]1(CC=C)CC[C@@]21C2=C(C=CC=C2)N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])C1=C(C=CC=C1)[C@@]51CC[N@@+]2(CC=C)C\C(=C\CO)[C@]4([H])C[C@@]12[H])=C/CO,"InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13-,30-14-,33-25-,34-26-/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-/m0/s1",MUQUYTSLDVKIOF-CHJKCJHBSA-N
DB13649,22760-18-5,Proquazone,experimental,,M01AX13,,,,,2311,ZINC000000001995,CHEMBL268501,50225112,,135151,31508,CC(C)N1C(=O)N=C(C2=CC=CC=C2)C2=CC=C(C)C=C12,"InChI=1S/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3",JTIGKVIOEQASGT-UHFFFAOYSA-N
DB13650,13755-41-4,Aloglutamol,experimental,,A02AB06,,17392,,,,,CHEMBL3707299,,,,72941505,NC(CO)(CO)CO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Al](O)O,"InChI=1S/C6H12O7.C4H11NO3.Al.2H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;5-4(1-6,2-7)3-8;;;/h2-5,7-11H,1H2,(H,12,13);6-8H,1-3,5H2;;2*1H2/q;;+3;;/p-3/t2-,3-,4+,5-;;;;/m1..../s1",GJJYZOBRHIMORS-GQOAHPRESA-K
DB13651,47562-08-3,Lorajmine,experimental,,C01BA12,,,,,1604,ZINC000056897614,,,,135646,76957773,CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)CCl)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)C1=CC=CC=C51,"InChI=1S/C22H27ClN2O3/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3/t11-,12-,15-,16-,18-,19-,20+,21+,22+/m0/s1",LAHDERDHXJFFJU-ZWNKPRIXSA-N
DB13652,32421-46-8,Bunaftine,experimental,,C01BD03,,,,,428,ZINC000002010639,CHEMBL2104200,,,135392,36131,CCCCN(CCN(CC)CC)C(=O)C1=C2C=CC=CC2=CC=C1,"InChI=1S/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3",WWGZXRYELYWJBD-UHFFFAOYSA-N
DB13653,59729-31-6,Lorcainide,experimental,,C01BC07,,,,,1607,ZINC000000537935,CHEMBL87543,50237589,,135568,42884,CC(C)N1CCC(CC1)N(C(=O)CC1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3",XHOJAWVAWFHGHL-UHFFFAOYSA-N
DB13654,1318-93-0,Montmorillonite,"['experimental', 'investigational']",,A07BC05,,1425919,,,,,,,,,71586775,O.[O--].[O--].[O--].[Al+3].[Al+3].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O,InChI=1S/2Al.4O2Si.H2O.3O/c;;4*1-3-2;;;;/h;;;;;;1H2;;;/q2*+3;;;;;;3*-2,GUJOJGAPFQRJSV-UHFFFAOYSA-N
DB13655,59-26-7,Nikethamide,experimental,,"['R07AB02', 'R07AB52']",,7424,,,3383,ZINC000000001814,CHEMBL2104607,50248014,,134814,5497,CCN(CC)C(=O)C1=CN=CC=C1,"InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3",NCYVXEGFNDZQCU-UHFFFAOYSA-N
DB13656,128326-82-9,Eberconazole,experimental,,D01AC17,,,,,978,,CHEMBL558722,,,83584,72051,ClC1=CC(Cl)=C2C(N3C=CN=C3)C3=CC=CC=C3CCC2=C1,"InChI=1S/C18H14Cl2N2/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22/h1-4,7-11,18H,5-6H2",MPTJIDOGFUQSQH-UHFFFAOYSA-N
DB13657,5003-48-5,Benorilate,approved,,N02BA10,,1372,,,310,ZINC000000001003,CHEMBL162036,,,135340,21102,CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2OC(C)=O)C=C1,"InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)",FEJKLNWAOXSSNR-UHFFFAOYSA-N
DB13658,197462-97-8,Hemoglobin raffimer,"['experimental', 'investigational']",,B05AA09,,,,,,,,,,,,,,
DB13659,3810-35-3,Tenonitrozole,experimental,,P01AX08,,236186,,,2594,ZINC000004217523,CHEMBL1082354,,,135042,19646,O=C(NC1=NC=C(S1)N(=O)=O)C1=CC=CS1,"InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)",ZLOXYEZYWCTXHU-UHFFFAOYSA-N
DB13660,551-27-9,Propicillin,experimental,,J01CE03,,34649,,,2297,,CHEMBL2105612,,,52429,92879,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(CC)OC1=CC=CC=C1)C(O)=O,"InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1",HOCWPKXKMNXINF-XQERAMJGSA-N
DB13661,61-57-4,Niridazole,experimental,,P02BX02,,,,,1941,ZINC000003875416,CHEMBL152632,,,82349,6093,[O-][N+](=O)C1=CN=C(S1)N1CCNC1=O,"InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)",RDXLYGJSWZYTFJ-UHFFFAOYSA-N
DB13662,358-52-1,Hexapropymate,experimental,,N05CM10,,,,,1367,ZINC000000001531,CHEMBL2104292,,,134823,9661,NC(=O)OC1(CC#C)CCCCC1,"InChI=1S/C10H15NO2/c1-2-6-10(13-9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H2,11,12)",MIRHIEAGDGUXKL-UHFFFAOYSA-N
DB13663,671-95-4,Clofenamide,experimental,,"['C03BA07', 'C03BB07']",,,,,693,ZINC000001482010,CHEMBL1865258,,,31418,69594,NS(=O)(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,"InChI=1S/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)",NENBAISIHCWPKP-UHFFFAOYSA-N
DB13664,2825-60-7,Formocortal,experimental,,S01BA12,,,,,3245,ZINC000004216336,CHEMBL1989587,,,135834,289085,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(C=O)=C4C=C(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C)OCCCl,"InChI=1S/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1",QNXUUBBKHBYRFW-QWAPGEGQSA-N
DB13665,1480-19-9,Fluanisone,experimental,,N05AD09,,,,,,ZINC000004213325,CHEMBL58792,50019959,,177744,15139,COC1=CC=CC=C1N1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,"InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3",IRYFCWPNDIUQOW-UHFFFAOYSA-N
DB13666,144-12-7,Tiemonium iodide,experimental,,"['A03DA07', 'A03AB17']",,,,,,,CHEMBL2104797,,,32224,72142,[I-].C[N+]1(CCC(O)(C2=CC=CS2)C2=CC=CC=C2)CCOCC1,"InChI=1S/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1",IOFXEUZPIIUQAG-UHFFFAOYSA-M
DB13667,113359-04-9,Cefozopran,experimental,,J01DE03,D01052,,,,551,,CHEMBL1276663,,,3502,9571080,[H][C@]12SCC(C[N+]3=C4C=CC=NN4C=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=NSC(N)=N1)C([O-])=O,"InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1",QDUIJCOKQCCXQY-WHJQOFBOSA-N
DB13668,62732-44-9,Ipidacrine,experimental,,N06DA05,,,,R9W,4808,ZINC000006780651,CHEMBL130880,50279987,,125612,604519,NC1=C2CCCC2=NC2=C1CCCC2,"InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)",YLUSMKAJIQOXPV-UHFFFAOYSA-N
DB13669,110-91-8,Morpholine,experimental,,N02BA08,,1368870,,6LR,,ZINC000001699948,CHEMBL276518,,,34856,8083,C1COCCN1,"InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",YNAVUWVOSKDBBP-UHFFFAOYSA-N
DB13670,36531-26-7,Oxantel,experimental,,P02CC02,,1871175,,,4005,ZINC000100025503,CHEMBL1240977,,OXANTEL,135610,5281087,CN1CCCN=C1\C=C\C1=CC=CC(O)=C1,"InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+",VRYKTHBAWRESFI-VOTSOKGWSA-N
DB13671,350-12-9,Sulbentine,experimental,,D01AE09,,,,,3557,ZINC000019909326,CHEMBL151803,50084132,,31477,67686,S=C1SCN(CC2=CC=CC=C2)CN1CC1=CC=CC=C1,"InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2",QFVAWNPSRQWSDU-UHFFFAOYSA-N
DB13672,63834-04-8,Dimethylaminopropionylphenothiazine,experimental,,A03AC02,,,,,4769,,CHEMBL3707362,,,81224,113918,CC(N(C)C)C(=O)N1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C17H18N2OS/c1-12(18(2)3)17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-12H,1-3H3",POZJNEBUHLZROM-UHFFFAOYSA-N
DB13673,4696-76-8,Bekanamycin,experimental,,J01GB13,,,,9CS,1520,ZINC000053132258,CHEMBL176,50368267,,28098,439318,[H][C@]1(N)C[C@@]([H])(N)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(N)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O[C@@]1([H])O[C@]([H])(CN)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N,"InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1",SKKLOUVUUNMCJE-FQSMHNGLSA-N
DB13674,38609-97-1,Cridanimod,experimental,,L03AX18,,,,1K5,4853,ZINC000003878688,CHEMBL1569545,50511089,CRIDANIMOD,136036,38072,OC(=O)CN1C2=CC=CC=C2C(=O)C2=CC=CC=C12,"InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)",UOMKBIIXHQIERR-UHFFFAOYSA-N
DB13675,565-33-3,Metahexamide,experimental,,A10BB10,,,,,1717,ZINC000003831047,CHEMBL507419,,,135328,11259,CC1=CC=C(C=C1N)S(=O)(=O)NC(=O)NC1CCCCC1,"InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)",XXYTXQGCRQLRHA-UHFFFAOYSA-N
DB13676,89419-40-9,Mosapramine,experimental,,N05AX10,,,,,1847,,CHEMBL2106650,50530438,,166972,4257,ClC1=CC2=C(CCC3=CC=CC=C3N2CCCN2CCC3(CC2)N2CCCCC2NC3=O)C=C1,"InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)",PXUIZULXJVRBPC-UHFFFAOYSA-N
DB13677,24279-91-2,Carboquone,experimental,,L01AC03,,,,,503,,CHEMBL443014,,,31356,2569,COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,"InChI=1S/C15H19N3O5/c1-8-11(17-3-4-17)14(20)10(9(22-2)7-23-15(16)21)12(13(8)19)18-5-6-18/h9H,3-7H2,1-2H3,(H2,16,21)",SHHKQEUPHAENFK-UHFFFAOYSA-N
DB13678,561-77-3,Dihexyverine,experimental,,A03AA08,,236209,,,883,ZINC000000001297,CHEMBL2110912,,,135367,21788,O=C(OCCN1CCCCC1)C1(CCCCC1)C1CCCCC1,"InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2",MNSQDVCVWNXBFQ-UHFFFAOYSA-N
DB13679,25523-97-1,Dexchlorpheniramine,"['experimental', 'investigational']",,"['R06AB02', 'R06AB52']",,22697,,,4411,ZINC000000113404,CHEMBL1201353,,POLARAMINE,4464,33036,CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1,"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1",SOYKEARSMXGVTM-HNNXBMFYSA-N
DB13680,15687-37-3,Naftazone,approved,,C05CX02,,31475,,,1871,ZINC000018163569,CHEMBL2106794,,,134890,,NC(=O)N\N=C1/C=CC2=CC=CC=C2C1=O,"InChI=1S/C11H9N3O2/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6H,(H3,12,14,16)/b13-9+",TZGBBMBARSFJBG-UKTHLTGXSA-N
DB13681,22131-35-7,Butalamine,experimental,,C04AX23,,180806,,,440,ZINC000002002230,CHEMBL1697825,,,135354,30949,CCCCN(CCCC)CCNC1=NC(=NO1)C1=CC=CC=C1,"InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)",VYWQZAARVNRSTR-UHFFFAOYSA-N
DB13682,84957-29-9,Cefpirome,approved,,J01DE02,D07649,27130,,,553,,CHEMBL65794,,CEFPIROME SULFATE,3503,5479539,[H][C@]12SCC(C[N+]3=C4CCCC4=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C([O-])=O,"InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1",DKOQGJHPHLTOJR-WHRDSVKCSA-N
DB13683,86-80-6,Quinisocaine,experimental,,D04AB05,,,,,3153,ZINC000001671507,CHEMBL127643,50225699,,93295,6857,CCCCC1=CC2=CC=CC=C2C(OCCN(C)C)=N1,"InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3",XNMYNYSCEJBRPZ-UHFFFAOYSA-N
DB13684,74512-12-2,Omoconazole,experimental,,"['G01AF16', 'D01AC13']",,32411,,,1991,ZINC000001532917,CHEMBL2046550,,,135685,3033988,C\C(N1C=CN=C1)=C(\OCCOC1=CC=C(Cl)C=C1)C1=C(Cl)C=C(Cl)C=C1,"InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3/b20-14-",JMFOSJNGKJCTMJ-ZHZULCJRSA-N
DB13685,10592-65-1,Quingestanol,experimental,,"['G03AA02', 'G03AC04']",,,,,,,,,,,9842127,C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@H]34)OC3CCCC3)[C@@H]1CC[C@@]2(O)C#C,"InChI=1S/C25H34O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,8,16,18,20-23,26H,4-7,9-15H2,2H3/t20-,21+,22+,23-,24-,25-/m0/s1",PCJFRMOEZQQSAX-AIOSZGMZSA-N
DB13686,1926-49-4,Clometocillin,experimental,,J01CE07,,,,,699,,CHEMBL2106548,,,131732,71807,COC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)C1=CC=C(Cl)C(Cl)=C1,"InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1",JKXQBIZCQJLVOS-GSNLGQFWSA-N
DB13687,27367-90-4,Niaprazine,experimental,,N05CM16,,31722,,,1908,,CHEMBL2105141,,,135505,71919,CC(CCN1CCN(CC1)C1=CC=C(F)C=C1)NC(=O)C1=CN=CC=C1,"InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)",RSKQGBFMNPDPLR-UHFFFAOYSA-N
DB13688,1251830-50-8,Drisapersen,"['experimental', 'investigational']",,M09AX04,,,,,,,,,,,,,,
DB13689,57333-96-7,Tacalcitol,"['experimental', 'investigational']",,D05AX04,,291204,,,4727,ZINC000004474668,CHEMBL2105611,50441892,TACALCITOL,32176,5283734,CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,"InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1",BJYLYJCXYAMOFT-RSFVBTMBSA-N
DB13690,109-93-3,Vinyl ether,experimental,,N01AA02,,,,,3645,ZINC000002012764,CHEMBL2105883,,DIVINYL ETHER,81293,8024,C=COC=C,"InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2",QYKIQEUNHZKYBP-UHFFFAOYSA-N
DB13691,5511-98-8,Acetyldigoxin,experimental,,"['C01AA52', 'C01AA02']",,199,,,,ZINC000245253865,CHEMBL2074725,,ACETYLDIGOXIN,,11765960,C[C@H]1O[C@H](C[C@H](OC(C)=O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C,"InChI=1S/C43H66O15/c1-20-38(49)32(55-23(4)44)18-37(52-20)58-40-22(3)54-36(17-31(40)46)57-39-21(2)53-35(16-30(39)45)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(47)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1",HWKJSYYYURVNQU-DXJNJSHLSA-N
DB13692,30418-38-3,Tretoquinol,experimental,,"['R03AC09', 'R03CC09']",,,,,2723,ZINC000000000802,CHEMBL174984,82503,,135461,65772,COC1=CC(C[C@@H]2NCCC3=CC(O)=C(O)C=C23)=CC(OC)=C1OC,"InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/t14-/m0/s1",RGVPOXRFEPSFGH-AWEZNQCLSA-N
DB13693,41744-40-5,Sulbenicillin,experimental,,J01CA16,,10168,,,4052,ZINC000003875033,CHEMBL3306853,,,,20055036,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@@H](C1=CC=CC=C1)S(O)(=O)=O)C(O)=O,"InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10-,11+,14-/m1/s1",JETQIUPBHQNHNZ-NJBDSQKTSA-N
DB13694,17299-00-2,Distigmine,experimental,"['15787326', '20410601']",N07AA03,,3551,,,927,ZINC000003872328,CHEMBL1199307,,,80756,3116,CN(CCCCCCN(C)C(=O)OC1=C[N+](C)=CC=C1)C(=O)OC1=C[N+](C)=CC=C1,"InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3/q+2",AHZBEVXBKNYXPU-UHFFFAOYSA-N
DB13695,22064-27-3,Penthienate,experimental,,A03AB04,,,,,2093,,CHEMBL2110700,,,135447,6067,CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCC1)C1=CC=CS1,"InChI=1S/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1",NEMLPWNINZELKP-UHFFFAOYSA-N
DB13696,3679-64-9,Bromochlorosalicylanilide,experimental,,D01AE01,,,,,3040,ZINC000000001178,CHEMBL153192,,,135394,77254,OC1=CC=C(Br)C=C1C(=O)NC1=CC=C(Cl)C=C1,"InChI=1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)",QBSGXIBYUQJHMJ-UHFFFAOYSA-N
DB13697,539-21-9,Ambazone,experimental,,R02AA01,,,,,145,,,,,134962,,NC(=N)NN=C1C=CC(C=C1)=NNC(N)=S,"InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4H,(H4,9,10,14)(H3,11,15,16)/b12-5-,13-6+",MLMFUKWWZIZRHX-UWRPRBHNSA-N
DB13698,563-71-3,Ferrous carbonate,experimental,,B03AA04,,1440290,,,,,,,,86235,11248,[Fe++].[O-]C([O-])=O,"InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",RAQDACVRFCEPDA-UHFFFAOYSA-L
DB13699,515-49-1,Sulfathiourea,experimental,,J01EB08,D07239,,,,3567,ZINC000003873929,CHEMBL2107489,,,131723,3000579,NC(=S)NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)",UEMLYRZWLVXWRU-UHFFFAOYSA-N
DB13700,9012-00-4,Protamine,"['experimental', 'investigational']",,V03AB14,,8826,,,,,,,,,,,,
DB13701,49755-67-1,Ioglicic acid,experimental,,V08AA06,,,,,4580,ZINC000004216603,CHEMBL2105024,,,135999,65437,CNC(=O)CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,"InChI=1S/C13H12I3N3O5/c1-4(20)19-11-9(15)6(12(22)18-3-5(21)17-2)8(14)7(10(11)16)13(23)24/h3H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)",HHFIATHHSBFCBY-UHFFFAOYSA-N
DB13702,54663-47-7,Tibezonium iodide,experimental,,A01AB15,,237141,,,2654,,CHEMBL2107065,,,,6918582,[I-].CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2N=C(C1)C1=CC=C(SC2=CC=CC=C2)C=C1,"InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1",YTSPICCNZMNDQT-UHFFFAOYSA-M
DB13703,18840-47-6,Gepefrine,experimental,,C01CA15,,41157,,,1290,ZINC000000967941,CHEMBL3989731,,,,219105,[H][C@@](C)(N)CC1=CC(O)=CC=C1,"InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3/t7-/m0/s1",WTDGMHYYGNJEKQ-ZETCQYMHSA-N
DB13704,270076-60-3,Pristinamycin,"['experimental', 'investigational']",,J01FG01,,66958,,,,,,,,,,,,
DB13705,38146-42-8,Decamethoxine,experimental,,D08AJ10,,,,,4919,,,,,,118984404,[Cl-].[Cl-].CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,"InChI=1S/C38H74N2O4.2ClH/c1-29(2)33-21-19-31(5)25-35(33)43-37(41)27-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)28-38(42)44-36-26-32(6)20-22-34(36)30(3)4;;/h29-36H,11-28H2,1-10H3;2*1H/q+2;;/p-2/t31-,32-,33+,34+,35-,36-;;/m1../s1",LRQIWRXCHWNNEA-MWZFJMJKSA-L
DB13706,17372-87-1,Eosin,experimental,,D08AX02,,1310593,,,4466,,CHEMBL411675,,,52053,11048,[Na+].[Na+].[O-]C(=O)C1=C(C=CC=C1)C1=C2C=C(Br)C(=O)C(Br)=C2OC2=C1C=C(Br)C([O-])=C2Br,"InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",SEACYXSIPDVVMV-UHFFFAOYSA-L
DB13707,868-18-8,Sodium tartrate,approved,,A06AD21,,56524,,,,,CHEMBL2107781,,SODIUM TARTRATE,63017,59996489,[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O,"InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1",HELHAJAZNSDZJO-OLXYHTOASA-L
DB13708,20287-37-0,Fenquizone,experimental,,C03BA13,,,,,1162,,CHEMBL2106186,,,135435,68548,NS(=O)(=O)C1=C(Cl)C=C2NC(NC(=O)C2=C1)C1=CC=CC=C1,"InChI=1S/C14H12ClN3O3S/c15-10-7-11-9(6-12(10)22(16,20)21)14(19)18-13(17-11)8-4-2-1-3-5-8/h1-7,13,17H,(H,18,19)(H2,16,20,21)",DBDTUXMDTSTPQZ-UHFFFAOYSA-N
DB13709,53449-58-4,Ciclonicate,experimental,,C04AC07,,,,,3908,ZINC000004215324,CHEMBL2104521,,,135007,10444661,C[C@@H]1C[C@H](CC(C)(C)C1)OC(=O)C1=CC=CN=C1,"InChI=1S/C15H21NO2/c1-11-7-13(9-15(2,3)8-11)18-14(17)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3/t11-,13-/m1/s1",GQSGZTBDVNUIQS-DGCLKSJQSA-N
DB13710,153-00-4,Metenolone,experimental,,A14AA04,,6833,,,1743,ZINC000005497532,,,,135283,3037705,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)C=C(C)[C@]4(C)[C@@]3([H])CC[C@]12C,"InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1",ANJQEDFWRSLVBR-VHUDCFPWSA-N
DB13711,14504-73-5,Tritoqualine,approved,,R06AX21,,38810,,,2765,,CHEMBL2104445,,,135802,72145,CCOC1=C(OCC)C(OCC)=C(N)C2=C1C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(OC)=C12,"InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3",IRGJVQIJENCTQF-UHFFFAOYSA-N
DB13712,502-55-6,Dixanthogen,experimental,,P03AA01,,,,,3163,ZINC000001595003,CHEMBL331743,,DIXANTHOGEN,82241,10404,CCOC(=S)SSC(=S)OCC,"InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3",FVIGODVHAVLZOO-UHFFFAOYSA-N
DB13713,10447-39-9,Quifenadine,experimental,,R06AX31,,,,,4748,,CHEMBL1187694,,,134746,65600,OC(C1CN2CCC1CC2)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2",PZMAHNDJABQWGS-UHFFFAOYSA-N
DB13714,13741-18-9,Xibornol,experimental,,J01XX02,,39823,,,2851,ZINC000113216504,,,,,76967262,CC1=CC(O)=C(C=C1C)[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3/t13-,15+,18+/m0/s1",RNRHMQWZFJXKLZ-JCKWVBRZSA-N
DB13715,35898-87-4,Dilazep,experimental,,C01DX10,,,,8DZ,893,ZINC000022454221,CHEMBL126075,50017691,,92842,3074,COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN1CCCN(CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC1,"InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3",QVZCXCJXTMIDME-UHFFFAOYSA-N
DB13716,84-74-2,Dibutylphthalate,experimental,,P03BX03,,1362873,,DB7,4414,ZINC000001693431,CHEMBL272485,50371946,DIBUTYL PHTHALATE,34687,3026,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",DOIRQSBPFJWKBE-UHFFFAOYSA-N
DB13717,26002-80-2,Phenothrin,experimental,,"['P03AC03', 'P03AC53']",,33303,,,4686,,CHEMBL1322884,,,34916,4767,CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C,"InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3",SBNFWQZLDJGRLK-UHFFFAOYSA-N
DB13718,522-66-7,Hydroquinine,experimental,,M09AA01,,2468435,,,4570,ZINC000000389626,CHEMBL588934,,,135994,121515,CC[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1,"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1",LJOQGZACKSYWCH-WZBLMQSHSA-N
DB13719,7077-34-1,Trolnitrate,experimental,,"['C01DA09', 'C01DA59']",,,,,2770,ZINC000032709512,CHEMBL2111164,,,135172,11499,O=N(=O)OCCN(CCON(=O)=O)CCON(=O)=O,InChI=1S/C6H12N4O9/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16/h1-6H2,HWKQNAWCHQMZHK-UHFFFAOYSA-N
DB13720,15394-62-4,Diphemanil,"['withdrawn', 'vet_approved', 'approved']",,"['A03CA08', 'A03AB15']",,89782,,,,ZINC000001482039,CHEMBL1201340,74260,,93636,6127,C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1",LCTZPQRFOZKZNK-UHFFFAOYSA-N
DB13721,52315-07-8,Cypermethrin,experimental,,P03BA02,,,,,4409,,CHEMBL373204,,ALPHA-CYPERMETHRIN,4042,2912,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1,"InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",KAATUXNTWXVJKI-UHFFFAOYSA-N
DB13722,31793-07-4,Pirprofen,experimental,,M01AE08,,,,,2213,,CHEMBL188952,,,135028,35935,CC(C(O)=O)C1=CC(Cl)=C(C=C1)N1CC=CC1,"InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)",PIDSZXPFGCURGN-UHFFFAOYSA-N
DB13723,76144-81-5,Meldonium,experimental,,C01EB22,,,,,3995,,CHEMBL2104708,50007906,MELDONIUM,131843,123868,C[N+](C)(C)NCCC([O-])=O,"InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3",PVBQYTCFVWZSJK-UHFFFAOYSA-N
DB13724,4936-47-4,Nifuratel,experimental,,G01AX05,,7419,,,1926,,CHEMBL514315,,,135180,6433427,CSCC1CN(\N=C\C2=CC=C(O2)[N+]([O-])=O)C(=O)O1,"InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+",SRQKTCXJCCHINN-NYYWCZLTSA-N
DB13725,15793-40-5,Terodiline,experimental,,G04BD05,,37815,PA165817950,,2603,,CHEMBL363295,50151868,,135168,23480,CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C)(C)C,"InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3",UISARWKNNNHPGI-UHFFFAOYSA-N
DB13726,57-67-0,Sulfaguanidine,experimental,,A07AB03,,10174,,,2505,ZINC000003873927,CHEMBL338802,50027795,,94621,5324,NC(=N)NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)",BRBKOPJOKNSWSG-UHFFFAOYSA-N
DB13727,146-36-1,Azapetine,experimental,,C04AX30,,,,,265,ZINC000001481977,CHEMBL2110596,81805,,134955,8966,C=CCN1CC2=CC=CC=C2C2=CC=CC=C2C1,"InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2",NYGHGTMKALXFIA-UHFFFAOYSA-N
DB13728,50629-82-8,Halometasone,experimental,,D07AC12,,26416,,,1352,ZINC000003938673,CHEMBL1587228,,HALOMETASONE,135724,9846332,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1",GGXMRPUKBWXVHE-MIHLVHIWSA-N
DB13729,59721-28-7,Camostat,experimental,"['143965', '3562444', '27408783', '8165824', '32142651', '15877292', '22038264', '7341342']",B02AB04,,,,,471,ZINC000003871842,CHEMBL590799,50031706,CAMOSTAT,135632,2536,CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1,"InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)",XASIMHXSUQUHLV-UHFFFAOYSA-N
DB13730,1088-92-2,Nifurtoinol,experimental,,J01XE02,,,,,1930,ZINC000001482118,CHEMBL1697763,,,88255,9571062,OCN1C(=O)CN(\N=C\C2=CC=C(O2)[N+]([O-])=O)C1=O,"InChI=1S/C9H8N4O6/c14-5-11-7(15)4-12(9(11)16)10-3-6-1-2-8(19-6)13(17)18/h1-3,14H,4-5H2/b10-3+",UIDWQGRXEVDFCA-XCVCLJGOSA-N
DB13731,18109-80-3,Butamirate,experimental,,R05DB13,,19862,,,442,,CHEMBL1332546,,BUTAMIRATE CITRATE,135310,28892,CCC(C(=O)OCCOCCN(CC)CC)C1=CC=CC=C1,"InChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3",DDVUMDPCZWBYRA-UHFFFAOYSA-N
DB13732,133-51-7,Meglumine antimoniate,"['experimental', 'investigational']",,P01CB01,,319866,,,,,,,,,64953,O[Sb](=O)=O.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C7H17NO5.H2O.2O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;1H2;;;/q;;;;+1/p-1/t4-,5+,6+,7+;;;;/m0..../s1",XOGYVDXPYVPAAQ-SESJOKTNSA-M
DB13733,77-75-8,Methylpentynol,experimental,,"['N05CM15', 'N05CX03']",,,,,1687,,CHEMBL501613,,,134752,6494,CCC(C)(O)C#C,"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3",QXLPXWSKPNOQLE-UHFFFAOYSA-N
DB13734,1322-20-9,Biphenylol,experimental,,D08AE06,,,,,,,,,,,,,,
DB13735,1321-14-8,Potassium guaiacolsulfonate,experimental,,,,91275,,,,,,,,,,,,
DB13736,4846-91-7,Fenoxazoline,experimental,,R01AA12,,24856,,,3225,ZINC000000001437,CHEMBL14012,50473145,,134903,71899,CC(C)C1=CC=CC=C1OCC1=NCCN1,"InChI=1S/C13H18N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)",GFYSWQDCHLWRMQ-UHFFFAOYSA-N
DB13737,52-31-3,Cyclobarbital,experimental,,N05CA10,,2978,,,750,ZINC000005651565,CHEMBL268164,,,134957,5838,CCC1(C(=O)NC(=O)NC1=O)C1=CCCCC1,"InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)",WTYGAUXICFETTC-UHFFFAOYSA-N
DB13738,54-30-8,Camylofin,experimental,,"['A03AA03', 'A03DA05']",,20136,,,472,,CHEMBL253592,50237286,,95216,5902,CCN(CC)CCNC(C(=O)OCCC(C)C)C1=CC=CC=C1,"InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3",RYOOHIUJEJZCFT-UHFFFAOYSA-N
DB13739,983-85-7,Penamecillin,experimental,4959939,J01CE06,D05406,,,,2077,ZINC000004217248,CHEMBL2106988,,,131733,10250769,[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@@]2([H])NC(=O)CC1=CC=CC=C1)C(=O)OCOC(C)=O,"InChI=1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1",NLOOMWLTUVBWAW-HLLBOEOZSA-N
DB13740,64-65-3,Bemegride,experimental,,R07AB05,,,,,3013,ZINC000001688939,CHEMBL1214192,,,92269,2310,CCC1(C)CC(=O)NC(=O)C1,"InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)",ORRZGUBHBVWWOP-UHFFFAOYSA-N
DB13741,2618-25-9,Ioglycamic acid,experimental,,V08AC03,,,,,3306,,CHEMBL2106372,,,135902,17477,OC(=O)C1=C(I)C(NC(=O)COCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I,"InChI=1S/C18H10I6N2O7/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)",FZDZULUFHNDEDJ-UHFFFAOYSA-N
DB13742,60731-46-6,Elcatonin,experimental,,H05BA04,,,,,994,,,,,,53395169,,,
DB13743,33614-49-2,Sodium aurotiosulfate,"['experimental', 'approved']",,M01CB02,,,,,,,,,,,129633148,O.O.[Na+].[Na+].[Na+].[Au+].[O-]S([S-])(=O)=O.[O-]S([S-])(=O)=O,"InChI=1S/Au.3Na.2H2O3S2.2H2O/c;;;;2*1-5(2,3)4;;/h;;;;2*(H2,1,2,3,4);2*1H2/q4*+1;;;;/p-4",KZNBHWLDPGWJMM-UHFFFAOYSA-J
DB13744,19562-30-2,Piromidic acid,experimental,,J01MB03,,,,,2209,ZINC000000057461,CHEMBL311350,,,32019,4855,CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCCC1,"InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)",RCIMBBZXSXFZBV-UHFFFAOYSA-N
DB13745,49564-56-9,Fazadinium bromide,experimental,,M03AC08,,,,,,,CHEMBL1697835,,,,6321422,[Br-].[Br-].CC1=C(N(\N=N\N2C3=CC=CC=[N+]3C(C)=C2C2=CC=CC=C2)C2=CC=CC=[N+]12)C1=CC=CC=C1,"InChI=1S/C28H24N6.2BrH/c1-21-27(23-13-5-3-6-14-23)33(25-17-9-11-19-31(21)25)29-30-34-26-18-10-12-20-32(26)22(2)28(34)24-15-7-4-8-16-24;;/h3-20H,1-2H3;2*1H/q+2;;/p-2/b30-29+;;",LBOZSXSPRGACHC-NFOZGECASA-L
DB13746,584-79-2,Bioallethrin,"['experimental', 'approved']","['8841090', '2422664', '2881709', '18948380', '7135402', '789062', '14634047', '20881019']","['P03AC02', 'P03AC52']",,19338,,,,,CHEMBL1872535,,,34572,11442,,,
DB13747,102-71-6,Trolamine,approved,23696578,D03AX12,D00215,38623,,211,2768,ZINC000000896409,CHEMBL446061,,TRIETHANOLAMINE,28621,7618,OCCN(CCO)CCO,"InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2",GSEJCLTVZPLZKY-UHFFFAOYSA-N
DB13748,30986-62-0,Tidiacic arginine,experimental,,A05BA07,,,,,,,CHEMBL3707384,,,,161685,OC(=O)C1CSC(N1)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O2.C5H7NO4S/c7-4(5(11)12)2-1-3-10-6(8)9;7-4(8)2-1-11-3(6-2)5(9)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,6H,1H2,(H,7,8)(H,9,10)/t4-;/m0./s1",LUCWYYXUZVULSK-WCCKRBBISA-N
DB13749,59625-89-7,Magnesium gluconate,"['approved', 'investigational']","['16548135', '18568054', '24696187', '9642379', '26404370', '9610075']",A12CC03,,52358,,,,,CHEMBL3989640,,,,91886357,O.O.[Mg++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,"InChI=1S/2C6H12O7.Mg.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-;;;/m11.../s1",HJWFTNWQKDPLAS-SYAJEJNSSA-L
DB13750,7683-36-5,Obidoxime,experimental,,V03AB13,,42826,,OBI,4676,ZINC000011681703,CHEMBL451635,50005579,OBIDOXIME,,8251,O\N=C\C1=CC=[N+](COC[N+]2=CC=C(\C=N\O)C=C2)C=C1,"InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2",HIGRLDNHDGYWQJ-UHFFFAOYSA-P
DB13751,1405-86-3,Glycyrrhizic acid,"['experimental', 'approved']","['24963489', '1432618', '10652246', '3378305', '23678825', '11495500', '8191540']",A05BA08,D00157,26143,,,1325,ZINC000096015174,CHEMBL441687,50185127,DIPOTASSIUM GLYCYRRHIZINATE,15939,14982,[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1",LPLVUJXQOOQHMX-QWBHMCJMSA-N
DB13752,7696-12-0,Tetramethrin,experimental,,P03BA04,,,,,4730,,CHEMBL1788386,,,39397,83975,CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C,"InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3",CXBMCYHAMVGWJQ-UHFFFAOYSA-N
DB13753,14176-10-4,Cetiedil,experimental,,C04AX26,,20609,,,580,,CHEMBL419380,,,34619,66384,O=C(OCCN1CCCCCC1)C(C1CCCCC1)C1=CSC=C1,"InChI=1S/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2",MMNICIJVQJJHHF-UHFFFAOYSA-N
DB13754,70-07-5,Mephenoxalone,experimental,,N05BX01,,,,,1693,,CHEMBL2104790,,MEPHENOXALONE,134916,6257,COC1=C(OCC2CNC(=O)O2)C=CC=C1,"InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)",ZMNSRFNUONFLSP-UHFFFAOYSA-N
DB13755,10397-75-8,Iocarmic acid,experimental,,V08AA08,,,,,1450,,CHEMBL2106389,,,31702,25229,CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C(C(O)=O)=C(I)C(C(=O)NC)=C2I)=C1I,"InChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)",SMQYOVYWPWASGU-UHFFFAOYSA-N
DB13756,1182-87-2,Peruvoside,experimental,,C01AX02,,,,,3809,,CHEMBL1075790,,,135825,12314120,CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1O,"InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1",PMTSPAGBAFCORP-HBUONDEYSA-N
DB13757,86880-51-5,Epanolol,experimental,1968755,C07AB10,D06646,,,,4467,,CHEMBL87697,50239977,,4800,72014,OC(CNCCNC(=O)CC1=CC=C(O)C=C1)COC1=CC=CC=C1C#N,"InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)",YARKMNAWFIMDKV-UHFFFAOYSA-N
DB13758,51-68-3,Meclofenoxate,experimental,,N06BX01,,2228,,,1651,ZINC000001531029,CHEMBL64545,,CETREXIN,6712,4039,CN(C)CCOC(=O)COC1=CC=C(Cl)C=C1,"InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3",XZTYGFHCIAKPGJ-UHFFFAOYSA-N
DB13759,258329-46-3,Fenpiverinium,experimental,,A03AB21,,,,,1160,ZINC000000001439,CHEMBL1884833,,FENPIVERINIUM,94773,71490,C[N+]1(CCC(C(N)=O)(C2=CC=CC=C2)C2=CC=CC=C2)CCCCC1,"InChI=1S/C22H28N2O/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25)/p+1",QDIYJDPBMZUZEH-UHFFFAOYSA-O
DB13760,84845-75-0,Niperotidine,"['experimental', 'investigational']",,A02BA05,,,,,4002,,CHEMBL4297186,,,135706,66753191,CN(C)CC1=CC=C(CSCCNC(NCC2=CC=C3OCOC3=C2)=C[N+]([O-])=O)O1,"InChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3",HXRSXEDVVARPHP-UHFFFAOYSA-N
DB13761,9031-11-2,Tilactase,"['experimental', 'approved']","['2502573', '19021701', '26715083', '26396367', '23688418']",A09AA04,,41397,,,,,,,,,,,,
DB13762,177795-60-7,Dexrabeprazole,experimental,,A02BC07,,,,RZX,4867,ZINC000001530935,CHEMBL1615209,50409892,DEXRABEPRAZOLE,134729,9906855,COCCCOC1=CC=NC(C[S@@](=O)C2=NC3=CC=CC=C3N2)=C1C,"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1",YREYEVIYCVEVJK-RUZDIDTESA-N
DB13763,27279-43-2,Aurotioprol,experimental,,M01CB05,,,,,,,,,,,10452965,[Na+].[Au+].OC(C[S-])CS([O-])(=O)=O,"InChI=1S/C3H8O4S2.Au.Na/c4-3(1-8)2-9(5,6)7;;/h3-4,8H,1-2H2,(H,5,6,7);;/q;2*+1/p-2",KBWWFTIQBJUOQR-UHFFFAOYSA-L
DB13764,23869-24-1,Monoxerutin,experimental,,C05CA02,D07179,,,,1835,ZINC000003914982,CHEMBL3527416,,,134704,9852585,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1",MBHXKZDTQCSVPM-BDAFLREQSA-N
DB13765,7487-94-7,Mercuric chloride,experimental,,D08AK03,D01905,1311634,,,4787,,,,,31823,139036534,Cl[Hg]Cl,InChI=1S/2ClH.Hg/h2*1H;/q;;+2/p-2,LWJROJCJINYWOX-UHFFFAOYSA-L
DB13766,3416-26-0,Lidoflazine,"['experimental', 'approved']",,C08EX01,,6390,PA165818137,,1580,ZINC000022034381,CHEMBL92870,23619,,93095,3926,CC1=CC=CC(C)=C1NC(=O)CN1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1,"InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)",ZBIAKUMOEKILTF-UHFFFAOYSA-N
DB13767,129731-10-8,Vorozole,experimental,,L02BG05,,,,,3651,ZINC000003791538,CHEMBL224060,50378780,,135387,6918191,CN1N=NC2=CC=C(C=C12)[C@@H](N1C=NC=N1)C1=CC=C(Cl)C=C1,"InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1",XLMPPFTZALNBFS-INIZCTEOSA-N
DB13768,61869-07-6,Domiodol,experimental,,R05CB08,,,,,944,,CHEMBL2106471,,,134992,43814,OCC1COC(CI)O1,"InChI=1S/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2",NEIPZWZQHXCYDV-UHFFFAOYSA-N
DB13769,5982-52-5,Emetonium iodide,experimental,,A03AB16,,,,,4327,,CHEMBL3707204,,,,80084,[I-].CC[N+](C)(CC)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H28NO.HI/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1",HKOZYKMXXBHEHT-UHFFFAOYSA-M
DB13770,2430-49-1,Vinylbital,experimental,,N05CA08,,19928,,,2829,,CHEMBL2105552,,,134922,72135,CCCC(C)C1(C=C)C(=O)NC(=O)NC1=O,"InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)",KGKJZEKQJQQOTD-UHFFFAOYSA-N
DB13771,52031-09-1,Ferric sodium citrate,experimental,,B03AB01,,,,,,,,,,,76957760,[Na+].[Fe+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O,"InChI=1S/C6H7O7.Fe.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q-1;+3;+1/p-3",XJDIIQYURGDWCL-UHFFFAOYSA-K
DB13772,101363-10-4,Rufloxacin,experimental,16856014,J01MA10,D02474,,,,2412,ZINC000000538328,CHEMBL295619,,,8909,4979271,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3CCSC1=C23)C(O)=O,"InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)",NJCJBUHJQLFDSW-UHFFFAOYSA-N
DB13773,80-35-3,Sulfamethoxypyridazine,experimental,,J01ED05,,10181,,,2515,ZINC000000049141,CHEMBL268869,,,102516,5330,COC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)C=C1,"InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",VLYWMPOKSSWJAL-UHFFFAOYSA-N
DB13774,16287-71-1,Myristalkonium,experimental,,R02AA10,,1370587,,,,ZINC000038141586,CHEMBL1180074,50147575,,,8756,CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1,"InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1",WNBGYVXHFTYOBY-UHFFFAOYSA-N
DB13775,83688-84-0,Tertatolol,experimental,,C07AA16,,37840,,,2605,,CHEMBL434200,50280934,,135244,36920,CC(C)(C)NCC(O)COC1=CC=CC2=C1SCCC2,"InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3",HTWFXPCUFWKXOP-UHFFFAOYSA-N
DB13776,611-53-0,Ibacitabine,experimental,,D06BB08,,,,,4572,ZINC000017174212,CHEMBL2104340,,,135996,65050,NC1=NC(=O)N(C=C1I)[C@H]1C[C@H](O)[C@@H](CO)O1,"InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1",WEVJJMPVVFNAHZ-RRKCRQDMSA-N
DB13777,57526-81-5,Prenalterol,experimental,,C01CA13,,,,,2258,ZINC000000897007,CHEMBL1160714,50421716,,8391,42396,CC(C)NC[C@H](O)COC1=CC=C(O)C=C1,"InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1",ADUKCCWBEDSMEB-NSHDSACASA-N
DB13778,56187-47-4,Cefazedone,experimental,,J01DB06,,,,,3071,ZINC000001567521,CHEMBL2107636,,,131731,71736,CC1=NN=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CN2C=C(Cl)C(=O)C(Cl)=C2)C3=O)C(O)=O)S1,"InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1",VTLCNEGVSVJLDN-MLGOLLRUSA-N
DB13779,5001-32-1,Guanoclor,experimental,,C02CC05,,,,,4564,ZINC000001598139,CHEMBL2110641,,,135992,71835,NC(=N)NNCCOC1=C(Cl)C=CC=C1Cl,"InChI=1S/C9H12Cl2N4O/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)",XIHXRRMCNSMUET-UHFFFAOYSA-N
DB13780,24818-79-9,Aluminium clofibrate,experimental,,C10AB03,,,,,,,CHEMBL3833336,,,31194,10390009,[OH-].[Al+3].CC(C)(OC1=CC=C(Cl)C=C1)C([O-])=O.CC(C)(OC1=CC=C(Cl)C=C1)C([O-])=O,"InChI=1S/2C10H11ClO3.Al.H2O/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;/h2*3-6H,1-2H3,(H,12,13);;1H2/q;;+3;/p-3",USWVMPGQVYZHCA-UHFFFAOYSA-K
DB13781,81801-12-9,Xamoterol,approved,"['2572251', '2572252']",C01CX07,D06328,39801,,,2848,,CHEMBL75753,50248358,,10055,155774,OC(CNCCNC(=O)N1CCOCC1)COC1=CC=C(O)C=C1,"InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)",DXPOSRCHIDYWHW-UHFFFAOYSA-N
DB13782,6829-98-7,Imipramine oxide,experimental,,N06AA03,,,,,3295,ZINC000000001557,CHEMBL1614644,,,135256,65589,CN(C)(=O)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12,"InChI=1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3",QZIQORUGXBPDSU-UHFFFAOYSA-N
DB13783,53164-05-9,Acemetacin,"['approved', 'investigational']","['7191306', '6193370', '1888622', '6587139', '6968219']",M01AB11,D01582,16695,PA166049184,,47,ZINC000000601272,CHEMBL189171,50336272,RANTUDIL,31162,1981,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(=O)OCC(O)=O,"InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)",FSQKKOOTNAMONP-UHFFFAOYSA-N
DB13784,2470-73-7,Dixyrazine,experimental,,N05AB01,,,,,933,,CHEMBL3275586,50497152,,135695,17182,CC(CN1CCN(CCOCCO)CC1)CN1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3",MSYUMPGNGDNTIQ-UHFFFAOYSA-N
DB13785,17692-31-8,Dropropizine,experimental,,R05DB19,,23419,,,967,,CHEMBL151445,,DROPROPIZINE,93837,3169,OCC(O)CN1CCN(CC1)C1=CC=CC=C1,"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2",PTVWPYVOOKLBCG-UHFFFAOYSA-N
DB13786,34717-03-8,Magnesium orotate,experimental,"['15523949', '16366126', '9794088']",A12CC09,,139233,,,,,CHEMBL3707282,,MAGNESIUM OROTATE,,3036905,[Mg++].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C1=CC(=O)NC(=O)N1,"InChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",QWLHYYKDLOVBNV-UHFFFAOYSA-L
DB13787,51931-66-9,Tilidine,experimental,,N02AX01,,10597,,,2663,ZINC000002014722,,,,77822,30131,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C1=CC=CC=C1,"InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1",WDEFBBTXULIOBB-WBVHZDCISA-N
DB13788,522-18-9,Chlorbenzoxamine,experimental,,A03AX03,,,,,3090,,CHEMBL2110781,,,135708,71636,CC1=CC=CC=C1CN1CCN(CCOC(C2=CC=CC=C2)C2=CC=CC=C2Cl)CC1,"InChI=1S/C27H31ClN2O/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28/h2-14,27H,15-21H2,1H3",VEVSKUJZSMGTMM-UHFFFAOYSA-N
DB13789,15930-12-8,Aluminium acetotartrate,experimental,,S02AA04,,46239,,,,,,,,,76968033,[Al+3].CC([O-])=O.O[C@H]([C@@H](O)C([O-])=O)C([O-])=O,"InChI=1S/C4H6O6.C2H4O2.Al/c5-1(3(7)8)2(6)4(9)10;1-2(3)4;/h1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);/q;;+3/p-3/t1-,2-;;/m1../s1",KQVRYPWCDUCYPZ-OLXYHTOASA-K
DB13790,34161-24-5,Fipexide,experimental,,N06BX05,,,,,1172,ZINC000019632822,CHEMBL254857,,,94598,3351,ClC1=CC=C(OCC(=O)N2CCN(CC3=CC4=C(OCO4)C=C3)CC2)C=C1,"InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2",BFUJHVVEMMWLHC-UHFFFAOYSA-N
DB13791,26864-56-2,Penfluridol,experimental,,N05AG03,,7974,,,2080,ZINC000004217252,CHEMBL47050,50026066,,92278,33630,OC1(CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F,"InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2",MDLAAYDRRZXJIF-UHFFFAOYSA-N
DB13792,636-54-4,Clopamide,experimental,3621784,"['C03BB03', 'C03BA03']",,2603,,,706,ZINC000018847050,CHEMBL1605650,,,94521,12492,C[C@H]1CCC[C@@H](C)N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O,"InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+",LBXHRAWDUMTPSE-AOOOYVTPSA-N
DB13793,4880-88-0,Vinburnine,experimental,,C04AX17,,57954,,,2824,ZINC000019796061,CHEMBL1892145,,,4740,71203,[H][C@]12N3CCC[C@@]1(CC)CC(=O)N1C4=CC=CC=C4C(CC3)=C21,"InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1",WYJAPUKIYAZSEM-MOPGFXCFSA-N
DB13794,477-93-0,Dimethoxanate,experimental,,R05DB28,,121069,,,905,ZINC000001678301,CHEMBL2110862,,,135517,10610,CN(C)CCOCCOC(=O)N1C2=CC=CC=C2SC2=CC=CC=C12,"InChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3",OOVJCSPCMCAXEX-UHFFFAOYSA-N
DB13795,56518-41-3,Brodimoprim,experimental,,J01EA02,D07238,19727,,,398,ZINC000000005824,CHEMBL31891,50027970,,131726,68760,COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1Br,"InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)",BFCRRLMMHNLSCP-UHFFFAOYSA-N
DB13796,14992-58-6,Dibunate,experimental,,R05DB16,,402565,,,,ZINC000004214320,CHEMBL1865134,,,146215,84746,CC(C)(C)C1=CC=C2C(C=CC(=C2S(O)(=O)=O)C(C)(C)C)=C1,"InChI=1S/C18H24O3S/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21/h7-11H,1-6H3,(H,19,20,21)",WBEBQCINXJDZCX-UHFFFAOYSA-N
DB13797,42220-21-3,Iodocholesterol (131I),experimental,,V09XA02,,,,,4578,ZINC000118913216,CHEMBL2105011,,,135998,450510,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C[131I])[C@H]3CC[C@]12C,"InChI=1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1/i28+4",FIOAEFCJGZJUPW-ODFYUTSGSA-N
DB13798,113-78-0,Demoxytocin,experimental,,H01BB01,,,,,3126,,CHEMBL439044,50044676,,135900,449224,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O,"InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1",GTYWGUNQAMYZPF-QPLNMOKZSA-N
DB13799,520-77-4,Ethadione,experimental,,N03AC03,,,,,1072,ZINC000001634341,CHEMBL93047,,,81296,10630,CCN1C(=O)OC(C)(C)C1=O,"InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3",SIGSNYAYBSJATD-UHFFFAOYSA-N
DB13800,591-64-0,Calcium levulinate,"['experimental', 'approved']","['22453954', '24422133']",A12AA30,,47624,,,,,,,,81717,53297379,[Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O,"InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2",APKDPOQXVKRLEP-UHFFFAOYSA-L
DB13801,55294-15-0,Muzolimine,"['withdrawn', 'approved']",,C03CD01,,,,,1858,,CHEMBL1697760,,,135124,41386,CC(N1N=C(N)CC1=O)C1=CC(Cl)=C(Cl)C=C1,"InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)",RLWRMIYXDPXIEX-UHFFFAOYSA-N
DB13802,1310101-21-3,Epomediol,experimental,,A05BA05,,24263,,,,,,,,,,CC1(C)O[C@@]2(C)[C@@H](O)C[C@@H]1C[C@H]2O,"InChI=1S/C10H18O3/c1-9(2)6-4-7(11)10(3,13-9)8(12)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8-,10+",JSNQSLSBBZFGBM-UICFKRDXSA-N
DB13803,14293-44-8,Xipamide,experimental,,C03BA10,,11371,,,2853,ZINC000000538538,CHEMBL517199,,,135499,26618,CC1=CC=CC(C)=C1NC(=O)C1=CC(=C(Cl)C=C1O)S(N)(=O)=O,"InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)",MTZBBNMLMNBNJL-UHFFFAOYSA-N
DB13804,6336-50-1,Benzylthiouracil,experimental,,H03BA03,,19084,,,339,ZINC000008580452,CHEMBL1491306,,,134902,685814,O=C1NC(=S)NC(CC2=CC=CC=C2)=C1,"InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)",PNXBXCRWXNESOV-UHFFFAOYSA-N
DB13805,3625-25-0,Reposal,experimental,"['14103836', '5756387', '14103837']",N05CA12,,,,,3824,,CHEMBL505851,,,135079,19254,CCC1(C(=O)NC(=O)NC1=O)C1=CC2CCC(C2)C1,"InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)",MKELYWOVSPVORM-UHFFFAOYSA-N
DB13806,105431-72-9,Linopirdine,experimental,,N06BX09,,,,FCC,4588,ZINC000000537908,CHEMBL319111,,,34823,3932,O=C1N(C2=CC=CC=C2C1(CC1=CC=NC=C1)CC1=CC=NC=C1)C1=CC=CC=C1,"InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2",YEJCDKJIEMIWRQ-UHFFFAOYSA-N
DB13807,5334-23-6,Tisopurine,experimental,,M04AA02,,38136,,,2682,ZINC000004353300,CHEMBL119423,,,134776,135445058,S=C1N=CNC2=C1C=NN2,"InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",PYAOPMWCFSVFOT-UHFFFAOYSA-N
DB13808,524-81-2,Mebhydrolin,experimental,,R06AX15,,29411,,,1643,ZINC000000001651,CHEMBL1625607,,,135144,22530,CN1CCC2=C(C1)C1=CC=CC=C1N2CC1=CC=CC=C1,"InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3",FQQIIPAOSKSOJM-UHFFFAOYSA-N
DB13809,263351-82-2,Paclitaxel poliglumex,"['experimental', 'investigational']",,L01CD03,,2473230,,,,,,,,,,,,
DB13810,36309-01-0,Dimemorfan,experimental,,R05DA11,,,,,900,ZINC000004215661,CHEMBL2106325,,DIMEMORFAN,135048,3037918,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC1=CC=C(C)C=C31,"InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1",KBEZZLAAKIIPFK-NJAFHUGGSA-N
DB13811,190977-41-4,Oblimersen,"['experimental', 'investigational']",,L01XX36,,,,,,,,,,,,,,
DB13812,5634-34-4,Bufylline,experimental,,R03DA10,,,,,,,CHEMBL2104089,,,,21850,CC(C)(N)CO.CN1C2=C(N=CN2)C(=O)N(C)C1=O,"InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3",SEIRRUDMPNNSCY-UHFFFAOYSA-N
DB13813,75-47-8,Iodoform,"['vet_approved', 'experimental', 'approved']","['5768872', '19089027', '22791151', '23372860', '23123069']",D09AA13,D01910,27748,,,4579,ZINC000006827595,CHEMBL1451116,,IODOFORM,37758,6374,[H]C(I)(I)I,InChI=1S/CHI3/c2-1(3)4/h1H,OKJPEAGHQZHRQV-UHFFFAOYSA-N
DB13814,47747-56-8,Talampicillin,experimental,,J01CA15,,10322,,,2554,,CHEMBL1619785,,,9391,71447,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)OC1OC(=O)C2=CC=CC=C12,"InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1",SOROUYSPFADXSN-SUWVAFIASA-N
DB13815,3572-52-9,Xenysalate,experimental,,D11AC09,,,,,3027,ZINC000001999340,CHEMBL2110895,,,135341,21720,CCN(CC)CCOC(=O)C1=CC=CC(=C1O)C1=CC=CC=C1,"InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3",HLDCSYXMVXILQC-UHFFFAOYSA-N
DB13816,63358-49-6,Aspoxicillin,experimental,,J01CA19,D07469,,,,248,ZINC000003871610,CHEMBL1318150,,DOYLE,31240,71961,CNC(=O)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)C1=CC=C(O)C=C1,"InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1",BHELIUBJHYAEDK-OAIUPTLZSA-N
DB13817,77-65-6,Carbromal,experimental,,N05CM04,,2067,,,504,ZINC000000001093,CHEMBL1697828,,,134961,6488,CCC(Br)(CC)C(=O)NC(N)=O,"InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)",OPNPQXLQERQBBV-UHFFFAOYSA-N
DB13818,6915-57-7,Bibrocathol,experimental,,S01AX05,,,,,4352,,,,,135953,10100751,[OH-].[Bi+3].[O-]C1=C([O-])C(Br)=C(Br)C(Br)=C1Br,InChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3,VTAVFIZOZUAKKE-UHFFFAOYSA-K
DB13819,5696-09-3,Proxazole,experimental,,A03AX07,,,,,2321,,CHEMBL2106997,,,135191,8590,CCC(C1=NOC(CCN(CC)CC)=N1)C1=CC=CC=C1,"InChI=1S/C17H25N3O/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3",OLTAWOVKGWWERU-UHFFFAOYSA-N
DB13820,3689-50-7,Oxomemazine,experimental,,R06AD08,,,,,2025,,CHEMBL2104734,,OXOMEMAZINE,135408,19396,CC(CN(C)C)CN1C2=CC=CC=C2S(=O)(=O)C2=CC=CC=C12,"InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",QTQPVLDZQVPLGV-UHFFFAOYSA-N
DB13821,26973-24-0,Ceftezole,experimental,,J01DB12,,,,,561,ZINC000003830473,CHEMBL1697829,,,135716,65755,OC(=O)C1=C(CSC2=NN=CS2)CS[C@@H]2[C@H](NC(=O)CN3C=NN=N3)C(=O)N12,"InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1",DZMVCVMFETWNIU-LDYMZIIASA-N
DB13822,4295-63-0,Meprotixol,experimental,,R05DB22,,,,,4656,,CHEMBL2105167,,,134748,71195,COC1=CC2=C(SC3=CC=CC=C3C2(O)CCCN(C)C)C=C1,"InChI=1S/C19H23NO2S/c1-20(2)12-6-11-19(21)15-7-4-5-8-17(15)23-18-10-9-14(22-3)13-16(18)19/h4-5,7-10,13,21H,6,11-12H2,1-3H3",LAYVFLWAVIGDLK-UHFFFAOYSA-N
DB13823,51940-44-4,Pipemidic acid,experimental,,J01MB04,,8337,,,2184,ZINC000000057466,CHEMBL30116,,,75250,4831,CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1,"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)",JOHZPMXAZQZXHR-UHFFFAOYSA-N
DB13824,73121-56-9,Enprostil,experimental,,A02BB02,,,,,1016,,,,,31538,9978336,COC(=O)CCC=C=CC[C@H]1[C@H](\C=C\[C@H](O)COC2=CC=CC=C2)[C@@H](O)CC1=O,"InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,22-/m0/s1",PTOJVMZPWPAXER-FPXSIRDUSA-N
DB13825,23271-74-1,Fedrilate,experimental,,R05DB14,,235961,,,1139,,CHEMBL2104591,,,135468,31796,CC(CCN1CCOCC1)OC(=O)C1(CCOCC1)C1=CC=CC=C1,"InChI=1S/C20H29NO4/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18/h2-6,17H,7-16H2,1H3",RDEOYUSTRWNWLX-UHFFFAOYSA-N
DB13826,94-96-2,Etohexadiol,experimental,,P03BX06,,1362891,,,4774,,CHEMBL1451179,,,34273,7211,CCCC(O)C(CC)CO,"InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3",RWLALWYNXFYRGW-UHFFFAOYSA-N
DB13827,40507-78-6,Indanazoline,experimental,,R01AA15,,27492,,,3298,ZINC000000001563,CHEMBL2104824,,,134863,65979,C1CC2=C(C1)C(NC1=NCCN1)=CC=C2,"InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)",KUCWWEPJRBANHL-UHFFFAOYSA-N
DB13828,68359-37-5,Cyfluthrin,experimental,,P03BA01,,,,,4407,,CHEMBL2104608,,,4034,104926,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1,"InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3",QQODLKZGRKWIFG-UHFFFAOYSA-N
DB13829,1344-95-2,Calcium silicate,experimental,,A02AC02,,1311526,,,,,,,,,73415800,[Ca++].O[Si](O)(O)[O-].O[Si](O)(O)[O-],"InChI=1S/Ca.2H3O4Si/c;2*1-5(2,3)4/h;2*1-3H/q+2;2*-1",LECAAGVQUHQAJK-UHFFFAOYSA-N
DB13830,,Copper usnate,experimental,,G01AX15,,,,,,,,,,,46222573,[Cu++].CC(=O)C1C(=O)C=C2OC3=C(C(C)=O)C([O-])=C(C)C([O-])=C3C2(C)C1=O,"InChI=1S/C18H16O7.Cu/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,11,22-23H,1-4H3;/q;+2/p-2",BJKWDVRCNOATJS-UHFFFAOYSA-L
DB13831,7722-64-7,Potassium permanganate,"['experimental', 'investigational']",,"['D08AX06', 'V03AB18']",,8604,,,,,,,,,516875,[K+].[O-][Mn](=O)(=O)=O,InChI=1S/K.Mn.4O/q+1;;;;;-1,VZJVWSHVAAUDKD-UHFFFAOYSA-N
DB13832,58994-96-0,Ranimustine,experimental,,L01AD07,D01760,,,,3519,ZINC000003812866,CHEMBL2105348,,RANIMUSTINE,32089,71741,CO[C@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C10H18ClN3O7/c1-20-9-8(17)7(16)6(15)5(21-9)4-12-10(18)14(13-19)3-2-11/h5-9,15-17H,2-4H2,1H3,(H,12,18)/t5-,6-,7+,8-,9+/m1/s1",AHHFEZNOXOZZQA-ZEBDFXRSSA-N
DB13833,31610-87-4,Methylatropine,experimental,,A03BB02,,,,,4660,,CHEMBL1187724,,TROPIN,,,C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1,"InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16+,17?",PIPAJLPNWZMYQA-KNCRFDSUSA-N
DB13834,8017-88-7,Phenylmercuric borate,experimental,,D08AK02,,,,,,,,,,,53384581,[OH-].OB(O)[O-].[Hg+]C1=CC=CC=C1.[Hg+]C1=CC=CC=C1,InChI=1S/2C6H5.BH2O3.2Hg.H2O/c2*1-2-4-6-5-3-1;2-1(3)4;;;/h2*1-5H;2-3H;;;1H2/q;;-1;2*+1;/p-1,OASPSZUQLPQSSC-UHFFFAOYSA-M
DB13835,23465-76-1,Caroverine,experimental,,A03AX11,,,,,514,ZINC000004212360,CHEMBL1729803,,CAROVERINE,135541,65709,CCN(CC)CCN1C(=O)C(CC2=CC=C(OC)C=C2)=NC2=CC=CC=C12,"InChI=1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3",MSPRUJDUTKRMLM-UHFFFAOYSA-N
DB13836,6489-97-0,Metampicillin,experimental,,J01CA14,D07234,29629,,,1718,ZINC000003874216,CHEMBL1908324,50370588,,52060,6713928,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=C)C1=CC=CC=C1)C(O)=O,"InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1",FZECHKJQHUVANE-MCYUEQNJSA-N
DB13837,40762-15-0,Doxefazepam,experimental,,N05CD12,D07327,,,,955,,CHEMBL64677,,,82460,38668,OCCN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1F,"InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2",VOJLELRQLPENHL-UHFFFAOYSA-N
DB13838,15599-39-0,Noxytiolin,approved,1628340,B05CA07,,7543,,,3391,ZINC000001482128,CHEMBL2106441,,,134756,5251503,CNC(=S)NCO,"InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)",JLMHZVYLAQPMOZ-UHFFFAOYSA-N
DB13839,486-79-3,Dipyrocetyl,experimental,,"['N02BA59', 'N02BA79', 'N02BA09', 'M01BA02']",,,,,3160,ZINC000000001316,CHEMBL1451173,,,107635,68093,CC(=O)OC1=CC=CC(C(O)=O)=C1OC(C)=O,"InChI=1S/C11H10O6/c1-6(12)16-9-5-3-4-8(11(14)15)10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)",NYIZXMGNIUSNKL-UHFFFAOYSA-N
DB13840,7647-63-4,Hydroxyethylpromethazine,experimental,,"['R06AD55', 'R06AD05']",,,,,4571,,CHEMBL3707371,,,135995,16406,CC(CN1C2=CC=CC=C2SC2=C1C=CC=C2)[N+](C)(C)CCO,"InChI=1S/C19H25N2OS/c1-15(21(2,3)12-13-22)14-20-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)20/h4-11,15,22H,12-14H2,1-3H3/q+1",PDSVTRQOBUIQBQ-UHFFFAOYSA-N
DB13841,982-24-1,Clopenthixol,experimental,,N05AF02,D02613,,,,4397,,CHEMBL3989892,81491,,59115,12454,[H]C(CCN1CCN(CCO)CC1)=C1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2",WFPIAZLQTJBIFN-UHFFFAOYSA-N
DB13842,13425-39-3,Etofylline nicotinate,experimental,,C04AD04,,,,,3212,ZINC000005425173,CHEMBL3707239,,ETOFYLLINE NICOTINATE,135405,83435,CN1C2=C(N(CCOC(=O)C3=CC=CN=C3)C=N2)C(=O)N(C)C1=O,"InChI=1S/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3",ZWIAODBBEZGVPY-UHFFFAOYSA-N
DB13843,5251-34-3,Cloprednol,experimental,"['1254734', '512064']",H02AB14,D03561,21285,,,709,ZINC000004215431,CHEMBL1697832,,,135619,5284535,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)C=C[C@]12C,"InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1",YTJIBEDMAQUYSZ-FDNPDPBUSA-N
DB13844,13473-38-6,Pipenzolate,experimental,,"['A03CA09', 'A03AB14']",,33743,,,2185,,CHEMBL1619528,,,95178,4832,CC[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1",WPUKUEMZZRVAKZ-UHFFFAOYSA-N
DB13845,90-54-0,Etafenone,experimental,,C01DX07,D01440,,,,1069,ZINC000000001376,CHEMBL1736151,,,135389,3275,CCN(CC)CCOC1=CC=CC=C1C(=O)CCC1=CC=CC=C1,"InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3",OEGDFSLNGABBKJ-UHFFFAOYSA-N
DB13846,91-82-7,Pyrrobutamine,experimental,,"['R06AX08', 'R06AX58']",,,,,2334,,,,,135334,8669,ClC1=CC=C(CC(=CCN2CCCC2)C2=CC=CC=C2)C=C1,"InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2",WDYYVNNRTDZKAZ-UHFFFAOYSA-N
DB13847,,Rhenium Re-186 sulfide,experimental,,V10AX05,,,,,,,,,,,,[S--].[S--].[S--].[S--].[S--].[S--].[S--].[186Re].[186Re],InChI=1S/2Re.7S/q;;7*-2/i2*1+0;;;;;;;,USBWXQYIYZPMMN-CLJOKXJZSA-N
DB13848,92812-82-3,Fluorodopa (18F),"['experimental', 'approved']",,V09IX05,,2571853,,,4550,ZINC000100079068,CHEMBL3400972,,,49166,56494,N[C@@H](CC1=CC(O)=C(O)C=C1[18F])C(O)=O,"InChI=1S/C9H10FNO4/c10-5-3-8(13)7(12)2-4(5)1-6(11)9(14)15/h2-3,6,12-13H,1,11H2,(H,14,15)/t6-/m0/s1/i10-1",PAXWQORCRCBOCU-RPDRGXCHSA-N
DB13849,26717-47-5,Clofibride,experimental,,C10AB10,,,,,696,ZINC000003830586,CHEMBL1697831,,CLOFIBRIDE,135401,160134,CN(C)C(=O)CCCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1,"InChI=1S/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)21-11-5-6-14(19)18(3)4/h7-10H,5-6,11H2,1-4H3",CXQGFLBVUNUQIA-UHFFFAOYSA-N
DB13850,97094-64-9,Timepidium,experimental,,A03AB19,,,,,,,CHEMBL1865135,,,,5476,COC1CC(C[N+](C)(C)C1)=C(C1=CC=CS1)C1=CC=CS1,"InChI=1S/C17H22NOS2/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16/h4-9,14H,10-12H2,1-3H3/q+1",PDYOTUCJOLELJU-UHFFFAOYSA-N
DB13851,75887-54-6,Artemotil,approved,,P01BE04,,,,,246,ZINC000008214360,CHEMBL301267,50426305,ARTEMOTIL,135335,3000469,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OCC)[C@@H]2C)O4,"InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1",NLYNIRQVMRLPIQ-XQLAAWPRSA-N
DB13852,17243-57-1,Mefenorex,experimental,,A08AA09,,29444,,,1664,,CHEMBL2110962,,,134883,21777,CC(CC1=CC=CC=C1)NCCCCl,"InChI=1S/C12H18ClN/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,8-10H2,1H3",XXVROGAVTTXONC-UHFFFAOYSA-N
DB13853,532-11-6,Anethole trithione,"['experimental', 'approved']","['15153695', '11804400', '25175324', '10487404', '17109806', '21766311', '8339252', '17586125', '19508887']",A16AX02,D01584,820,,,218,ZINC000000000949,CHEMBL178862,,,31221,2194,COC1=CC=C(C=C1)C1=CC(=S)SS1,"InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3",KYLIZBIRMBGUOP-UHFFFAOYSA-N
DB13854,506-26-3,Gamolenic acid,"['approved', 'investigational']","['26101612', '27083549', '8753781', '23074118', '9932142', '9732298', '24435467']","['D11AX52', 'D11AX02']",D07213,25605,,,1276,ZINC000003777423,CHEMBL464982,50269532,18:3(N-6),28661,5280933,CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",VZCCETWTMQHEPK-QNEBEIHSSA-N
DB13855,965-52-6,Nifuroxazide,experimental,,A07AX03,,31782,,,1928,ZINC000000001808,CHEMBL244888,50396177,NIFUROXAZIDE,135136,5337997,OC1=CC=C(C=C1)C(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O,"InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+",YCWSUKQGVSGXJO-NTUHNPAUSA-N
DB13856,3693-38-7,Fluclorolone,experimental,,D07AC02,,108091,,,4546,ZINC000031284397,CHEMBL3707231,,,135986,76962649,C[C@]12C[C@H](Cl)[C@@]3(Cl)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,"InChI=1S/C21H25Cl2FO5/c1-18-4-3-10(26)5-13(18)14(24)6-12-11-7-16(27)21(29,17(28)9-25)19(11,2)8-15(22)20(12,18)23/h3-5,11-12,14-16,25,27,29H,6-9H2,1-2H3/t11-,12-,14-,15-,16+,18-,19-,20-,21-/m0/s1",VTWKPILBIUBMDS-OTJLYDAYSA-N
DB13857,10116-22-0,Demegestone,experimental,,G03DB05,D07223,22483,,,803,ZINC000004215548,CHEMBL2104231,,,135339,93057,[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1",JWAHBTQSSMYISL-MHTWAQMVSA-N
DB13858,95-27-2,Dimazole,"['withdrawn', 'approved']",,D01AE17,,,,,3725,ZINC000000001271,CHEMBL1184360,,,103934,8708,CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C,"InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3",WGMYEOIMVYADRJ-UHFFFAOYSA-N
DB13860,36364-49-5,Imidazole salicylate,experimental,,N02BA16,,27438,,,,,CHEMBL2104788,,,,37425,N1C=CN=C1.OC(=O)C1=CC=CC=C1O,"InChI=1S/C7H6O3.C3H4N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)",XCHHJFVNQPPLJK-UHFFFAOYSA-N
DB13861,89797-00-2,Iopentol,experimental,,V08AB08,D04582,27779,,,1466,,CHEMBL2104783,,,135893,56016,COCC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,"InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)",IUNJANQVIJDFTQ-UHFFFAOYSA-N
DB13862,7757-87-1,Magnesium phosphate,experimental,,B05XA10,,29164,,,,,CHEMBL2106873,,MAGNESIUM PHOSPHATE,190298,24439,[Mg++].[Mg++].[Mg++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O,"InChI=1S/3Mg.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",GVALZJMUIHGIMD-UHFFFAOYSA-H
DB13863,488-69-7,Fosfructose,experimental,,C01EB07,,2119172,,P6F,,ZINC000004523259,CHEMBL1235112,,,16905,84951,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O,"InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1",XPYBSIWDXQFNMH-UYFOZJQFSA-N
DB13864,142261-03-8,Hemoglobin crosfumaril,experimental,,B05AA08,,,,,,,,,,,,,,
DB13865,4914-30-1,Dehydroemetine,investigational,,P01AX09,D00828,3142,,,3129,ZINC000004097449,CHEMBL1697741,,,149634,21022,[H][C@@]12CC(C[C@H]3NCCC4=C3C=C(OC)C(OC)=C4)=C(CC)CN1CCC1=C2C=C(OC)C(OC)=C1,"InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1",XXLZPUYGHQWHRN-RPBOFIJWSA-N
DB13866,1231-93-2,Etynodiol,experimental,,"['G03AA01', 'G03DC06', 'G03FA06']",D07939,24591,,,,ZINC000030691629,CHEMBL1201406,,,50785,14687,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](O)C=C3CC[C@@]21[H],"InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1",JYILPERKVHXLNF-QMNUTNMBSA-N
DB13867,90566-53-3,Fluticasone,"['experimental', 'approved']","['2287791', '23184737', '23578031', '2287792', '18047814', '11589253', '28587510']","['R01AD58', 'R01AD08', 'R03AK06', 'R03AK11', 'D07AC17', 'R03BA05']",D07981,41126,,,,ZINC000004097438,CHEMBL1201396,,,5134,5311101,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",MGNNYOODZCAHBA-GQKYHHCASA-N
DB13868,106941-25-7,Adefovir,investigational,,,,16521,,5HG,,ZINC000021297308,CHEMBL484,50001103,ADEFOVIR,2469,60172,NC1=C2N=CN(CCOCP(O)(O)=O)C2=NC=N1,"InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)",SUPKOOSCJHTBAH-UHFFFAOYSA-N
DB13869,20772-64-9,2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol,experimental,,,,,,,,ZINC000004793359,,,,,,COC1=C(O)C(\C=N\C2=CC=C(C)C=C2)=CC=C1,"InChI=1S/C15H15NO2/c1-11-6-8-13(9-7-11)16-10-12-4-3-5-14(18-2)15(12)17/h3-10,17H,1-2H3/b16-10+",OYEREWRJWMPHMA-MHWRWJLKSA-N
DB13871,54029-12-8,Albendazole oxide,experimental,,,D07106,,,,104,,CHEMBL1665,,,16959,83969,CCCS(=O)C1=CC=C2NC(NC(=O)OC)=NC2=C1,"InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)",VXTGHWHFYNYFFV-UHFFFAOYSA-N
DB13872,848-75-9,Lormetazepam,approved,,N05CD06,,28894,,,1608,,CHEMBL22097,,LORMETAZEPAM,52993,13314,CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl,"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3",FJIKWRGCXUCUIG-UHFFFAOYSA-N
DB13873,42017-89-0,Fenofibric acid,approved,"['28352420', '26904471', '21117499']",C10AB11,,24852,,F5A,4505,ZINC000000001984,CHEMBL981,28700,FENOFIBRIC ACID,83469,64929,CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O,"InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)",MQOBSOSZFYZQOK-UHFFFAOYSA-N
DB13874,1446502-11-9,Enasidenib,"['approved', 'investigational']","['28588020', '28588019', '27721426']",L01XX59,,1940332,,69Q,5251,ZINC000222731806,CHEMBL3989908,50503251,ENASIDENIB,145374,89683805,CC(C)(O)CNC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C1=NC(=CC=C1)C(F)(F)F,"InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)",DYLUUSLLRIQKOE-UHFFFAOYSA-N
DB13875,304-21-2,Harmaline,experimental,,,,,,,,ZINC000100014157,CHEMBL340807,50029799,,28172,3564,COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1,"InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3",RERZNCLIYCABFS-UHFFFAOYSA-N
DB13876,63638-91-5,Brofaromine,experimental,,,D02560,,,,,ZINC000000001046,CHEMBL160347,50288969,,,44571,COC1=CC2=C(OC(=C2)C2CCNCC2)C(Br)=C1,"InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3",WZXHSWVDAYOFPE-UHFFFAOYSA-N
DB13877,160003-66-7,Iniparib,investigational,,,D09913,,,33E,,ZINC000033963533,CHEMBL1170047,,INIPARIB,95067,9796068,NC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O,"InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)",MDOJTZQKHMAPBK-UHFFFAOYSA-N
DB13878,1353900-92-1,Pibrentasvir,"['approved', 'investigational']","['18524832', '28193664']",J05AP57,,1940636,,,5244,,CHEMBL3545123,50453100,ABT-530,,58031952,CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C1=NC2=C(N1)C=C(F)C(=C2)[C@H]1CC[C@@H](N1C1=CC(F)=C(N2CCC(CC2)C2=CC=C(F)C=C2)C(F)=C1)C1=CC2=C(NC(=N2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C=C1F,"InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1",VJYSBPDEJWLKKJ-NLIMODCCSA-N
DB13879,1365970-03-1,Glecaprevir,"['approved', 'investigational']",24282816,J05AP57,D10814,1940635,,O31,5243,ZINC000164528615,CHEMBL3545363,,ABT-493,,66828839,[H][C@@]12CN(C(=O)[C@@]([H])(NC(=O)O[C@]3([H])CCC[C@@]3([H])OC\C=C\C(F)(F)C3=NC4=C(C=CC=C4)N=C3O1)C(C)(C)C)[C@@]([H])(C2)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1,"InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1",MLSQGNCUYAMAHD-ITNVBOSISA-N
DB13881,1823078-37-0,Tisagenlecleucel,"['approved', 'investigational']","['27930631', '28413717', '26425336']",,,1986438,,,,,,,,,,,,
DB13882,93-60-7,Methyl nicotinate,approved,"['14550884', '2317445']",,,29900,,,3355,ZINC000000001706,CHEMBL379845,,METHYL NICOTINATE,134761,7151,COC(=O)C1=CN=CC=C1,"InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3",YNBADRVTZLEFNH-UHFFFAOYSA-N
DB13883,,Coral snake (micrurus fulvius) immune globulin antivenin (equine),"['experimental', 'approved']","['10463678', '12846594']",,,979384,,,,,,,,,,,,
DB13884,1357448-54-4,Albutrepenonacog alfa,approved,"['25851415', '27677190', '27099538', '27988873']",,,1743992,,,,,,,,,,,,
DB13885,1310-45-8,Ferric subsulfate,"['experimental', 'approved']",,,,24912,,,,,,,,,,,,
DB13886,339086-15-6,Human cytomegalovirus immune globulin,approved,12476798,J06BB09,,1997443,,,,,,,,,,,,
DB13887,,Meningococcal polysaccharide vaccine group W-135,"['experimental', 'approved', 'investigational']",,,,314724,,,,,,,,,,,,
DB13888,,Meningococcal polysaccharide vaccine group Y,"['experimental', 'approved', 'investigational']",,,,314725,,,,,,,,,,,,
DB13889,,Meningococcal polysaccharide vaccine group A,"['experimental', 'approved', 'investigational']",,,,29501,,,,,,,,,,,,
DB13890,,Meningococcal polysaccharide vaccine group C,"['experimental', 'approved', 'investigational']",,,,29503,,,,,,,,,,,,
DB13891,,Crotalus scutulatus antivenin,"['experimental', 'approved']",23672368,,,885189,,,,,,,,,,,,
DB13892,,Crotalus atrox antivenin,"['experimental', 'approved']","['6367819', '9839686', '9209225', '10613947']",,,885187,,,,,,,,,,,,
DB13893,,Crotalus adamanteus antivenin,"['experimental', 'approved']",,,,885185,,,,,,,,,,,,
DB13894,,Agkistrodon piscivorus antivenin,"['experimental', 'approved']",28633930,,,885183,,,,,,,,,,,,
DB13895,,Rhus Glabra Pollen,"['experimental', 'approved']",,,,1098274,,,,,,,,,,,,
DB13896,1187560-31-1,Talimogene laherparepvec,"['experimental', 'approved', 'investigational']",,L01XX51,D09966,1721264,,,,,,,,,,,,
DB13897,,Equine Botulinum Neurotoxin E Immune FAB2,"['experimental', 'approved', 'investigational']",,,,1722702,,,,,,,,,,,,
DB13898,,Equine Botulinum Neurotoxin C Immune FAB2,"['experimental', 'approved', 'investigational']",,,,1722698,,,,,,,,,,,,
DB13899,,Equine Botulinum Neurotoxin G Immune FAB2,"['experimental', 'approved', 'investigational']",,,,1722706,,,,,,,,,,,,
DB13900,,Equine Botulinum Neurotoxin A Immune FAB2,"['experimental', 'approved', 'investigational']",,,,1722696,,,,,,,,,,,,
DB13901,,Equine Botulinum Neurotoxin F Immune FAB2,"['experimental', 'approved', 'investigational']",,,,1722704,,,,,,,,,,,,
DB13902,,Equine Botulinum Neurotoxin D Immune FAB2,"['experimental', 'approved', 'investigational']",,,,1722700,,,,,,,,,,,,
DB13903,,Equine Botulinum Neurotoxin B Immune FAB2,"['experimental', 'approved', 'investigational']",,,,1722683,,,,,,,,,,,,
DB13904,,Cat dander extract,approved,"['28235411', '17573730']",,,465953,,,,,,,,,,,,
DB13905,,Scorpion (centruroides) immune Fab2 antivenin (equine),approved,"['25506567', '21209062']",,,1119986,,,,,,,,,,,,
DB13906,8001-97-6,Aloe vera leaf,experimental,"['24524259', '24274519', '19882025', '15613791', '24491493', '23315202']",,,1306128,,,,,,,,,,,,
DB13907,,Fusarium graminearum,"['experimental', 'approved']",,,,1922751,,,,,,,,,,,,
DB13908,1300-94-3,Amylmetacresol,approved,"['28869700', '22579007', '23588685', '28280379', '19367399', '25012093']",,,236248,,,,ZINC000002039651,CHEMBL1512677,,6-N-AMYL-M-CRESOL,48213,14759,CCCCCC1=CC=C(C)C=C1O,"InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3",CKGWFZQGEQJZIL-UHFFFAOYSA-N
DB13909,99-26-3,Bismuth subgallate,approved,"['19375279', '4818163', '9146788', '27429283', '26614041', '11870955', '1957122', '12895572', '29095326', '4813513', '23120195']",,D01398,19476,,,4531,,,,,31292,102117152,O[Bi]1OC2=CC(=CC(O)=C2O1)C(O)=O,"InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3",JAONZGLTYYUPCT-UHFFFAOYSA-K
DB13910,60364-28-5,Valproate bismuth,approved,,,,324003,,,,,,,,,129891194,[Bi+3].CCCC(CCC)C([O-])=O.CCCC(CCC)C([O-])=O.CCCC(CCC)C([O-])=O,"InChI=1S/3C8H16O2.Bi/c3*1-3-5-7(6-4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",YZDVVHSLIPLZLO-UHFFFAOYSA-K
DB13911,18472-87-2,Phloxine B,approved,,,,1310707,,,,,CHEMBL61441,,,87192,6097185,[Na+].[Na+].[O-]C(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C1=C2C=C(Br)C(=O)C(Br)=C2OC2=C1C=C(Br)C([O-])=C2Br,"InChI=1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2",GVKCHTBDSMQENH-UHFFFAOYSA-L
DB13912,4434-05-3,Coumermycin A1,experimental,,,,,,,,,CHEMBL389471,50048490,,,54697785,CO[C@H]1[C@H](OC(=O)C2=CC=C(C)N2)[C@H](O)[C@@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=C(C)C(=CN2)C(=O)NC2=C(O)C4=C(OC2=O)C(C)=C(O[C@H]2OC(C)(C)[C@@H](OC)[C@H](OC(=O)C5=CC=C(C)N5)[C@@H]2O)C=C4)C(=O)O3)OC1(C)C,"InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m0/s1",WTIJXIZOODAMJT-IYKSDEDASA-N
DB13913,,Belladonna,"['experimental', 'approved']","['22655106', '27366377']",,,89781,,,,,,,,,,,,
DB13914,1025216-57-2,Volixibat,"['experimental', 'investigational']","['29304731', '21103970']",,,,,,,,CHEMBL3707222,,VOLIXIBAT POTASSIUM,,24987688,[H][C@@]1([C@@H](O)[C@](CC)(CCCC)CS(=O)(=O)C2=CC=C(C=C12)N(C)C)C1=CC=CC(NC(=O)N[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](OCC3=CC=CC=C3)[C@H]2O)=C1,"InChI=1S/C38H51N3O12S2/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50)/t29-,31-,32-,33-,34+,35-,36-,38-/m1/s1",ULVBLFBUTQMAGZ-RTNCXNSASA-N
DB13915,,Axicabtagene ciloleucel,approved,8528044,,,1987398,,,,,,,,,,,,
DB13916,606-58-6,Toyocamycin,experimental,,,,,,TO1,,ZINC000004217594,CHEMBL99668,50049823,,134606,11824,NC1=C2C(=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1)C#N,"InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1",XOKJUSAYZUAMGJ-WOUKDFQISA-N
DB13917,501-15-5,Deoxyepinephrine,experimental,,,,,,,,ZINC000001530781,CHEMBL31088,81489,,10554,4382,CNCCC1=CC(O)=C(O)C=C1,"InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3",NGKZFDYBISXGGS-UHFFFAOYSA-N
DB13918,51338-27-3,Diclofop-methyl,experimental,,,,,,,,,CHEMBL34474,,,145412,39985,COC(=O)C(C)OC1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1,"InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3",BACHBFVBHLGWSL-UHFFFAOYSA-N
DB13919,139481-59-7,Candesartan,experimental,,"['C09DB07', 'C09DX06', 'C09CA06', 'C09DA06']",D00522,214354,PA448765,,,ZINC000003782818,CHEMBL1016,50240609,CANDESARTAN,3347,2541,CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1,"InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)",HTQMVQVXFRQIKW-UHFFFAOYSA-N
DB13920,640281-90-9,Valopicitabine,experimental,"['17328231', '28215138']",,,,,,,ZINC000053188593,CHEMBL393820,,VALOPICITABINE,,6918726,CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(N)=NC2=O)[C@]1(C)O,"InChI=1S/C15H24N4O6/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22)/t8-,10+,11-,13-,15-/m1/s1",TVRCRTJYMVTEFS-ICGCPXGVSA-N
DB13921,20724-73-6,2'-C-methylcytidine,experimental,,,,,,,,ZINC000003816981,CHEMBL438605,50530022,,,500902,C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(N)=NC1=O,"InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1",PPUDLEUZKVJXSZ-VPCXQMTMSA-N
DB13923,1610943-06-0,Emicizumab,"['approved', 'investigational']","['16478695', '26626991', '27207420', '27223146', '29214439', '6424437']",B02BX06,,1989795,,,,,,,,,,,,
DB13924,,Varicella zoster vaccine (recombinant),"['approved', 'investigational']",28426274,,,1986820,,,,,,,,,,,,
DB13925,1027785-90-5,Dotatate gallium Ga-68,"['approved', 'investigational']","['23522791', '25369268', '25143861', '25918675', '20926978', '18383518']",,,676679,,,,,,,,,131634491,[68Ga+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,"InChI=1S/C65H90N14O19S2.Ga/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1-2",XBJPSVQFCQFGDC-WSCOIBMGSA-K
DB13926,1772578-74-1,Cenegermin,"['approved', 'investigational']",,S01XA24,,2104332,,,,,,,,,,,,
DB13927,882697-00-9,anle138b,experimental,23604588,,,,,,,ZINC000068200503,CHEMBL4748063,,,,44608289,BrC1=CC=CC(=C1)C1=NNC(=C1)C1=CC2=C(OCO2)C=C1,"InChI=1S/C16H11BrN2O2/c17-12-3-1-2-10(6-12)13-8-14(19-18-13)11-4-5-15-16(7-11)21-9-20-15/h1-8H,9H2,(H,18,19)",RCQIIBJSUWYYFU-UHFFFAOYSA-N
DB13928,910463-68-2,Semaglutide,"['approved', 'investigational']","['29766634', '30929417', '24140094', '24608440', '29205786', '31436480', '28323117', '28266779', '29915923', '30623143', '29756388']",A10BJ06,,1991302,,,5267,,CHEMBL3616752,50121400,,167574,122189768,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CN=CN1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O,"InChI=1S/C187H291N45O59/c1-18-105(10)154(180(282)208-108(13)159(261)216-133(86-114-89-200-119-50-40-39-49-117(114)119)170(272)218-129(82-102(4)5)171(273)228-152(103(6)7)178(280)215-121(53-44-72-199-186(192)193)162(264)201-91-141(242)209-120(52-43-71-198-185(190)191)161(263)204-94-151(257)258)230-172(274)131(83-111-45-33-31-34-46-111)219-167(269)126(64-69-149(253)254)214-166(268)122(51-41-42-70-195-144(245)98-290-79-78-289-76-74-197-145(246)99-291-80-77-288-75-73-196-139(240)66-61-127(183(285)286)211-140(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-146(247)248)212-158(260)107(12)206-157(259)106(11)207-165(267)125(60-65-138(189)239)210-142(243)92-202-163(265)123(62-67-147(249)250)213-168(270)128(81-101(2)3)217-169(271)130(85-113-56-58-116(238)59-57-113)220-175(277)135(95-233)223-177(279)137(97-235)224-179(281)153(104(8)9)229-174(276)134(88-150(255)256)221-176(278)136(96-234)225-182(284)156(110(15)237)231-173(275)132(84-112-47-35-32-36-48-112)222-181(283)155(109(14)236)227-143(244)93-203-164(266)124(63-68-148(251)252)226-184(287)187(16,17)232-160(262)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,245)(H,196,240)(H,197,246)(H,201,264)(H,202,265)(H,203,266)(H,204,263)(H,206,259)(H,207,267)(H,208,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1",DLSWIYLPEUIQAV-CCUURXOWSA-N
DB13929,150375-75-0,Relcovaptan,investigational,28855876,,,,,,,ZINC000003931527,CHEMBL419667,50114031,,93701,60943,COC1=CC=C(C=C1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl,"InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1",CEBYCSRFKCEUSW-NAYZPBBASA-N
DB13930,869886-67-9,Ulixertinib,investigational,28939558,,,,,EVK,,ZINC000034642570,CHEMBL3590106,,ULIXERTINIB,,11719003,[H]N([C@H](CO)C1=CC(Cl)=CC=C1)C(=O)C1=CC(=CN1[H])C1=CC(=NC=C1Cl)N([H])C(C)C,"InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1",KSERXGMCDHOLSS-LJQANCHMSA-N
DB13931,1254032-66-0,Netarsudil,approved,"['27842161', '27799730', '28609185']","['S01EE51', 'S01EX05']",,1992864,,,5269,ZINC000113149554,CHEMBL4594250,,RHOPRESSA,,66599893,CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1,"InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1",OURRXQUGYQRVML-AREMUKBSSA-N
DB13932,1646819-03-5,Voretigene neparvovec,approved,"['19649989', '18441370', '2156265', '24858547', '28712537']",S01XA27,,1995538,,,,,,,,,,,,
DB13933,1175512-71-6,Nonacog beta pegol,"['approved', 'investigational']","['22998153', '24929223', '25535411', '25525079', '29124682', '27378188']",,,1990855,,,,,,,,,,,,
DB13934,1165910-22-4,Ligandrol,investigational,22459616,,,,,,,ZINC000095830588,,,,,44137686,O[C@H]([C@H]1CCCN1C1=CC=C(C#N)C(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C14H12F6N2O/c15-13(16,17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18,19)20/h3-4,6,11-12,23H,1-2,5H2/t11-,12-/m1/s1",OPSIVAKKLQRWKC-VXGBXAGGSA-N
DB13935,870888-46-3,AC-262536,experimental,18164613,,,,,,,ZINC000103238128,CHEMBL3084525,,,,,[H][C@]12CC[C@]([H])(C[C@H](O)C1)N2C1=CC=C(C#N)C2=CC=CC=C12,"InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14+,15+",ATKWLNSCJYLXPF-FICVDOATSA-N
DB13936,888072-47-7,JNJ-28330835,experimental,,,,,,,,ZINC000028710419,CHEMBL242469,,,,11703306,[H]N(C(=O)[C@]1(C)CC(=NN1[H])C(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F,"InChI=1S/C14H10F6N4O/c1-12(5-10(23-24-12)14(18,19)20)11(25)22-8-3-2-7(6-21)9(4-8)13(15,16)17/h2-4,24H,5H2,1H3,(H,22,25)/t12-/m0/s1",RYBKPGYFXRNMMU-LBPRGKRZSA-N
DB13937,917891-35-1,LGD-3303,experimental,"['19017848', '18847323']",,,,,,,,,,,,25195253,CCC1=C(C)C2=C(C=CC3=C2C(Cl)=CC(=O)N3)N1CC(F)(F)F,"InChI=1S/C16H14ClF3N2O/c1-3-11-8(2)14-12(22(11)7-16(18,19)20)5-4-10-15(14)9(17)6-13(23)21-10/h4-6H,3,7H2,1-2H3,(H,21,23)",OMXGOGXEWUCLFI-UHFFFAOYSA-N
DB13938,404920-28-1,S-40503,experimental,,,,,,,,ZINC000013919811,CHEMBL1910411,50355936,,,57398987,[H][C@]1(C[C@]([H])(N(C)C)C2=C(N1)C=CC(=C2)N(=O)=O)C(C)(C)CO,"InChI=1S/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3/t13-,14-/m0/s1",YNYAUBNZRZVNLX-KBPBESRZSA-N
DB13939,1182367-47-0,RAD-140,"['experimental', 'investigational']",,,,,,,,ZINC000066097792,CHEMBL1672635,50336997,RAD-140,,44200882,[H][C@@](C)(O)[C@@]([H])(NC1=C(C)C(Cl)=C(C=C1)C#N)C1=NN=C(O1)C1=CC=C(C=C1)C#N,"InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1",XMBUPPIEVAFYHO-KPZWWZAWSA-N
DB13940,185562-00-9,"2,5-Dimethoxy-4-ethylthioamphetamine",experimental,,,,,,,,,CHEMBL339611,50164337,,,10264356,CCSC1=CC(OC)=C(CC(C)N)C=C1OC,"InChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3",MCYCODJKXUJSAT-UHFFFAOYSA-N
DB13941,4085-31-8,Piperaquine,"['experimental', 'approved', 'investigational']","['16956956', '15610051', '28072872']","['P01BF05', 'P01BX02']",,,PA166104279,,4193,ZINC000026251015,CHEMBL303933,50519563,PIPERAQUINE,91231,122262,ClC1=CC2=C(C=C1)C(=CC=N2)N1CCN(CCCN2CCN(CC2)C2=CC=NC3=C2C=CC(Cl)=C3)CC1,"InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2",UCRHFBCYFMIWHC-UHFFFAOYSA-N
DB13943,58-20-8,Testosterone cypionate,approved,"['7817189', '2333732', '11176375', '28078214']",,D00957,,,,4454,ZINC000004097468,CHEMBL1201101,,DEPO-TESTOSTERONE,9463,441404,[H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1",HPFVBGJFAYZEBE-ZLQWOROUSA-N
DB13944,315-37-7,Testosterone enanthate,approved,"['7817189', '2333732', '26797061', '18046048', '24435052', '28078214']",,,,,,4609,ZINC000003876080,CHEMBL1200335,,DELATESTRYL,9464,9416,[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1",VOCBWIIFXDYGNZ-IXKNJLPQSA-N
DB13946,5949-44-0,Testosterone undecanoate,"['approved', 'investigational']","['17486268', '9876028', '15531493', '3770015', '10229906', '28031910', '24497673', '11176375', '27803500']",,,,,,2608,ZINC000008214690,CHEMBL2107067,,NEBIDO,135741,65157,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1",UDSFVOAUHKGBEK-CNQKSJKFSA-N
DB13947,18625-33-7,Testosterone enantate benzilic acid hydrazone,"['experimental', 'approved']",,,,,,,,ZINC000299888598,,,,,76971566,[H]N(N=C1CC[C@@]2(C)C(CC[C@@]3([H])[C@]4([H])CC[C@H](OC(=O)CCCCCC)[C@@]4(C)CC[C@]23[H])=C1)C(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C40H52N2O4/c1-4-5-6-13-18-36(43)46-35-22-21-33-32-20-19-30-27-31(23-25-38(30,2)34(32)24-26-39(33,35)3)41-42-37(44)40(45,28-14-9-7-10-15-28)29-16-11-8-12-17-29/h7-12,14-17,27,32-35,45H,4-6,13,18-26H2,1-3H3,(H,42,44)/t32-,33-,34-,35-,38-,39-/m0/s1",PTVXYACXDYZNID-JKXGKYMWSA-N
DB13948,1391489-32-9,"N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine",experimental,"['24397362', '28360333']",,,,,U0G,,ZINC000098210306,,,,145979,90489020,COC1=CC(C#N)=C(OC)C=C1CCNCC1=C(O)C=CC=C1,"InChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3",VWEDZTZAXHMZIL-UHFFFAOYSA-N
DB13949,20074-52-6,Ferric cation,approved,"['25053935', '24778671', '11005764', '15941392', '7934822', '24310424']",,,1546357,,FE,,,,,,29034,29936,[Fe+3],InChI=1S/Fe/q+3,VTLYFUHAOXGGBS-UHFFFAOYSA-N
DB13950,131543-22-1,WIN 55212-2,experimental,29113897,,,,,WI5,,ZINC000025783468,CHEMBL188,21281,,73295,5311501,CC1=C(C(=O)C2=CC=CC3=CC=CC=C23)C2=C3N1[C@H](CN1CCOCC1)COC3=CC=C2,"InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1",HQVHOQAKMCMIIM-HXUWFJFHSA-N
DB13951,1164-91-6,Stanolone acetate,experimental,,,,,,,,ZINC000002557145,CHEMBL3275971,,,,11809740,[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,"InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17-,18-,19-,20-,21-/m0/s1",ILCTUFVQFCIIDS-NGFSFWIMSA-N
DB13952,4245-41-4,Estradiol acetate,"['vet_approved', 'approved', 'investigational']","['8530713', '17135036', '9211678', '10843196', '17124377', '11792932', '17573901', '8098802', '24530924', '7488136']",,D04061,,,,4497,,CHEMBL1200430,,FEMTRACE,135981,9818306,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H],"InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1",FHXBMXJMKMWVRG-SLHNCBLASA-N
DB13953,50-50-0,Estradiol benzoate,"['vet_approved', 'approved', 'investigational']","['8530713', '17135036', '9211678', '10843196', '17124377', '11792932', '17573901', '8098802', '7488136']",,,,,,1058,ZINC000003881345,CHEMBL282575,56905,ESTRADIOL 3-BENZOATE,77006,222757,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C,"InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1",UYIFTLBWAOGQBI-BZDYCCQFSA-N
DB13954,313-06-4,Estradiol cypionate,"['vet_approved', 'approved', 'investigational']","['8530713', '17135036', '9211678', '10843196', '17124377', '11792932', '17573901', '8098802', '24530924', '7488136']",,D04063,,,,1059,ZINC000003876078,CHEMBL1200973,,ESTRADIOL CYPIONATE,34745,9403,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1,"InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1",UOACKFBJUYNSLK-XRKIENNPSA-N
DB13955,7732-97-0,Estradiol dienanthate,"['vet_approved', 'approved', 'investigational']","['8530713', '17135036', '9211678', '10843196', '17124377', '11792932', '17573901', '8098802', '7488136']",,,,,,,ZINC000031476880,,,,,165688,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C,"InChI=1S/C32H48O4/c1-4-6-8-10-12-30(33)35-24-15-17-25-23(22-24)14-16-27-26(25)20-21-32(3)28(27)18-19-29(32)36-31(34)13-11-9-7-5-2/h15,17,22,26-29H,4-14,16,18-21H2,1-3H3/t26-,27-,28+,29+,32+/m1/s1",OVAHZPTYWMWNKO-CAHAWPIUSA-N
DB13956,979-32-8,Estradiol valerate,"['vet_approved', 'approved', 'investigational']","['8530713', '17135036', '7169965', '9211678', '10843196', '17124377', '11792932', '17573901', '8098802', '24530924', '7488136']",,,,,,1064,ZINC000003881556,CHEMBL1511,,ESTRADIOL 17-VALERATE,31561,13791,[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1",RSEPBGGWRJCQGY-RBRWEJTLSA-N
DB13957,1146963-51-0,J147,experimental,"['26564964', '23673233', '29122628', '24768993', '22194796']",,,,,,,ZINC000059155662,CHEMBL2387144,,,192601,25229652,COC1=CC(\C=N\N(C(=O)C(F)(F)F)C2=C(C)C=C(C)C=C2)=CC=C1,"InChI=1S/C18H17F3N2O2/c1-12-7-8-16(13(2)9-12)23(17(24)18(19,20)21)22-11-14-5-4-6-15(10-14)25-3/h4-11H,1-3H3/b22-11+",HYMZAYGFKNNHDN-SSDVNMTOSA-N
DB13958,6157-87-5,Trestolone acetate,experimental,,,,,,,,,CHEMBL452329,,,,10246085,[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H],"InChI=1S/C21H30O3/c1-12-10-14-11-15(23)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)24-13(2)22/h11-12,16-20H,4-10H2,1-3H3/t12-,16+,17-,18+,19+,20-,21+/m1/s1",IVCRCPJOLWECJU-XQVQQVTHSA-N
DB13959,438544-49-1,Medium-chain triglycerides,approved,"['7702024', '8748191', '18294365', '28053676']",,,1310578,,,,,,,,,,,,
DB13960,52-51-7,Bronopol,approved,"['14265925', '3075439', '12062701', '22153260', '7414618']",,D01577,1114345,,,,ZINC000001088216,CHEMBL1408862,50248122,BRONOPOL,31306,2450,OCC(Br)(CO)[N+]([O-])=O,"InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2",LVDKZNITIUWNER-UHFFFAOYSA-N
DB13961,,Fish oil,"['approved', 'nutraceutical']","['26097787', '22393325', '26662863', '26380055', '20699674']",,,4419,,,,,,,,,,,,
DB13962,5793-88-4,Calcium saccharate,"['experimental', 'approved']",,,,1907,,,,,CHEMBL2104217,,CALCIUM GLUCARATE,,154911,[Ca++].[H][C@](O)(C([O-])=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C([O-])=O,"InChI=1S/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2/t1-,2-,3-,4+;/m0./s1",UGZVNIRNPPEDHM-SBBOJQDXSA-L
DB13963,95-50-1,"1,2-dichlorobenzene",experimental,,,,,,YAN,,ZINC000000388506,CHEMBL298461,,,35290,7239,ClC1=C(Cl)C=CC=C1,InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H,RFFLAFLAYFXFSW-UHFFFAOYSA-N
DB13964,8002-03-7,Peanut oil,approved,"['20032593', '12743075']",,,18235,,,,,,,,,,,,
DB13965,,Sarracenia Purpurea,"['experimental', 'approved']","['23216659', '22738356']",,,1605249,,,,,,,,,,,,
DB13966,110-27-0,Isopropyl myristate,"['experimental', 'approved']","['18563737', '28132900', '22943314', '19423676', '17942025']",,,27985,,,,ZINC000008214588,CHEMBL207602,,ISOPROPYL MYRISTATE,90027,8042,CCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3",AXISYYRBXTVTFY-UHFFFAOYSA-N
DB13967,25305-77-5,Patent Blue,approved,"['24415970', '26670899', '23325942', '23203181']",V04CX09,,32950,,,,ZINC000004365621,,,,59601,101272215,CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C(O)=C1)S(O)(=O)=O)S(O)(=O)=O,"InChI=1S/C27H32N2O7S2/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36)/p+1",DHAHKSQXIXFZJB-UHFFFAOYSA-O
DB13968,,Plasma protein fraction (human),approved,"['4104308', '13367025']",,,33835,,,,,,,,,,,,
DB13969,32426-11-2,Quaternium-24,experimental,,,,1539969,,,,,,,,,61906,[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCC,"InChI=1S/C20H44N.ClH/c1-5-7-9-11-13-14-16-18-20-21(3,4)19-17-15-12-10-8-6-2;/h5-20H2,1-4H3;1H/q+1;/p-1",SCXCDVTWABNWLW-UHFFFAOYSA-M
DB13970,20256-55-7,Dioctyldimonium,"['experimental', 'approved']",,,,2382593,,,,ZINC000038141918,CHEMBL2366023,,,,62582,CCCCCCCC[N+](C)(C)CCCCCCCC,"InChI=1S/C18H40N/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3/q+1",MELGLHXCBHKVJG-UHFFFAOYSA-N
DB13971,7440-62-2,Vanadium,"['experimental', 'approved']",,,,11121,,,,,,,,35170,23990,[V],InChI=1S/V,LEONUFNNVUYDNQ-UHFFFAOYSA-N
DB13972,59-51-8,Racemethionine,"['experimental', 'approved']",,,D04983,9100,,,,,CHEMBL274119,86195,PEDAMETH,64558,135373086,CSCCC(N)C(O)=O,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",FFEARJCKVFRZRR-UHFFFAOYSA-N
DB13973,,Remestemcel-L,"['approved', 'investigational']","['24903975', '24216185', '14735553', '23574329', '15882431']",,,,,,,,,,,,,,,
DB13974,,Passiflora incarnata flower,"['experimental', 'approved']",,,,1355833,,,,,,,,,,,,
DB13975,,Black cohosh,experimental,"['18984078', '12850238', '23439657', '24499633', '11347288', '20032972', '27327802']",G02CX04,,236665,,,,,,,,,,,,
DB13976,167747-19-5,Sulesomab,approved,18836272,V09HA04,,,,,,,,,,,,,,
DB13977,584-08-7,Potassium carbonate,approved,,,D02038,34300,,,,,CHEMBL2105894,,,131526,139064508,[K+].[K+].[O-]C([O-])=O,"InChI=1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",BWHMMNNQKKPAPP-UHFFFAOYSA-L
DB13978,49843-98-3,Selisistat,experimental,,,,,,,,,CHEMBL420311,50178769,,90369,5113032,NC(=O)C1CCCC2=C1NC1=C2C=C(Cl)C=C1,"InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)",FUZYTVDVLBBXDL-UHFFFAOYSA-N
DB13979,537694-98-7,Besilesomab,approved,8890209,,,,,,,,,,,,,,,
DB13980,13981-25-4,Copper Cu-64,approved,,,,2200143,,,,,,,,,105141,[64Cu],InChI=1S/Cu/i1+0,RYGMFSIKBFXOCR-IGMARMGPSA-N
DB13981,58652-20-3,Nomegestrol acetate,"['approved', 'investigational']",,,D08281,53744,,,1957,ZINC000003938628,CHEMBL1476022,,TX-066,135564,91668,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C(C)=C[C@@]21[H],"InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3/t17-,18-,20-,21+,22+,23+/m1/s1",IIVBFTNIGYRNQY-YQLZSBIMSA-N
DB13982,14265-75-9,Lutetium Lu-177,approved,,,,,,,,,,,,,161046,[177Lu],InChI=1S/Lu/i1+2,OHSVLFRHMCKCQY-NJFSPNSNSA-N
DB13983,159359-22-5,"5,7,2′-trihydroxy-6,8-dimethoxyflavone",experimental,"['14637197', '12561253']",,,,,,,ZINC000014644415,CHEMBL488994,,,,9818878,COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=CC=C1O,"InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-5-3-4-6-9(8)18)24-15(12)17(23-2)14(16)21/h3-7,18,20-21H,1-2H3",JWOKGWICZPPYPX-UHFFFAOYSA-N
DB13984,75-19-4,Cyclopropane,experimental,24421247,,,,,,,,CHEMBL1796999,,CYCLOPROPANE,30365,6351,C1CC1,InChI=1S/C3H6/c1-2-3-1/h1-3H2,LVZWSLJZHVFIQJ-UHFFFAOYSA-N
DB13985,437608-50-9,Lutetium Lu 177 dotatate,"['approved', 'investigational']","['10388029', '19148511', '23326064', '28076709', '1364090', '22388631']",,,1999335,,,,,,,,,132274234,[177Lu+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,"InChI=1S/C65H90N14O19S2.Lu/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1+2",MXDPZUIOZWKRAA-PRDSJKGBSA-K
DB13987,10476-85-4,Strontium chloride,approved,"['23653647', '17037886']",,,37175,,,,,CHEMBL2219640,,STRONTIUM CHLORIDE,36383,61520,[Cl-].[Cl-].[Sr++],InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2,AHBGXTDRMVNFER-UHFFFAOYSA-L
DB13988,201038-74-6,SB-269970,investigational,"['16018977', '15249157', '10669560']",,,,,,,ZINC000003982174,CHEMBL282199,50098551,,92426,6604889,CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C2=CC=CC(O)=C2)CC1,"InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1",HWKROQUZSKPIKQ-MRXNPFEDSA-N
DB13989,1764-85-8,Epitizide,experimental,,C03EA03,,,,,1031,,CHEMBL2104605,,,135688,15671,NS(=O)(=O)C1=CC2=C(NC(CSCC(F)(F)F)NS2(=O)=O)C=C1Cl,"InChI=1S/C10H11ClF3N3O4S3/c11-5-1-6-8(2-7(5)23(15,18)19)24(20,21)17-9(16-6)3-22-4-10(12,13)14/h1-2,9,16-17H,3-4H2,(H2,15,18,19)",RINBGYCKMGDWPY-UHFFFAOYSA-N
DB13990,63065-88-3,Dipropyl-4-hydroxytryptamine,experimental,,,,,,,,,,,,,21854223,CCCN(CCC)CCC1=CNC2=C1C(O)=CC=C2,"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-12-17-14-6-5-7-15(19)16(13)14/h5-7,12,17,19H,3-4,8-11H2,1-2H3",MZLRMPTVOVJXLW-UHFFFAOYSA-N
DB13991,77472-98-1,Pipequaline,experimental,,,,,,,,ZINC000001482144,CHEMBL2105206,,,,71219,C(CC1=C2C=CC=CC2=NC(=C1)C1=CC=CC=C1)C1CCNCC1,"InChI=1S/C22H24N2/c1-2-6-18(7-3-1)22-16-19(11-10-17-12-14-23-15-13-17)20-8-4-5-9-21(20)24-22/h1-9,16-17,23H,10-15H2",AMEWZCMTSIONOX-UHFFFAOYSA-N
DB13992,1830-32-6,Azintamide,investigational,,,,402580,,,275,ZINC000000000984,CHEMBL2104678,,AZINTAMIDE,135068,71105,CCN(CC)C(=O)CSC1=CC=C(Cl)N=N1,"InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3",SSLKKMZJCJBOML-UHFFFAOYSA-N
DB13993,233275-76-8,MRK-409,experimental,20147571,,,,,,,ZINC000095100106,CHEMBL4303594,50526870,,,22609888,CN1N=CN=C1COC1=NN2C(C=C1C1CCC1)=NN=C2C1=C(F)C=CC=C1F,"InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3",GOIFCXRIFSYPFG-UHFFFAOYSA-N
DB13994,942437-37-8,AZD-7325,investigational,,,,,,,,ZINC000071295104,CHEMBL1783282,50418481,,,23581869,CCCNC(=O)C1=C(N)C2=CC=CC(=C2N=N1)C1=C(F)C=CC=C1OC,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)",KYDURMHFWXCKMW-UHFFFAOYSA-N
DB13995,1802359-96-1,Ferric pyrophosphate citrate,"['approved', 'investigational']","['10231452', '14748943', '27557937', '22942439']",,,,,,,,,,,,145994608,[Fe+3].[Fe+3].[Fe+3].[Fe+3].OP(O)(=O)OP(O)(O)=O.OP(O)(=O)OP(O)(O)=O.OP([O-])(=O)OP([O-])([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/3C6H8O7.4Fe.3H4O7P2/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;3*1-8(2,3)7-9(4,5)6/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;3*(H2,1,2,3)(H2,4,5,6)/q;;;4*+3;;;/p-12",SXAWSYZURCZSDX-UHFFFAOYSA-B
DB13996,142-72-3,Magnesium acetate,approved,,,,,,,,,CHEMBL1200691,,MAGNESIUM ACETATE,62964,8896,[Mg++].CC([O-])=O.CC([O-])=O,"InChI=1S/2C2H4O2.Mg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",UEGPKNKPLBYCNK-UHFFFAOYSA-L
DB13997,1985606-14-1,Baloxavir marboxil,"['approved', 'investigational']","['29623652', '30184455', '28631174']",J05AX25,D11021,2099995,,,5301,,CHEMBL4297503,,S-033188,,124081896,[H][C@@]12COCCN1C(=O)C1=C(OCOC(=O)OC)C(=O)C=CN1N2[C@H]1C2=CC=C(F)C(F)=C2CSC2=CC=CC=C12,"InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1",RZVPBGBYGMDSBG-GGAORHGYSA-N
DB13998,1388129-63-2,Lonoctocog alfa,"['approved', 'investigational']",2157,,,,,,,,,,,,,,,
DB13999,284036-24-4,Moroctocog alfa,approved,"['27487799', '2157', '19473411', '23815950', '25548513']",,D08232,,,,,,,,,,,,,
DB14000,143-24-8,Tetraglyme,experimental,,,,,,,,ZINC000001692489,CHEMBL3182543,,,46785,8925,COCCOCCOCCOCCOC,"InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3",ZUHZGEOKBKGPSW-UHFFFAOYSA-N
DB14001,4345-03-3,alpha-Tocopherol succinate,"['vet_approved', 'approved', 'nutraceutical']","['6465056', '26981194', '16641396', '16616557', '15537682', '11597949', '17254374', '16714329', '7288289', '12537931', '12672706']",,,,,,2690,ZINC000004214779,CHEMBL81421,50458511,,135821,20353,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1,"InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1",IELOKBJPULMYRW-NJQVLOCASA-N
DB14002,58-95-7,D-alpha-Tocopherol acetate,"['vet_approved', 'approved', 'nutraceutical']","['6465056', '26981194', '16641396', '16616557', '15537682', '11597949', '9693126', '12537931']",,D01735,1441649,,,4195,ZINC000004172337,CHEMBL1047,,,32321,86472,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1,"InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1",ZAKOWWREFLAJOT-CEFNRUSXSA-N
DB14003,7695-91-2,alpha-Tocopherol acetate,approved,"['26981194', '12537931', '15537682']",,,39625,,,,,,,,,,,,
DB14004,1326244-10-3,Tildrakizumab,"['approved', 'investigational']","['28596043', '25546162', '28271735', '26042589', '29271481', '29510001']",L04AC17,D10400,2053436,,,,,,,,,,,,
DB14005,9006-65-9,Dimethicone 410,approved,"['26092045', '24847408']",,,,,,,,,,,,,,,
DB14006,2016-36-6,Choline salicylate,"['approved', 'nutraceutical']","['16258079', '3888490', '7249509']",N02BA03,D00810,,,,,,CHEMBL2104095,,CHOLINE SALICYLATE,3668,54686350,C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O,"InChI=1S/C7H6O3.C5H14NO/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1",UDKCHVLMFQVBAA-UHFFFAOYSA-M
DB14007,67-43-6,Pentetic acid,approved,"['10901376', '22230879', '24047113']",,,3690,,,2092,ZINC000019419017,CHEMBL780,,CALCIUM TRISODIUM PENTETATE,35739,3053,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)",QPCDCPDFJACHGM-UHFFFAOYSA-N
DB14008,1447-88-7,Hispidulin,experimental,15231642,,,,,HUL,,ZINC000005732241,CHEMBL293776,50049395,,75902,5281628,COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O,"InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3",IHFBPDAQLQOCBX-UHFFFAOYSA-N
DB14009,,Medical Cannabis,"['experimental', 'investigational']","['17828291', '29533978', '26264914', '28799497', '19874654', '26015168', '16199061', '27086601', '23408483', '24137134', '16596792', '26218440', '24281562']",,,2168435,,,,,,,,,,,,
DB14010,1019-45-0,"5-methoxy-N,N-dimethyltryptamine","['experimental', 'illicit']",20942780,,,,,,,ZINC000000057152,CHEMBL7257,30707,MEBUFOTENIN,2086,1832,COC1=CC=C2NC=C(CCN(C)C)C2=C1,"InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3",ZSTKHSQDNIGFLM-UHFFFAOYSA-N
DB14011,56575-23-6,Nabiximols,investigational,"['17828291', '26264914', '24160757', '26218440', '24281562']",,D09317,,,,,,CHEMBL3833333,,GW-1000,,9852188,[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C,"InChI=1S/2C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,16-17,22H,5-10H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t16-,17-;17-,18+/m10/s1",SSNHGLKFJISNTR-DYSNNVSPSA-N
DB14012,1610833-03-8,Burosumab,"['approved', 'investigational']","['29545670', '29381780']",M05BX05,D10913,2043855,,,,,,,,,,,,
DB14013,1379686-30-2,SR-9009,experimental,29320480,,,,,,,,CHEMBL1961796,50366238,,,57394020,CCOC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC2=CC=C(Cl)C=C2)C1,"InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3",MMJJNHOIVCGAAP-UHFFFAOYSA-N
DB14014,1379686-29-9,SR-9011,experimental,29320480,,,,,,,,CHEMBL1961797,50366239,,,57394021,CCCCCNC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC2=CC=C(Cl)C=C2)C1,"InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)",PPUYOYQTTWJTIU-UHFFFAOYSA-N
DB14015,7631-90-5,Sodium bisulfite,approved,,,,1366858,,,,,CHEMBL1689285,,SODIUM BISULFITE,26709,18000336,[Na+].OS([O-])=O,"InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",DWAQJAXMDSEUJJ-UHFFFAOYSA-M
DB14016,,Ox bile extract,"['experimental', 'approved', 'investigational']",,,,1310249,,,,,,,,,,,,
DB14017,1825302-42-8,H3B-8800,investigational,"['27776121', '21909114', '29457796']",,,,,,,,,,,,92135969,C[C@H](\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)\C=C\[C@@H]1C)C1=CC=CC=N1,"InChI=1S/C31H45N3O6/c1-22(26-11-6-7-16-32-26)9-8-10-23(2)29-24(3)12-13-27(39-30(37)34-19-17-33(5)18-20-34)31(4,38)15-14-25(35)21-28(36)40-29/h6-13,16,22,24-25,27,29,35,38H,14-15,17-21H2,1-5H3/b9-8+,13-12+,23-10+/t22-,24+,25-,27+,29-,31-/m1/s1",YOIQWBAHJZGRFW-WVRLKXNASA-N
DB14018,10381-75-6,Bromotheophylline,approved,"['13583790', '25035530']",R03DA20,,1546386,,,2047,ZINC000100005670,CHEMBL316160,50045345,,,11808,CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O,"InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)",SKTFQHRVFFOHTQ-UHFFFAOYSA-N
DB14019,1703748-89-3,Fosnetupitant,approved,"['27713845', '25552904']",,,2044417,,,5283,,CHEMBL3989917,,FOSNETUPITANT,,71544786,CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CC[N+](C)(COP(O)([O-])=O)CC1,"InChI=1S/C31H35F6N4O5P/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45)",HZIYEEMJNBKMJH-UHFFFAOYSA-N
DB14020,119-53-9,Benzoin,"['experimental', 'approved']",,,,,,,4663,,CHEMBL190677,22728,BENZOIN,17682,8400,OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H",ISAOCJYIOMOJEB-UHFFFAOYSA-N
DB14022,,Typhoid vaccine,approved,,,,,,,,,,,,,,,,
DB14025,105956-97-6,Clinafloxacin,investigational,,,D02539,,,,677,,CHEMBL278255,50474311,,94459,60063,NC1CCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O,"InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)",QGPKADBNRMWEQR-UHFFFAOYSA-N
DB14026,147-93-3,Thiosalicylic acid,experimental,,,D08586,322165,,JKE,,ZINC000000284503,CHEMBL119888,50239391,,59124,5443,OC(=O)C1=C(S)C=CC=C1,"InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)",NBOMNTLFRHMDEZ-UHFFFAOYSA-N
DB14027,275371-94-3,Taspoglutide,investigational,,,D09723,,,,,,,,,,87453228,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O,"InChI=1S/C152H232N40O45/c1-20-78(10)119(145(233)168-81(13)125(213)174-105(63-87-66-162-92-39-28-27-38-90(87)92)134(222)176-101(59-75(4)5)135(223)187-117(76(6)7)143(231)173-95(41-30-32-56-154)142(230)192-152(18,19)148(236)184-93(122(157)210)42-33-57-161-150(158)159)189-136(224)103(60-84-34-23-21-24-35-84)177-131(219)99(50-54-115(206)207)172-130(218)94(40-29-31-55-153)170-124(212)80(12)166-123(211)79(11)167-129(217)98(47-51-110(156)199)169-111(200)68-163-127(215)96(48-52-113(202)203)171-132(220)100(58-74(2)3)175-133(221)102(62-86-43-45-89(198)46-44-86)178-139(227)107(70-193)181-141(229)109(72-195)182-144(232)118(77(8)9)188-138(226)106(65-116(208)209)179-140(228)108(71-194)183-147(235)121(83(15)197)190-137(225)104(61-85-36-25-22-26-37-85)180-146(234)120(82(14)196)186-112(201)69-164-128(216)97(49-53-114(204)205)185-149(237)151(16,17)191-126(214)91(155)64-88-67-160-73-165-88/h21-28,34-39,43-46,66-67,73-83,91,93-109,117-121,162,193-198H,20,29-33,40-42,47-65,68-72,153-155H2,1-19H3,(H2,156,199)(H2,157,210)(H,160,165)(H,163,215)(H,164,216)(H,166,211)(H,167,217)(H,168,233)(H,169,200)(H,170,212)(H,171,220)(H,172,218)(H,173,231)(H,174,213)(H,175,221)(H,176,222)(H,177,219)(H,178,227)(H,179,228)(H,180,234)(H,181,229)(H,182,232)(H,183,235)(H,184,236)(H,185,237)(H,186,201)(H,187,223)(H,188,226)(H,189,224)(H,190,225)(H,191,214)(H,192,230)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H4,158,159,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118-,119-,120-,121-/m0/s1",WRGVLTAWMNZWGT-VQSPYGJZSA-N
DB14028,1088-11-5,Nordazepam,experimental,,N05BA16,D08283,3155,,,816,ZINC000001249069,CHEMBL523,50027835,,111762,2997,ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1,"InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",AKPLHCDWDRPJGD-UHFFFAOYSA-N
DB14029,80288-49-9,Furafylline,experimental,2378786,,,,,,,,CHEMBL372638,50171007,,,44404226,FC1=C(C=C(C=N1)C1CC2CCC1N2)C1=CC=C(C=C1)C#N,"InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2",HMZQULPVMKITSP-UHFFFAOYSA-N
DB14030,1997387-43-5,PZM21,experimental,29582414,,,,,,,ZINC000642814910,CHEMBL4467777,50518036,,,121596705,C[C@@H](CC1=CSC=C1)NC(=O)NC[C@H](CC1=CC=C(O)C=C1)N(C)C,"InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1",MEDBIJOVZJEMBI-YOEHRIQHSA-N
DB14031,51-18-3,Tretamine,experimental,,,,,,,2739,ZINC000001530868,CHEMBL502384,,,27919,5799,C1CN1C1=NC(=NC(=N1)N1CC1)N1CC1,InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2,IUCJMVBFZDHPDX-UHFFFAOYSA-N
DB14033,80-74-0,Acetyl sulfisoxazole,"['vet_approved', 'approved']",6101167,G01AE10,,,,,4458,ZINC000000002114,CHEMBL1200910,,ACETYLSULFISOXAZOLE,135975,6662,CC(=O)N(C1=C(C)C(C)=NO1)S(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3",JFNWFXVFBDDWCX-UHFFFAOYSA-N
DB14034,141200-24-0,Darglitazone,experimental,,,,,,,,,CHEMBL55624,,,,60870,CC1=C(CCC(=O)C2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1,"InChI=1S/C23H20N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,20H,11-13H2,1H3,(H,25,27,28)",QQKNSPHAFATFNQ-UHFFFAOYSA-N
DB14035,109229-58-5,Englitazone,experimental,,,,,,,,,CHEMBL17669,,,,6918151,O=C1NC(=O)C(CC2=CC=C3O[C@@H](CC4=CC=CC=C4)CCC3=C2)S1,"InChI=1S/C20H19NO3S/c22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13/h1-6,9-10,16,18H,7-8,11-12H2,(H,21,22,23)/t16-,18?/m1/s1",MVDXXGIBARMXSA-PYUWXLGESA-N
DB14037,18449-41-7,Madecassic acid,experimental,,,,1551573,,,,ZINC000014243546,CHEMBL481854,50244879,,73058,73412,[H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O,"InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1",PRAUVHZJPXOEIF-AOLYGAPISA-N
DB14038,83-46-5,beta-Sitosterol,experimental,,,D08518,47070,,,2451,ZINC000004095717,CHEMBL221542,50218197,,27693,222284,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",KZJWDPNRJALLNS-VJSFXXLFSA-N
DB14039,1582205-90-0,Erenumab,"['approved', 'investigational']","['28948500', '28593473']",N02CD01,D10928,2045613,,,,,,,,,,,,
DB14040,1644539-04-7,Eptinezumab,"['approved', 'investigational']","['29019093', '24867844', '28948500', '25297013', '28409893']",,,2282660,,,,,,,,,,,,
DB14041,1655501-53-3,Fremanezumab,"['approved', 'investigational']","['24867844', '28948500', '29667896', '29089894', '28409893']",N02CD03,,2056691,,,,,,,,,,,,
DB14042,1578199-75-3,Galcanezumab,"['approved', 'investigational']","['29019093', '24867844', '28948500', '25297013', '29089894', '28409893']",N02CD02,,2058846,,,,,,,,,,,,
DB14043,544-31-0,Palmidrol,"['experimental', 'nutraceutical']",,,D08328,2001986,,,2045,ZINC000008035017,CHEMBL417675,29083,FSD-201,71464,4671,CCCCCCCCCCCCCCCC(=O)NCCO,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",HXYVTAGFYLMHSO-UHFFFAOYSA-N
DB14044,18679-90-8,Hopantenic acid,experimental,28884730,,D08042,,,,3280,ZINC000002017228,CHEMBL2110783,,,134949,28281,CC(C)(CO)[C@@H](O)C(=O)NCCCC(O)=O,"InChI=1S/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/t8-/m0/s1",SBBDHANTMHIRGW-QMMMGPOBSA-N
DB14045,910-31-6,Cholesteryl chloride,experimental,,,,,,,,ZINC000006844021,,,,,92850,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C,"InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",OTVRYZXVVMZHHW-DPAQBDIFSA-N
DB14046,25321-22-6,Dichlorobenzene,"['experimental', 'approved']",,,,89548,,,,,,,,,,,,
DB14048,17141-74-1,Sodium zirconium cyclosilicate,"['approved', 'investigational']",,V03AE10,D10727,2047628,,,,,,,,,134694335,[Na+].[Na+].[Zr].[O-][Si]1([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O1,"InChI=1S/2Na.O9Si3.Zr/c;;1-10(2)7-11(3,4)9-12(5,6)8-10;/q2*+1;-6;",ARVUQMBOTBOHPL-UHFFFAOYSA-N
DB14049,14797-55-8,Nitrate,"['experimental', 'investigational']",,,,1546271,,NO3,,,CHEMBL186200,26988,,17632,943,[O-]N(=O)=O,InChI=1S/NO3/c2-1(3)4/q-1,NHNBFGGVMKEFGY-UHFFFAOYSA-N
DB14050,24274-48-4,Cannabidivarin,investigational,"['25029033', '21175579', '22970845', '29588939', '29842819', '21796370', '29290836', '24282673', '23408483', '28087250', '14610053']",,,,,,,ZINC000005844413,CHEMBL2387742,50532215,CANNABIDIVARIN,182159,11601669,[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C,"InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1",REOZWEGFPHTFEI-JKSUJKDBSA-N
DB14051,,Malacidin A,experimental,29434326,,,,,,,,CHEMBL4525167,,,140173,132282518,CC(C)CC\C=C/C=C/C(=O)N[C@@H](C(C)C(O)=O)C(=O)N[C@H]1C(C)NC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC1=O)C(C)C)C(O)C(O)=O)C(C)C(O)=O)C(C)C,"InChI=1S/C56H88N12O20/c1-25(2)17-13-11-12-14-19-35(69)62-40(29(8)54(83)84)50(79)66-42-31(10)59-47(76)34-21-28(7)24-68(34)53(82)39(27(5)6)65-49(78)41(30(9)55(85)86)63-36(70)23-58-45(74)33(22-37(71)72)61-52(81)43(44(73)56(87)88)67-46(75)32(18-15-16-20-57)60-48(77)38(26(3)4)64-51(42)80/h11-12,14,19,25-34,38-44,73H,13,15-18,20-24,57H2,1-10H3,(H,58,74)(H,59,76)(H,60,77)(H,61,81)(H,62,69)(H,63,70)(H,64,80)(H,65,78)(H,66,79)(H,67,75)(H,71,72)(H,83,84)(H,85,86)(H,87,88)/b12-11-,19-14+/t28-,29?,30?,31?,32+,33+,34+,38-,39+,40+,41-,42+,43+,44?/m1/s1",USNOUEMKNKRWQT-ORRWAHHJSA-N
DB14052,,Malacidin B,experimental,29434326,,,,,,,,CHEMBL4470512,,,140174,132282519,CCC(C)CC\C=C/C=C/C(=O)N[C@@H](C(C)C(O)=O)C(=O)N[C@H]1C(C)NC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC1=O)C(C)C)C(O)C(O)=O)C(C)C(O)=O)C(C)C,"InChI=1S/C57H90N12O20/c1-11-28(6)18-14-12-13-15-20-36(70)63-41(30(8)55(84)85)51(80)67-43-32(10)60-48(77)35-22-29(7)25-69(35)54(83)40(27(4)5)66-50(79)42(31(9)56(86)87)64-37(71)24-59-46(75)34(23-38(72)73)62-53(82)44(45(74)57(88)89)68-47(76)33(19-16-17-21-58)61-49(78)39(26(2)3)65-52(43)81/h12-13,15,20,26-35,39-45,74H,11,14,16-19,21-25,58H2,1-10H3,(H,59,75)(H,60,77)(H,61,78)(H,62,82)(H,63,70)(H,64,71)(H,65,81)(H,66,79)(H,67,80)(H,68,76)(H,72,73)(H,84,85)(H,86,87)(H,88,89)/b13-12-,20-15+/t28?,29-,30?,31?,32?,33+,34+,35+,39-,40+,41+,42-,43+,44+,45?/m1/s1",SMTCDPMWINUUKC-AVBBYWJWSA-N
DB14054,464-92-6,Asiatic acid,experimental,,,,1551574,,0AS,,ZINC000008221271,CHEMBL404313,50241487,,2873,119034,[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO,"InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1",JXSVIVRDWWRQRT-UYDOISQJSA-N
DB14055,5543-57-7,(S)-Warfarin,"['experimental', 'investigational']",21692828,,,,,SWF,,ZINC000100006264,CHEMBL251074,,,87738,54688261,CC(=O)C[C@@H](C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1",PJVWKTKQMONHTI-HNNXBMFYSA-N
DB14056,28380-24-7,Nigericin,experimental,5696503,,,,,,,ZINC000085552063,CHEMBL405862,,,7569,34230,[H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(C)CC[C@@]([H])(O1)[C@]1(C)C[C@@H](C)[C@]2(O1)O[C@]([H])(C[C@@]1([H])CC[C@H](C)[C@@]([H])(O1)[C@@H](C)C(O)=O)C[C@@H](OC)[C@H]2C)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C,"InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1",DANUORFCFTYTSZ-SJSJOXFOSA-N
DB14057,2001-95-8,Valinomycin,experimental,5788506,,,,,,,,CHEMBL223643,50237619,,28545,3000706,CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C,"InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1",FCFNRCROJUBPLU-DNDCDFAISA-N
DB14058,127785-64-2,Basifungin,experimental,19047657,,,,,,,,,,,61739,51351746,CC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(NC1=O)C(C)C)[C@H](C)C(C)C,"InChI=1S/C60H92N8O10/c1-17-39(12)51-55(72)63-47(36(6)7)53(70)61-44(32-41-25-20-18-21-26-41)56(73)65(14)46(33-42-27-22-19-23-28-42)58(75)68-30-24-29-45(68)52(69)64-48(40(13)35(4)5)59(76)66(15)49(37(8)9)54(71)62-43(31-34(2)3)57(74)67(16)50(38(10)11)60(77)78-51/h18-23,25-28,34-40,43-51H,17,24,29-33H2,1-16H3,(H,61,70)(H,62,71)(H,63,72)(H,64,69)/t39-,40-,43+,44+,45+,46+,47?,48-,49+,50+,51+/m1/s1",YHSKJPXGXIYLHB-OTNPUQRPSA-N
DB14059,170569-86-5,SC-236,"['experimental', 'investigational']","['14699495', '12203123', '16718813', '17822719', '11192259', '9135032', '15784648', '12606945']",,,,,,,ZINC000000600558,CHEMBL282093,50057527,,,9865808,NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Cl)C=C1)C(F)(F)F,"InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)",NSQNZEUFHPTJME-UHFFFAOYSA-N
DB14060,123653-11-2,NS-398,experimental,,,,,PA166049196,NS4,,ZINC000003791739,CHEMBL7162,50029593,,73458,4553,CS(=O)(=O)NC1=CC=C(C=C1OC1CCCCC1)[N+]([O-])=O,"InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3",KTDZCOWXCWUPEO-UHFFFAOYSA-N
DB14061,3105-97-3,Hycanthone,experimental,,,D00541,,,QHM,1383,ZINC000003830916,CHEMBL22077,50066721,,52768,3634,CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1,"InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3",MFZWMTSUNYWVBU-UHFFFAOYSA-N
DB14062,80890-47-7,Concanamycin A,experimental,,,,,,,,ZINC000254286797,CHEMBL1241239,,,73167,6438151,[H][C@@]1(OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C,"InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1",DJZCTUVALDDONK-HQMSUKCRSA-N
DB14063,38321-02-7,Dexverapamil,experimental,,,,,,,,ZINC000003812888,CHEMBL197,50338982,DEXVERAPAMIL,77734,65808,COC1=CC=C(CCN(C)CCC[C@@](C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC,"InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1",SGTNSNPWRIOYBX-HHHXNRCGSA-N
DB14064,78370-13-5,Emopamil,experimental,,,,,,,,,CHEMBL173809,,EMOPAMIL,34736,71225,CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1,"InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3",DWAWDSVKAUWFHC-UHFFFAOYSA-N
DB14065,101477-55-8,Lomerizine,experimental,,,,,,,1595,ZINC000019362693,CHEMBL29188,50095765,,94682,3949,COC1=CC=C(CN2CCN(CC2)C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(OC)=C1OC,"InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3",JQSAYKKFZOSZGJ-UHFFFAOYSA-N
DB14066,518-34-3,Tetrandrine,experimental,,,,,,,,ZINC000028116057,CHEMBL176045,50478473,,49,73078,COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)[C@H]5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4,"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1",WVTKBKWTSCPRNU-KYJUHHDHSA-N
DB14067,129716-58-1,Dofequidar,"['experimental', 'investigational']",,,,,,,,,CHEMBL65067,,DOFEQUIDAR,,213040,OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2",KLWUUPVJTLHYIM-UHFFFAOYSA-N
DB14068,120054-86-6,Dexniguldipine,experimental,,,,,,,837,ZINC000100057432,CHEMBL2051956,,,103932,6918097,[H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC,"InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1",SVJMLYUFVDMUHP-MGBGTMOVSA-N
DB14069,216227-54-2,ONT-093,investigational,16012790,,,,,,,,CHEMBL313113,50485462,,,6450807,[H]\C(COCC)=C(\[H])C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=C(NC(C)C)C=C1)C1=CC=C(NC(C)C)C=C1,"InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27(12-10-24)32-35-30(25-13-17-28(18-14-25)33-22(2)3)31(36-32)26-15-19-29(20-16-26)34-23(4)5/h7-20,22-23,33-34H,6,21H2,1-5H3,(H,35,36)/b8-7+",RSJCLODJSVZNQA-BQYQJAHWSA-N
DB14070,849675-66-7,HM-30181,experimental,,,,,,,,ZINC000068014383,CHEMBL4594298,,HM30181AK,,11399764,[H]N(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=CC(OC)=C(OC)C=C1C1=NN(N=N1)C1=CC=C(CCN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1,"InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)",AHJUHHDDCJQACA-UHFFFAOYSA-N
DB14071,87857-41-8,Desmethylsertraline,experimental,,,,,,,,ZINC000006117444,CHEMBL40733,50028066,,,114743,[H][C@]1(N)CC[C@@]([H])(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,"InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1",SRPXSILJHWNFMK-ZBEGNZNMSA-N
DB14072,174630-04-7,Reversin 121,experimental,,,,,,,,ZINC000043552569,CHEMBL221390,50326927,,,9939298,CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C,"InChI=1S/C34H47N3O9/c1-33(2,3)45-30(40)26(19-13-14-20-35-31(41)44-23-25-17-11-8-12-18-25)36-29(39)27(37-32(42)46-34(4,5)6)21-28(38)43-22-24-15-9-7-10-16-24/h7-12,15-18,26-27H,13-14,19-23H2,1-6H3,(H,35,41)(H,36,39)(H,37,42)/t26-,27-/m0/s1",SVNKEDMVAQBLLN-SVBPBHIXSA-N
DB14073,5561-99-9,Gondoic acid,experimental,,,,1374399,,,,ZINC000006920439,CHEMBL4640620,50541547,,32425,5282768,CCCCCCCC\C=C/CCCCCCCCCC(O)=O,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-",BITHHVVYSMSWAG-KTKRTIGZSA-N
DB14074,119515-38-7,Icaridin,experimental,"['27535661', '25522134', '25332663']",,,1737729,,,,,CHEMBL2104314,,ICARIDIN,143733,125098,CCC(C)OC(=O)N1CCCCC1CCO,"InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3",QLHULAHOXSSASE-UHFFFAOYSA-N
DB14075,39236-46-9,Imidurea,"['experimental', 'approved']",,,,1368885,,,,,CHEMBL65433,66981,,51805,38258,OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O,"InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)",ZCTXEAQXZGPWFG-UHFFFAOYSA-N
DB14076,,"Interleukin-1 alpha, human recombinant",experimental,,,,,,,,,,,,,,,,
DB14077,557-04-0,Magnesium stearate,investigational,,,D02189,1310567,,,,,CHEMBL2106633,,MAGNESIUM STEARATE,9254,11177,[Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O,"InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",HQKMJHAJHXVSDF-UHFFFAOYSA-L
DB14078,1984-15-2,Medronic acid,"['approved', 'investigational']",,,D04887,1314368,,MDN,,ZINC000008015016,CHEMBL180570,50162816,,43945,16124,OP(O)(=O)CP(O)(O)=O,"InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)",MBKDYNNUVRNNRF-UHFFFAOYSA-N
DB14079,821-33-0,Hydroxybutyloxide,experimental,,,,14699,,,891,,,,,134793,92141,CC(O)CCOCCC(C)O,"InChI=1S/C8H18O3/c1-7(9)3-5-11-6-4-8(2)10/h7-10H,3-6H2,1-2H3",AFSYRVDDZGJTIL-UHFFFAOYSA-N
DB14080,36330-79-7,Acetylcysteine magnesium,experimental,,,,1809634,,,,,,,,,9906338,[Mg++].[H]N([C@@H](CS)C([O-])=O)C(C)=O.[H]N([C@@H](CS)C([O-])=O)C(C)=O,"InChI=1S/2C5H9NO3S.Mg/c2*1-3(7)6-4(2-10)5(8)9;/h2*4,10H,2H2,1H3,(H,6,7)(H,8,9);/q;;+2/p-2/t2*4-;/m00./s1",CDIFCTOKYOUYOT-SCGRZTRASA-L
DB14081,16830-15-2,Asiaticoside,experimental,,,D07576,18405,,,,ZINC000253529453,CHEMBL1684590,23211,,79928,11954171,[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO,"InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1",WYQVAPGDARQUBT-FGWHUCSPSA-N
DB14082,103725-47-9,Betiatide,"['experimental', 'approved']",,,,194098,,,4666,ZINC000006095847,CHEMBL3183117,,,136015,185457,OC(=O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)C1=CC=CC=C1,"InChI=1S/C15H17N3O6S/c19-11(16-6-12(20)18-8-14(22)23)7-17-13(21)9-25-15(24)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,19)(H,17,21)(H,18,20)(H,22,23)",VDPYMEBVIDZKMD-UHFFFAOYSA-N
DB14083,1675-54-3,Bisphenol A diglycidyl ether,"['experimental', 'approved']",,,,1368138,,,,,CHEMBL258558,50241439,,34578,2286,CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1,"InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3",LCFVJGUPQDGYKZ-UHFFFAOYSA-N
DB14084,94-26-8,Butylparaben,"['experimental', 'approved']",,,D01420,1306937,,27K,,ZINC000001586769,CHEMBL459008,23448,,88542,7184,CCCCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3",QFOHBWFCKVYLES-UHFFFAOYSA-N
DB14085,7440-43-9,Cadmium,experimental,,,,1362694,,,,,,,,37249,23973,[Cd],InChI=1S/Cd,BDOSMKKIYDKNTQ-UHFFFAOYSA-N
DB14086,154-23-4,Cianidanol,"['withdrawn', 'approved']",,,,1367177,,KXN,629,ZINC000000119983,CHEMBL311498,60836,CIANIDANOL,15600,9064,O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",PFTAWBLQPZVEMU-DZGCQCFKSA-N
DB14087,,Morrhuic acid,experimental,,,,1547610,,,,,,,,,,,,
DB14088,25182-74-5,Osbond acid,experimental,,,,1360626,,,,ZINC000033955138,,,,65136,6441454,CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-,19-18-",AVKOENOBFIYBSA-WMPRHZDHSA-N
DB14089,2418-14-6,Dimercaptosuccinic acid,"['experimental', 'approved']",,,,2475951,PA451521,,,,CHEMBL28721,60868,,,9354,OC(=O)C(S)C(S)C(O)=O,"InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)",ACTRVOBWPAIOHC-UHFFFAOYSA-N
DB14090,67-71-0,Dimethyl sulfone,"['experimental', 'investigational']",,,,23247,,,,ZINC000004658606,CHEMBL25028,50026473,,9349,6213,CS(C)(=O)=O,"InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3",HHVIBTZHLRERCL-UHFFFAOYSA-N
DB14091,57916-92-4,Carbomer homopolymer type C,"['experimental', 'investigational']",,,,1362909,,,,,,,,,,,,
DB14092,41325-63-7,8-epi-Cyanocobalamin,experimental,,,,1722234,,,,,,,,,145994609,[Co+3].[C-]#N.[H][C@@](C)(CN=C(O)CC[C@@]1(C)C2=NC([H])([C@]1([H])CC(O)=N)[C@]1(C)NC(=C(C)C3=NC(=CC4=NC(=C2C)[C@@]([H])(CCC([O-])=N)C4(C)C)[C@]([H])(CCC([O-])=N)[C@]3(C)CC(O)=N)[C@@]([H])(CCC([O-])=N)[C@]1(C)CC(O)=N)OP(O)(=O)O[C@]1([H])[C@@]([H])(CO)O[C@]([H])([N+]2=CNC3=C2C=C(C)C(C)=C3)[C@]1([H])O,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34+,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-KYGGNWNPSA-L
DB14093,67308-98-9,"(1,2,6,7-3H)Testosterone",experimental,,,,,,,,,,,,,91667979,[3H]C1C([3H])C2=CC(=O)C([3H])C([3H])[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1/i3T,4T,7T,9T/t3?,4?,7?,9?,14-,15-,16-,17-,18-,19-",MUMGGOZAMZWBJJ-JQSYSRDDSA-N
DB14094,7559-04-8,Tocopherylquinone,"['experimental', 'investigational']",,,,1376149,,VTQ,,ZINC000008214693,CHEMBL1223852,50041386,,,2734086,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O,"InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",LTVDFSLWFKLJDQ-IEOSBIPESA-N
DB14096,,"1,2-icosapentoyl-sn-glycero-3-phosphoserine","['experimental', 'approved']",,,,1549117,,,,,,,,,76967405,[H]C(N)(COP(O)(=O)OCC([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,"InChI=1S/C47H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-46(50)58-43(41-56-59(53,54)57-42-44(48)47(51)52)40-55-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,43-44H,3-4,9-10,15-16,21-22,27-28,33-42,48H2,1-2H3,(H,51,52)(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t43-,44+/m1/s1",WQVNGJIIARFEJV-XSLFZJRCSA-N
DB14097,141948-79-0,13-cis-12-(3'-Carboxyphenyl)retinoic acid,experimental,,,,,,,,,,,,,6438744,[H]\C(=C(\[H])C1=C(C)CCCC1(C)C)\C(\C)=C(/[H])C([H])=C(\C(C)=C(\[H])C(O)=O)C1=CC(=CC=C1)C(O)=O,"InChI=1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16-,23-13-",XKKDQOHDTASHCE-PAZAWXFKSA-N
DB14098,13408-78-1,Cobalamin,experimental,,,,42604,,,,,,,,,73415824,[Co++].[H]N([H])C(=O)CC[C@@H]1C2=N\C(=C(C)/C3=N[C@@](C)([C@]4([H])[N-]\C(=C(C)/C5=N/C(=C\2)/C(C)(C)[C@@H]5CCC(=O)N([H])[H])[C@](C)(CCC(=O)N([H])C[C@H](C)OP([O-])(=O)O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]2O)N2C=NC5=C2C=C(C)C(C)=C5)[C@H]4CC(=O)N([H])[H])[C@@](C)(CC(=O)N([H])[H])[C@@H]3CCC(=O)N([H])[H])\[C@@]1(C)CC(=O)N([H])[H],"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56+,57-,59+,60-,61-,62-;/m0./s1",ASARMUCNOOHMLO-WLORSUFZSA-L
DB14099,4539-70-2,"1,2-Distearoyllecithin","['experimental', 'approved']",,,,1426933,,,,,CHEMBL113644,,,,65146,CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3",NRJAVPSFFCBXDT-UHFFFAOYSA-N
DB14100,,Pork collagen,"['approved', 'investigational']",,,,1311319,,,,,,,,,,,,
DB14101,,Soy isoflavones,"['experimental', 'approved']",,,,,,,,,,,,,,,,
DB14102,7360-38-5,Triethylhexanoin,experimental,,,,1368189,,,,,,,,,110973,CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1S/C27H50O6/c1-7-13-16-21(10-4)25(28)31-19-24(33-27(30)23(12-6)18-15-9-3)20-32-26(29)22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3",DGSZGZSCHSQXFV-UHFFFAOYSA-N
DB14103,15985-39-4,Methionine sulfoximine,experimental,,,,1722382,,MSL,,,CHEMBL143324,,,28490,6992000,CS(=N)(=O)CC[C@H](N)C(O)=O,"InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1",SXTAYKAGBXMACB-DPVSGNNYSA-N
DB14104,60-33-3,Linoleic acid,"['experimental', 'approved']",,,,6400,,EIC,3323,ZINC000004474613,CHEMBL267476,22231,LINOLEIC ACID,17351,5280450,CCCCC\C=C/C\C=C/CCCCCCCC(O)=O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",OYHQOLUKZRVURQ-HZJYTTRNSA-N
DB14105,200880-41-7,"Sodium 1,2-Dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol)",approved,,,,1599274,,,,,,,,,46891827,[Na+].[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H75O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36,39-40H,3-34H2,1-2H3,(H,43,44);/q;+1/p-1/t35?,36-;/m1./s1",LDWIWSHBGAIIMV-ODZMYOIVSA-M
DB14106,103694-84-4,Tetrakis(2-methoxyisobutylisocyanide)copper(I) tetrafluoroborate,approved,,,,1306061,,,,,,,,,75530184,[Cu+].F[B-](F)(F)F.COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-],"InChI=1S/4C6H11NO.BF4.Cu/c4*1-6(2,8-4)5-7-3;2-1(3,4)5;/h4*5H2,1-2,4H3;;/q;;;;-1;+1",WJRFSUVOHUMYAO-UHFFFAOYSA-N
DB14107,22252-43-3,7-Aminodesacetoxycephalosporanic acid,experimental,22371438,,,1990418,,,,ZINC000002169127,CHEMBL3182744,,,64984,33498,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2N)C(O)=O,"InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1",NVIAYEIXYQCDAN-CLZZGJSISA-N
DB14108,6920-22-5,"1,2-Hexanediol",experimental,,,,1362584,,,,,,,,,94335,CCCCC(O)CO,"InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3",FHKSXSQHXQEMOK-UHFFFAOYSA-N
DB14109,84380-01-8,alpha-Arbutin,"['experimental', 'approved']",,,,1363429,,,,ZINC000004102324,CHEMBL226495,,,29710,158637,OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12+/m1/s1",BJRNKVDFDLYUGJ-ZIQFBCGOSA-N
DB14110,107-88-0,Butylene glycol,"['experimental', 'approved']",,,,1310542,,,,,CHEMBL3186475,,,52683,7896,CC(O)CCO,"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",PUPZLCDOIYMWBV-UHFFFAOYSA-N
DB14111,100403-19-8,Ceramide NP,experimental,"['12190621', '26206496', '18717861']",,,,,,,ZINC000200105160,,,,85204,57378373,CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC,"InChI=1S/C36H71NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,33-34,36,38-39,41H,3-16,19-32H2,1-2H3,(H,37,40)/b18-17-/t33-,34+,36-/m0/s1",ATGQXSBKTQANOH-UWVGARPKSA-N
DB14112,,Human vaccinia virus immune globulin,approved,"['21197387', '16716135', '15472814', '16564720']",,,597392,,,,,,,,,,,,
DB14113,,Black widow spider antivenin (equine),approved,,,,89887,,,,,,,,,,,,
DB14114,,Viper antivenom,approved,,,,91596,,,,,,,,,,,,
DB14115,,Human botulinum neurotoxin A/B immune globulin,approved,,,,544488,,,,,,,,,,,,
DB14116,12408-47-8,Silodrate,"['experimental', 'approved']",,,,236730,,,,,,,,,56841623,O.[O--].[O--].[Mg++].[Mg++].[Al+3].[Al+3].[O-][Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O,InChI=1S/2Al.2Mg.3O3Si.H2O.2O/c;;;;3*1-4(2)3;;;/h;;;;;;;1H2;;/q2*+3;2*+2;3*-2;;2*-2,JAUGGEIKQIHSMF-UHFFFAOYSA-N
DB14117,68611-44-9,Silica dimethyl silylate,experimental,,,,1426646,,,,,,,,,,,,
DB14119,554-62-1,Phytosphingosine,experimental,,,,1363444,,,,ZINC000008437018,CHEMBL236036,,,46961,122121,CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",AERBNCYCJBRYDG-KSZLIROESA-N
DB14120,85-27-8,Phenylethyl resorcinol,"['experimental', 'approved']",,,,1313724,,,,,CHEMBL3961037,240731,,,11171903,CC(C1=CC=CC=C1)C1=CC=C(O)C=C1O,"InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3",PQSXNIMHIHYFEE-UHFFFAOYSA-N
DB14121,10048-32-5,Parasorbic acid,experimental,,,,1998743,,,,,CHEMBL2252704,,,7926,441575,C[C@H]1CC=CC(=O)O1,"InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1",DYNKRGCMLGUEMN-YFKPBYRVSA-N
DB14122,19309-14-9,Dihydroxymethoxychalcone,experimental,24433078,,,,,,,ZINC000004716487,CHEMBL378104,50185446,,186253,641785,COC1=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=CC(O)=C1,"InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+",NYSZJNUIVUBQMM-BQYQJAHWSA-N
DB14123,1490-04-6,Menthol,approved,,,,1430390,,,,,CHEMBL256087,248162,L-MENTHOL,25187,1254,CC(C)C1CCC(C)CC1O,"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",NOOLISFMXDJSKH-UHFFFAOYSA-N
DB14124,69430-24-6,Cyclomethicone,experimental,,,,1307080,,,,,,,,,,,,
DB14125,86541-78-8,Benazeprilat,experimental,,,D03077,1546196,,,,ZINC000003814184,CHEMBL1192519,50021127,,88200,5463984,[H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(O)=O,"InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1",MADRIHWFJGRSBP-ROUUACIJSA-N
DB14126,147127-20-6,Tenofovir,"['experimental', 'investigational']","['12462284', '30460547', '27438578', '17048975', '24966587', '26640223', '24741339', '16801428', '23963694', '12937248']",,,117466,PA10204,TFO,2592,ZINC000001543475,CHEMBL483,50450813,TENOFOVIR,63625,464205,C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O,"InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1",SGOIRFVFHAKUTI-ZCFIWIBFSA-N
DB14127,149709-44-4,Sacubitrilat,experimental,,,,1860608,,6LD,,ZINC000001536201,CHEMBL417007,50034842,,,10430040,C[C@H](C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O)C(O)=O,"InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1",DOBNVUFHFMVMDB-BEFAXECRSA-N
DB14128,53-84-9,Nadide,experimental,,,,1044975,,NAD,4140,,CHEMBL1234613,213227,NADIDE,44215,10897651,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,"InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",BAWFJGJZGIEFAR-NNYOXOHSSA-N
DB14129,107534-93-0,Macelignan,experimental,,,,1872381,,,,ZINC000013108863,CHEMBL254071,90735,,94153,10404245,COC1=CC(C[C@H](C)[C@H](C)CC2=CC3=C(OCO3)C=C2)=CC=C1O,"InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1",QDDILOVMGWUNGD-UONOGXRCSA-N
DB14130,85005-92-1,Methyl salicylate 2-ethylbutyrate,experimental,,,,1921110,,,,ZINC000000363950,,,,,836853,CCC(CC)C(=O)OC1=CC=CC=C1C(=O)OC,"InChI=1S/C14H18O4/c1-4-10(5-2)13(15)18-12-9-7-6-8-11(12)14(16)17-3/h6-10H,4-5H2,1-3H3",QXNXIPALJCPMNY-UHFFFAOYSA-N
DB14131,106096-93-9,Basic Fibroblast Growth Factor,investigational,,,,,,,,,,,,,,,,
DB14132,85-18-7,8-chlorotheophylline,experimental,"['11835984', '3133696']",,,236872,,H33,,ZINC000100018165,CHEMBL88611,50331852,,59771,10661,CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O,"InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)",RYIGNEOBDRVTHA-UHFFFAOYSA-N
DB14134,5333-42-6,Octyldodecanol,experimental,,,,1367124,,,,,CHEMBL1572050,,OCTYLDODECANOL,,21414,CCCCCCCCCCC(CO)CCCCCCCC,"InChI=1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3",LEACJMVNYZDSKR-UHFFFAOYSA-N
DB14135,7790-92-3,Hypochlorous acid,experimental,,,,1483316,,8TR,,,CHEMBL1616046,,CLOROX,24757,24341,OCl,InChI=1S/ClHO/c1-2/h2H,QWPPOHNGKGFGJK-UHFFFAOYSA-N
DB14136,260781-16-6,(-)-menthol 1-propylene glycol carbonate,experimental,,,,1371320,,,,,,,,,57509244,[H]C(C)(O)COC(=O)O[C@]1([H])C[C@]([H])(C)CC[C@@]1([H])C(C)C,"InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1",FLYJSXDJKBHQAU-IBSWDFHHSA-N
DB14137,221227-05-0,Palmitoyl tetrapeptide-7,experimental,,,,1314277,,,,ZINC000163851498,,,,,10078408,[H]N([H])C(=O)CC[C@H](N([H])C(=O)CN([H])C(=O)CCCCCCCCCCCCCCC)C(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](CCCN=C(N([H])[H])N([H])[H])C(O)=O,"InChI=1S/C34H62N8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(44)39-24-30(45)40-25(20-21-28(35)43)32(47)42-23-16-18-27(42)31(46)41-26(33(48)49)17-15-22-38-34(36)37/h25-27H,2-24H2,1H3,(H2,35,43)(H,39,44)(H,40,45)(H,41,46)(H,48,49)(H4,36,37,38)/t25-,26-,27-/m0/s1",IHRKJQSLKLYWBQ-QKDODKLFSA-N
DB14138,1343-98-2,Silicic acid,experimental,,,,1311243,,,,,,,,,190201,O.O=[Si]=O,InChI=1S/O2Si.H2O/c1-3-2;/h;1H2,LRCFXGAMWKDGLA-UHFFFAOYSA-N
DB14139,9004-58-4,Hydroxyethyl ethylcellulose,"['experimental', 'approved']",,,,1722035,,,,,,,,,,,,
DB14140,25265-71-8,Dipropylene glycol,experimental,,,,1798386,,,,,,,,,,,,
DB14141,106-50-3,p-Phenylenediamine,"['experimental', 'approved']",,,,1362740,,,,ZINC000008294962,CHEMBL403741,,,51403,7814,NC1=CC=C(N)C=C1,"InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2",CBCKQZAAMUWICA-UHFFFAOYSA-N
DB14142,,Methoxy PEG-12 retinamide,experimental,,,,,,,,,,,,,,,,
DB14143,14357-21-2,Distearyldimonium,"['experimental', 'approved']",,,,1311550,,,,ZINC000059993772,,,,,7880,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC,"InChI=1S/C38H80N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3/q+1",OGQYPPBGSLZBEG-UHFFFAOYSA-N
DB14144,123-30-8,p-Aminophenol,experimental,,,,1435279,,4NL,,ZINC000004623758,CHEMBL1142,26195,,17602,403,NC1=CC=C(O)C=C1,"InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2",PLIKAWJENQZMHA-UHFFFAOYSA-N
DB14145,62253-63-8,Nepidermin,experimental,,,,1427157,,,,,,,,,,,,
DB14146,1211231-76-3,Loxicodegol,investigational,"['28340145', '28778859']",,,,,,,,,,,,73673720,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@]2([H])OCCOCCOCCOCCOCCOCCOC,"InChI=1S/C31H49NO10/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2/h4-5,25-26,29,33H,6-22H2,1-3H3/t25-,26+,29-,30-,31+/m0/s1",RQHILGKAOIGUHU-XPLSERNMSA-N
DB14148,,Human albumin microspheres,"['experimental', 'approved']",,,,314302,,,,,,,,,,,,
DB14149,,Glyceryl stearate SE,experimental,,,,1364379,,,,,,,,,76966745,[Na+].[K+].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC.[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/3C21H42O4.2C18H36O2.K.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h3*20,22-23H,2-19H2,1H3;2*2-17H2,1H3,(H,19,20);;/q;;;;;2*+1/p-2/t2*20-;;;;;/m10...../s1",JOMMDNSKWDWPIA-YJTCMNCISA-L
DB14150,7790-93-4,Chloric acid,"['experimental', 'approved']",,,,1546391,,LCO,,,CHEMBL1161633,,,17322,19654,[H]O[Cl](=O)=O,"InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)",XTEGARKTQYYJKE-UHFFFAOYSA-N
DB14151,7723-14-0,Phosphorus,"['experimental', 'approved']",,,,8263,,,,,,,,30207,5462309,[P],InChI=1S/P,OAICVXFJPJFONN-UHFFFAOYSA-N
DB14152,74749-74-9,Ginsenosides,experimental,,,,349656,,,,,,,,,3086007,[H][C@@]1(CC[C@]2(C)C1([H])CC[C@]1([H])[C@@]3(C)CC[C@]([H])(O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(O)CCC=C(C)C,"InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21?,22-,23-,24+,25-,27-,28+,29+,30?/m0/s1",NLHQJXWYMZLQJY-SWIZOJJJSA-N
DB14153,9005-67-8,Polysorbate 60,experimental,,,D05567,1487142,,,,,,,,,,,,
DB14154,7440-57-5,Gold,experimental,,,,1311190,,,,,,,,30050,23985,[Au],InChI=1S/Au,PCHJSUWPFVWCPO-UHFFFAOYSA-N
DB14155,9012-76-4,Chitosan low molecular weight (20-200 mpa.s),experimental,,,,1306196,,,,,,,,,,,,
DB14156,76-22-2,Synthetic camphor,"['experimental', 'approved']",,,,1371994,,,470,,CHEMBL15768,,,36773,2537,CC1(C)C2CCC1(C)C(=O)C2,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",DSSYKIVIOFKYAU-UHFFFAOYSA-N
DB14157,97281-48-6,Hydrogenated soybean lecithin,experimental,,,,1426418,,,,,,,,,,,,
DB14158,9004-34-6,Microcrystalline cellulose,"['experimental', 'approved', 'investigational']",,,,2221,,,,,,,,,,,,
DB14159,15468-10-7,Oxidronic acid,approved,,,,1546448,,,3409,ZINC000024740492,CHEMBL1615775,,,134844,27304,OC(P(O)(O)=O)P(O)(O)=O,"InChI=1S/CH6O7P2/c2-1(9(3,4)5)10(6,7)8/h1-2H,(H2,3,4,5)(H2,6,7,8)",HJZKOAYDRQLPME-UHFFFAOYSA-N
DB14160,7440-32-6,Titanium,experimental,,,,1305547,,,,,,,,33341,23963,[Ti],InChI=1S/Ti,RTAQQCXQSZGOHL-UHFFFAOYSA-N
DB14161,8030-76-0,"Lecithin, soybean",experimental,,,,579598,,,,,,,,,,,,
DB14162,,Northern bluefin tuna,approved,,,,2049894,,,,,,,,,,,,
DB14163,,Anthoxanthum odoratum,approved,,,,1319268,,,,,,,,,,,,
DB14164,,Betula lenta whole,approved,,,,1922750,,,,,,,,,,,,
DB14165,,Culex pipiens,approved,,,,1345679,,,,,,,,,,,,
DB14166,,Rumex acetosella whole,approved,,,,1735326,,,,,,,,,,,,
DB14167,,Rumex crispus top,approved,,,,1310183,,,,,,,,,,,,
DB14168,,Sarocladium strictum,approved,,,,905070,,,,,,,,,,,,
DB14169,,Salix nigra bark,approved,,,,1232311,,,,,,,,,,,,
DB14170,,Artemisia vulgaris root,"['approved', 'investigational']",,,,1341384,,,,,,,,,,,,
DB14171,,Penicillium glaucum,approved,,,,1986792,,,,,,,,,,,,
DB14172,,Evernia prunastri,approved,,,,1352501,,,,,,,,,,,,
DB14173,78491-02-8,Diazolidinylurea,"['experimental', 'approved']",,,,1310602,,,4652,,CHEMBL3187032,,,136014,62277,OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O,"InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)",SOROIESOUPGGFO-UHFFFAOYSA-N
DB14174,94-37-1,Dipentamethylenethiuram disulfide,"['experimental', 'approved']",,,,1426773,,,,ZINC000001606736,CHEMBL121516,50414948,,,7188,S=C(SSC(=S)N1CCCCC1)N1CCCCC1,InChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2,KNBRWWCHBRQLNY-UHFFFAOYSA-N
DB14175,122-40-7,alpha-Amyl cinnamaldehyde,"['experimental', 'approved']",,,,1311606,,,,ZINC000001874357,CHEMBL1611291,,,32318,1712058,CCCCC\C(C=O)=C\C1=CC=CC=C1,"InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-",HMKKIXGYKWDQSV-KAMYIIQDSA-N
DB14176,94-18-8,Benzylparaben,"['experimental', 'approved']",,,D07518,19075,,,,ZINC000000388756,CHEMBL447861,,,34571,7180,OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2",MOZDKDIOPSPTBH-UHFFFAOYSA-N
DB14177,94-13-3,Propylparaben,"['experimental', 'approved']",,,D01422,34706,,36M,2307,ZINC000001586788,CHEMBL194014,70190,PROPYL PARAHYDROXYBENZOATE,32063,7175,CCCOC(=O)C1=CC=C(O)C=C1,"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",QELSKZZBTMNZEB-UHFFFAOYSA-N
DB14178,97-74-5,Tetramethylthiuram monosulfide,"['experimental', 'approved']",,,,1363713,,,,ZINC000001666745,CHEMBL571700,50414949,,,7347,CN(C)C(=S)SC(=S)N(C)C,InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3,REQPQFUJGGOFQL-UHFFFAOYSA-N
DB14179,,Phleum pratense top,approved,,,,1350211,,,,,,,,,,,,
DB14180,7786-81-4,Nickel sulfate,"['experimental', 'approved']",,,,31738,,,,,,,,53001,24586,[Ni++].[O-]S([O-])(=O)=O,"InChI=1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",LGQLOGILCSXPEA-UHFFFAOYSA-L
DB14181,8027-33-6,Lanolin alcohols,"['experimental', 'approved']",,,,1426478,,,,,,,,,,,,
DB14182,13907-47-6,Dichromate,"['approved', 'investigational']",,,,1313336,,,,,,,,33141,24503,[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O,InChI=1S/2Cr.7O/q;;;;;;;2*-1,SOCTUWSJJQCPFX-UHFFFAOYSA-N
DB14183,106-24-1,Geraniol,"['experimental', 'approved']","['23943375', '29422862', '11961066', '26983575']",,,1368875,,64Z,,ZINC000001529210,CHEMBL25719,50037023,,17447,637566,CC(C)=CCC\C(C)=C\CO,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",GLZPCOQZEFWAFX-JXMROGBWSA-N
DB14184,14371-10-9,Cinnamaldehyde,"['experimental', 'approved']",18035463,,,1368153,,9Y6,,ZINC000001532777,CHEMBL293492,50203065,CINNAMALDEHYDE,16731,637511,O=C\C=C\C1=CC=CC=C1,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,KJPRLNWUNMBNBZ-QPJJXVBHSA-N
DB14185,1259305-29-7,Aripiprazole lauroxil,"['approved', 'investigational']","['27630522', '28342578', '15015905', '20643630', '25756003', '27668044']",,D10364,,PA166161216,,5052,ZINC000095564895,CHEMBL2219425,,ARISTADA,90930,49831411,CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12,"InChI=1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3",DDINXHAORAAYAD-UHFFFAOYSA-N
DB14186,4407-36-7,Cinnamyl alcohol,"['experimental', 'approved']",18035463,,,1362889,,,,ZINC000001529427,CHEMBL324794,50310446,,33227,5315892,OC\C=C\C1=CC=CC=C1,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+",OOCCDEMITAIZTP-QPJJXVBHSA-N
DB14187,107-75-5,Hydroxycitronellal,"['experimental', 'approved']","['2815827', '29108680']",,,1362893,,,,,CHEMBL3186027,,,53459,7888,[H]C(=O)CC(C)CCCC(C)(C)O,"InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3",WPFVBOQKRVRMJB-UHFFFAOYSA-N
DB14188,97-54-1,Isoeugenol,"['experimental', 'approved']","['26306463', '18416757']",,,1363706,,,,,CHEMBL2135887,,,18224,7338,COC1=CC(C=CC)=CC=C1O,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3",BJIOGJUNALELMI-UHFFFAOYSA-N
DB14189,107-15-3,Ethylenediamine,"['experimental', 'approved']",3900925,,D01114,4158,,EDN,,ZINC000037253587,CHEMBL816,7972,ETHYLENEDIAMINE,30347,3301,NCCN,InChI=1S/C2H8N2/c3-1-2-4/h1-4H2,PIICEJLVQHRZGT-UHFFFAOYSA-N
DB14190,,p-tert-Butylphenol-formaldehyde resin (low molecular weight),"['experimental', 'approved']","['12492546', '27071627']",,,1427189,,,,,,,,,,,,
DB14191,102-06-7,Diphenylguanidine,"['experimental', 'approved']",,,,1368170,,,,ZINC000018208503,CHEMBL77675,50010769,,144319,7594,N=C(NC1=CC=CC=C1)NC1=CC=CC=C1,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)",OWRCNXZUPFZXOS-UHFFFAOYSA-N
DB14192,74-31-7,"N,N'-diphenyl-1,4-phenylenediamine","['experimental', 'approved']",,,,1363709,,,,,,,,,,,,
DB14193,14324-55-1,Ditiocarb zinc,approved,,C05AX04,,1427192,,,,,CHEMBL3182813,,,144351,548262,[Zn++].CCN(CC)C([S-])=S.CCN(CC)C([S-])=S,"InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2",RKQOSDAEEGPRER-UHFFFAOYSA-L
DB14194,136-23-2,Zinc dibutyldithiocarbamate,"['experimental', 'approved']",,C05AX04,,1426942,,,,,CHEMBL2373108,,,144323,5284483,[Zn++].CCCCN(CCCC)C([S-])=S.CCCCN(CCCC)C([S-])=S,"InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2",BOXSVZNGTQTENJ-UHFFFAOYSA-L
DB14195,101-72-4,4-(Isopropylamino)diphenylamine,"['experimental', 'approved']",,,,1363710,,,,ZINC000000393922,CHEMBL1449018,,,63569,7573,CC(C)NC1=CC=C(NC2=CC=CC=C2)C=C1,"InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3",OUBMGJOQLXMSNT-UHFFFAOYSA-N
DB14196,101-87-1,"N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine",approved,16930230,,,1427136,,,,ZINC000002507992,,,,,92093,C1CCC(CC1)NC1=CC=C(NC2=CC=CC=C2)C=C1,"InChI=1S/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2",ZRMMVODKVLXCBB-UHFFFAOYSA-N
DB14197,26172-55-4,Methylchloroisothiazolinone,"['experimental', 'approved']","['25757082', '26536492', '23340392']",,,1367119,,,,ZINC000002002061,CHEMBL1738962,,,53621,33344,CN1SC(Cl)=CC1=O,"InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3",DHNRXBZYEKSXIM-UHFFFAOYSA-N
DB14198,4080-31-3,Quaternium-15,"['experimental', 'approved']","['19470301', '16197434']",,,283678,,,,,,,,59607,20011,[Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2,"InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1",UKHVLWKBNNSRRR-UHFFFAOYSA-M
DB14199,35691-65-7,Bromothalonil,"['experimental', 'approved']","['19470301', '21569742', '18537990']",,,1307044,,,,,CHEMBL3188084,,,62823,61948,BrCC(Br)(CCC#N)C#N,"InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2",DHVLDKHFGIVEIP-UHFFFAOYSA-N
DB14200,95-33-0,Thiohexam,"['experimental', 'approved']",,,,1306886,,,,ZINC000001680410,CHEMBL1591074,,,,7232,C1CCC(CC1)NSC1=NC2=CC=CC=C2S1,"InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2",DEQZTKGFXNUBJL-UHFFFAOYSA-N
DB14201,120-78-5,"2,2'-Dibenzothiazyl disulfide","['experimental', 'approved']",3219832,,,1306112,,,,ZINC000001555224,CHEMBL508112,50444458,,53239,8447,S(SC1=NC2=CC=CC=C2S1)C1=NC2=CC=CC=C2S1,InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H,AFZSMODLJJCVPP-UHFFFAOYSA-N
DB14202,102-77-2,Morpholinylmercaptobenzothiazole,"['experimental', 'approved']",,,,1363711,,,,ZINC000000393947,CHEMBL1530581,,,,7619,C1CN(CCO1)SC1=NC2=CC=CC=C2S1,"InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2",MHKLKWCYGIBEQF-UHFFFAOYSA-N
DB14203,68516-81-4,Disperse Blue 106,"['experimental', 'approved']",,,,1368171,,,,ZINC000005139570,,,,,,CCN(CCO)C1=CC=C(\N=N\C2=NC=C(S2)N(=O)=O)C(C)=C1,"InChI=1S/C14H17N5O3S/c1-3-18(6-7-20)11-4-5-12(10(2)8-11)16-17-14-15-9-13(23-14)19(21)22/h4-5,8-9,20H,3,6-7H2,1-2H3/b17-16+",UIHYHADQHHUIOF-WUKNDPDISA-N
DB14204,14701-22-5,Nickel cation,experimental,,,,1546280,,NI,,,,50361477,,49786,934,[Ni++],InChI=1S/Ni/q+2,VEQPNABPJHWNSG-UHFFFAOYSA-N
DB14205,22541-53-3,Cobaltous cation,experimental,,,,1546419,,CO,,,,,,48828,104729,[Co++],InChI=1S/Co/q+2,XLJKHNWPARRRJB-UHFFFAOYSA-N
DB14206,7646-79-9,Cobalt chloride,"['experimental', 'approved']",,,,1426884,,,,,,,,35696,24288,[Cl-].[Cl-].[Co++],InChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2,GVPFVAHMJGGAJG-UHFFFAOYSA-L
DB14207,95399-71-6,Fosinoprilat,experimental,,,D03772,1546393,,KS8,,ZINC000004213382,CHEMBL581,50018849,,116962,62956,[H][C@]1(C[C@H](N(C1)C(=O)CP(O)(=O)CCCCC1=CC=CC=C1)C(O)=O)C1CCCCC1,"InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1",WOIWWYDXDVSWAZ-RTWAWAEBSA-N
DB14208,87269-97-4,Ramiprilat,experimental,,,,1546377,,X92,,ZINC000004217399,CHEMBL1201365,,RAMIPRILAT,77363,5464096,[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(O)=O,"InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1",KEDYTOTWMPBSLG-HILJTLORSA-N
DB14209,87679-71-8,Trandolaprilat,experimental,,,,1546379,,X93,,ZINC000003784432,CHEMBL1201387,,,141521,5464097,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@@]([H])(C[C@@]2([H])CCCC[C@]12[H])C(O)=O,"InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1",AHYHTSYNOHNUSH-HXFGRODQSA-N
DB14210,103775-14-0,Moexiprilat,experimental,,,,1546358,,,,ZINC000003789196,CHEMBL1201405,,,,55331,COC1=C(OC)C=C2CN([C@@H](CC2=C1)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(O)=O,"InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1",CMPAGYDKASJORH-YSSFQJQWSA-N
DB14211,848033-49-8,Fanolesomab,"['experimental', 'approved']",,,,1314371,,,,,,,,,,,,
DB14212,99-76-3,Methylparaben,approved,,,D01400,29903,,MPB,1766,ZINC000000001712,CHEMBL325372,50209100,METHYLPARABEN,31835,7456,COC(=O)C1=CC=C(O)C=C1,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",LXCFILQKKLGQFO-UHFFFAOYSA-N
DB14213,95153-31-4,Perindoprilat,experimental,,,,1546400,,X94,,ZINC000004217270,CHEMBL1201368,,PERINDOPRILAT,132041,72022,[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(O)=O)[C@@]1([H])CCCC2)C(O)=O,"InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1",ODAIHABQVKJNIY-PEDHHIEDSA-N
DB14214,4159-77-7,Rose bengal lactone,experimental,,,,,,,,ZINC000150338564,CHEMBL1160160,50240035,,,69439,OC1=C(I)C2=C(C=C1I)C1(OC(=O)C3=C1C(Cl)=C(Cl)C(Cl)=C3Cl)C1=CC(I)=C(O)C(I)=C1O2,"InChI=1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H",IICCLYANAQEHCI-UHFFFAOYSA-N
DB14217,82768-85-2,Quinaprilat,experimental,,,,1546359,,,,ZINC000004217387,CHEMBL1733,50367258,,140296,107994,C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CC2=C(C[C@H]1C(O)=O)C=CC=C2,"InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1",FLSLEGPOVLMJMN-YSSFQJQWSA-N
DB14218,1033805-28-5,Telotristat,experimental,,A16AX15,,1872382,,,,ZINC000084758235,CHEMBL2103855,50145648,TELOTRISTAT,177736,25025298,CC1=NN(C=C1)C1=CC(Cl)=CC=C1[C@@H](OC1=NC(N)=NC(=C1)C1=CC=C(C[C@H](N)C(O)=O)C=C1)C(F)(F)F,"InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22+/m0/s1",NCLGDOBQAWBXRA-PGRDOPGGSA-N
DB14219,2756-87-8,Monomethyl fumarate,"['experimental', 'approved', 'investigational']",,,,1546433,,,,ZINC000004416885,CHEMBL589586,50342426,MONOMETHYL FUMARATE,167450,5369209,COC(=O)\C=C\C(O)=O,"InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+",NKHAVTQWNUWKEO-NSCUHMNNSA-N
DB14221,5534-18-9,Beclomethasone 17-monopropionate,experimental,,,,1546384,,,,ZINC000022049777,CHEMBL2115116,,,,62965,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C25H33ClO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1",OHYGPBKGZGRQKT-XGQKBEPLSA-N
DB14222,,Bifidobacterium longum infantis,"['experimental', 'approved']",,,,100213,,,,,,,,,,,,
DB14223,,Clostridium botulinum,experimental,,,,1811178,,,,,,,,,,,,
DB14224,,Lactobacillus reuteri,"['experimental', 'investigational']",,,,285156,,,,,,,,,,,,
DB14225,,Enterococcus faecium,experimental,,,,1943794,,,,,,,,,,,,
DB14226,,Lactobacillus helveticus,experimental,,,,1310845,,,,,,,,,,,,
DB14227,14133-76-7,Technetium Tc-99m,experimental,,,,90650,,,,,,,,33371,26476,[99Tc],InChI=1S/Tc/i1+2,GKLVYJBZJHMRIY-NJFSPNSNSA-N
DB14228,3909-12-4,Threonic acid,experimental,,,,1547557,,,,ZINC000000901060,,,,49059,151152,OC[C@@H](O)[C@H](O)C(O)=O,"InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1",JPIJQSOTBSSVTP-GBXIJSLDSA-N
DB14229,,Lowbush blueberry,experimental,,,,1311630,,,,,,,,,,,,
DB14230,,Albumin Aggregated,approved,,,,317176,,,,,,,,,,,,
DB14231,8004-92-0,Quinoline Yellow WS,experimental,,,,1305564,,,,,,,,,,,,
DB14232,603-41-8,Deacetylbisacodyl,experimental,,,,1872905,,,,ZINC000005224913,CHEMBL3544537,,,,69046,OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C1=CC=CC=N1,"InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H",LJROKJGQSPMTKB-UHFFFAOYSA-N
DB14233,93685-90-6,Egg phospholipids,"['experimental', 'approved', 'investigational']",,,,349762,,,,,,,,,,,,
DB14234,,Sus scrofa stomach,experimental,,,,1311242,,,,,,,,,,,,
DB14235,,Bilberry,"['experimental', 'approved']",,,,125929,,,,,,,,,,,,
DB14236,,Aloe vera leaf polysaccharides,experimental,,,,1739980,,,,,,,,,,,,
DB14237,,Echinacea angustifolia root,"['experimental', 'approved']",,,,477379,,,,,,,,,,,,
DB14238,,Echinacea purpurea flowering top,"['experimental', 'approved']",,,,477531,,,,,,,,,,,,
DB14239,,Echinacea purpurea,"['experimental', 'approved']",,,,260025,,,,,,,,,,,,
DB14240,,Echinacea,"['experimental', 'approved']",,,,228041,,,,,,,,,,,,
DB14241,,"Caviar, unspecified","['experimental', 'approved']",,,,1425214,,,,,,,,,,,,
DB14242,8028-66-8,Honey,"['experimental', 'approved']",,,,285279,,,,,,,,,,,,
DB14243,,Sus scrofa placenta,experimental,,,,1311338,,,,,,,,,,,,
DB14244,,Garden snail mucin,experimental,,,,1428846,,,,,,,,,,,,
DB14245,,"Snail, unspecified","['experimental', 'approved']",,,,1368534,,,,,,,,,,,,
DB14246,9007-34-5,"Marine collagen, soluble",experimental,,,,1368163,,,,,,,,,,,,
DB14247,,Moschus berezovskii musk sac resin,experimental,,,,1494846,,,,,,,,,,,,
DB14248,,Bos taurus gallstone,experimental,,,,1737793,,,,,,,,,,,,
DB14249,,Pearl (hyriopsis cumingii),experimental,,,,1438509,,,,,,,,,,,,
DB14250,8031-67-2,Royal jelly,experimental,,,,35805,,,,,,,,,,,,
DB14251,,Ostrea edulis shell,experimental,,,,1438113,,,,,,,,,,,,
DB14252,61789-91-1,Jojoba oil,"['experimental', 'approved', 'investigational']",,,,1309258,,,,,,,,,,,,
DB14253,,Avena sativa flowering top,"['experimental', 'approved']",,,,1309702,,,,,,,,,,,,
DB14254,,Aloe vera flower,"['experimental', 'approved']",,,,1309199,,,,,,,,,,,,
DB14255,,Angelica dahurica root,experimental,,,,1306167,,,,,,,,,,,,
DB14256,,Centella asiatica,"['experimental', 'approved', 'investigational']",,,,1807125,,,,,,,,,,,,
DB14257,,Aloe ferox leaf,"['experimental', 'approved']",,,,1309503,,,,,,,,,,,,
DB14258,,Elm,"['experimental', 'approved']",,,,1372006,,,,,,,,,,,,
DB14259,,Eucommia ulmoides bark,experimental,,,,1309788,,,,,,,,,,,,
DB14260,,Stypocaulon scoparium,experimental,,,,1426635,,,,,,,,,,,,
DB14261,,Panax ginseng fruit,experimental,,,,1311648,,,,,,,,,,,,
DB14262,,Bird pepper,"['experimental', 'approved']",,,,1370777,,,,,,,,,,,,
DB14263,,Calendula officinalis flower,"['experimental', 'approved']",,,,1309289,,,,,,,,,,,,
DB14264,,Maclura tricuspidata whole,experimental,,,,1358962,,,,,,,,,,,,
DB14265,,Momordica charantia fruit,experimental,,,,1306885,,,,,,,,,,,,
DB14266,,Tribulus terrestris root,experimental,,,,1306058,,,,,,,,,,,,
DB14267,,Rumex crispus whole,"['experimental', 'approved']",,,,1360628,,,,,,,,,,,,
DB14268,,Swertia japonica whole flowering,experimental,,,,1370776,,,,,,,,,,,,
DB14269,,Nardostachys chinensis whole,experimental,,,,1358963,,,,,,,,,,,,
DB14270,,Simmondsia chinensis seed,experimental,,,,1309470,,,,,,,,,,,,
DB14271,,Morus alba root bark,experimental,,,,1310055,,,,,,,,,,,,
DB14272,,Rosemary,experimental,,,,1314597,,,,,,,,,,,,
DB14273,,Ocimum tenuiflorum top,"['experimental', 'approved']",,,,1311561,,,,,,,,,,,,
DB14274,,Salix alba bark,"['experimental', 'approved']",,,,1307749,,,,,,,,,,,,
DB14275,,Indian frankincense,"['experimental', 'approved', 'investigational']",,,,485858,,,,,,,,,,,,
DB14276,,Turmeric,"['experimental', 'approved', 'investigational']",,,,1114883,,,,,,,,,,,,
DB14277,,Tripterygium wilfordii whole,experimental,,,,1440289,,,,,,,,,,,,
DB14278,,Carthamus tinctorius flower bud,"['experimental', 'approved']",,,,1376213,,,,,,,,,,,,
DB14279,,Corydalis ambigua tuber,"['experimental', 'approved']",,,,1376214,,,,,,,,,,,,
DB14280,,Lonicera caprifolium flower,"['experimental', 'approved']",,,,1307960,,,,,,,,,,,,
DB14281,,Lagerstroemia indica whole,experimental,,,,1370984,,,,,,,,,,,,
DB14282,,Phellinus linteus mycelium,experimental,,,,1312717,,,,,,,,,,,,
DB14283,,Angelica archangelica root,"['experimental', 'approved']",,,,1309828,,,,,,,,,,,,
DB14284,,Panax ginseng whole,experimental,,,,1370774,,,,,,,,,,,,
DB14285,,Ginkgo biloba leaf oil,experimental,,,,1356135,,,,,,,,,,,,
DB14286,,Panax ginseng root oil,experimental,,,,1309490,,,,,,,,,,,,
DB14287,,Trametes versicolor fruiting body,experimental,,,,1370985,,,,,,,,,,,,
DB14288,,Kaempferia galanga root,"['experimental', 'approved']",,,,1310098,,,,,,,,,,,,
DB14289,,Larix sibirica wood,"['experimental', 'approved']",,,,1314302,,,,,,,,,,,,
DB14290,,Rehmannia glutinosa root,experimental,,,,1309220,,,,,,,,,,,,
DB14291,,Wormwood,"['experimental', 'approved']",,,,1309324,,,,,,,,,,,,
DB14292,,Acorus calamus root,experimental,,,,1310280,,,,,,,,,,,,
DB14293,,Eutrema japonicum whole,experimental,,,,1606332,,,,,,,,,,,,
DB14294,,Styphnolobium japonicum flower bud,experimental,,,,1660771,,,,,,,,,,,,
DB14295,,Reynoutria multiflora root,experimental,,,,1309940,,,,,,,,,,,,
DB14296,,Panax quinquefolius whole,"['experimental', 'investigational']",,,,1428042,,,,,,,,,,,,
DB14297,8057-65-6,Arnica montana,"['experimental', 'investigational']",,,,285208,,,,,,,,,,,,
DB14298,8001-48-7,Gambir,experimental,,,,1609190,,,,,,,,,,,,
DB14299,,Mucuna pruriens seed,experimental,,,,1485786,,,,,,,,,,,,
DB14300,,Erythroxylum catuaba bark,experimental,"['31640255', '15991001']",,,1609189,,,,,,,,,,,,
DB14301,,Epimedium grandiflorum top,experimental,,,,1311044,,,,,,,,,,,,
DB14302,,Turnera diffusa leaf,experimental,,,,282470,,,,,,,,,,,,
DB14303,,Eleuthero,"['experimental', 'approved']",,,,259393,,,,,,,,,,,,
DB14304,,Panax notoginseng root,"['experimental', 'investigational']",,,,1365707,,,,,,,,,,,,
DB14305,,Tribulus terrestris fruit,experimental,,,,1311579,,,,,,,,,,,,
DB14306,,Juglans regia shell,experimental,,,,1424881,,,,,,,,,,,,
DB14307,,Green tea leaf,"['experimental', 'investigational']",,,,659476,,,,,,,,,,,,
DB14308,,Camellia japonica seed oil,experimental,,,,1306161,,,,,,,,,,,,
DB14309,153065-40-8,Meadowfoam seed oil,experimental,,,,1309256,,,,,,,,,,,,
DB14310,,Argan oil,experimental,,,,1305642,,,,,,,,,,,,
DB14311,194043-92-0,Shea butter,experimental,,,,1310571,,,,,,,,,,,,
DB14312,84775-66-6,Glycyrrhiza glabra,"['experimental', 'approved']",,,,1010954,,,,,,,,,,,,
DB14313,,Lawsonia inermis leaf,experimental,,,,1307699,,,,,,,,,,,,
DB14314,,Indigofera tinctoria leaf,experimental,,,,1607314,,,,,,,,,,,,
DB14315,,Calendula officinalis whole,experimental,,,,1428027,,,,,,,,,,,,
DB14316,,Tangerine peel,experimental,,,,1305532,,,,,,,,,,,,
DB14317,,Pomegranate,"['experimental', 'investigational']",,,,1246101,,,,,,,,,,,,
DB14318,,Macadamia seed oil glycereth-8 esters,experimental,,,,1429937,,,,,,,,,,,,
DB14319,,Magnolia kobus flowering top,experimental,,,,1801506,,,,,,,,,,,,
DB14320,,Eucalyptus globulus leaf,"['experimental', 'approved']",,,,1305545,,,,,,,,,,,,
DB14321,,Bambusa vulgaris top,experimental,,,,1314332,,,,,,,,,,,,
DB14322,8001-31-8,Coconut oil,experimental,,,,1309239,,,,,,,,,,,,
DB14323,8016-21-5,Grape seed oil,experimental,,,,1309208,,,,,,,,,,,,
DB14324,72869-69-3,Apricot kernel oil,"['experimental', 'approved']",,,,1318515,,,,,,,,,,,,
DB14325,,Schisandra chinensis fruit,experimental,,,,1311675,,,,,,,,,,,,
DB14326,9000-02-6,Amber,experimental,,,,1311393,,,,,,,,,,,,
DB14327,,Purslane,"['experimental', 'approved']",,,,1424645,,,,,,,,,,,,
DB14328,,Chamaemelum nobile flower,experimental,,,,1306194,,,,,,,,,,,,
DB14329,8001-21-6,Sunflower oil,"['experimental', 'investigational']",,,,37422,,,,,,,,,,,,
DB14330,,Macadamia oil,experimental,,,,1307956,,,,,,,,,,,,
DB14331,,Heterotheca inuloides flower,"['experimental', 'approved']",,,,1372928,,,,,,,,,,,,
DB14332,,Inonotus obliquus fruiting body,"['experimental', 'approved']",,,,1311610,,,,,,,,,,,,
DB14333,,Nelumbo nucifera flower,"['experimental', 'approved']",,,,1309447,,,,,,,,,,,,
DB14334,84836-98-6,Hydrogenated coconut oil,experimental,,,,1307683,,,,,,,,,,,,
DB14335,8007-75-8,Bergamot oil,experimental,,,,1305651,,,,,,,,,,,,
DB14336,,Angelica sinensis root,experimental,,,,1307866,,,,,,,,,,,,
DB14337,,Salvia miltiorrhiza root,experimental,,,,1307580,,,,,,,,,,,,
DB14338,,Atractylodes lancea root oil,"['experimental', 'approved']",,,,,,,,,,,,,,,,
DB14339,,Scutellaria lateriflora,"['experimental', 'approved']",,,,262263,,,,,,,,,,,,
DB14340,,Prunus armeniaca seed,experimental,,,,1309458,,,,,,,,,,,,
DB14341,,Chamaecyparis obtusa wood oil,experimental,,,,1305633,,,,,,,,,,,,
DB14342,,Taraxacum officinale leaf,experimental,,,,1309287,,,,,,,,,,,,
DB14343,,Arnica montana flower,"['experimental', 'approved']",,,,283674,,,,,,,,,,,,
DB14344,,Lonicera confusa flower,experimental,,,,1492937,,,,,,,,,,,,
DB14345,,Forsythia suspensa fruit,experimental,,,,1311590,,,,,,,,,,,,
DB14346,,Mentha arvensis top,experimental,,,,1599157,,,,,,,,,,,,
DB14347,,Platycodon grandiflorus root,experimental,,,,1307614,,,,,,,,,,,,
DB14348,,Citrus junos fruit,experimental,,,,1366324,,,,,,,,,,,,
DB14349,,Equisetum arvense top,"['experimental', 'approved']",,,,1306235,,,,,,,,,,,,
DB14350,,Inula helenium root,"['experimental', 'approved']",,,,1309723,,,,,,,,,,,,
DB14351,,Usnea barbata,"['experimental', 'approved']",,,,1426661,,,,,,,,,,,,
DB14352,,Azadirachta indica leaf,"['experimental', 'approved']",,,,1307640,,,,,,,,,,,,
DB14353,,Zanthoxylum clava-herculis whole,"['experimental', 'approved']",,,,1863582,,,,,,,,,,,,
DB14354,,Salix alba bark volatile oil,experimental,,,,1305659,,,,,,,,,,,,
DB14355,,Apple fruit oil,experimental,,,,1485785,,,,,,,,,,,,
DB14356,,Platycodon grandiflorus leaf,experimental,,,,1309786,,,,,,,,,,,,
DB14357,,Chamomile,"['experimental', 'approved', 'investigational']",,,,285157,,,,,,,,,,,,
DB14358,,Tribulus terrestris,experimental,,,,1370988,,,,,,,,,,,,
DB14359,,Tremella fuciformis whole,experimental,,,,1539416,,,,,,,,,,,,
DB14360,,Saw palmetto,"['experimental', 'approved', 'investigational']",,,,350488,,,,,,,,,,,,
DB14361,,Rice bran,"['experimental', 'approved']",,,,1356151,,,,,,,,,,,,
DB14362,,Moringa oleifera leaf,experimental,,,,1307834,,,,,,,,,,,,
DB14363,,Rosa centifolia flower oil,experimental,,,,1305664,,,,,,,,,,,,
DB14364,,Scutellaria baicalensis root,experimental,,,,1307750,,,,,,,,,,,,
DB14365,,Garcinia gummi-gutta fruit,experimental,,,,1311595,,,,,,,,,,,,
DB14366,,Ilex paraguariensis leaf,experimental,,,,1305743,,,,,,,,,,,,
DB14367,,Chondrus crispus,experimental,,,,1426885,,,,,,,,,,,,
DB14368,,Capsicum annuum whole,experimental,,,,1314843,,,,,,,,,,,,
DB14369,,Typhonium giganteum whole,experimental,,,,1999320,,,,,,,,,,,,
DB14370,,Phellodendron amurense bark,experimental,,,,1307947,,,,,,,,,,,,
DB14371,6147-11-1,Mangostin,experimental,,,,,,,,,,,,,,,,
DB14372,,Melaleuca alternifolia leaf,experimental,,,,1309330,,,,,,,,,,,,
DB14373,,Quercus acutissima whole,experimental,,,,1995249,,,,,,,,,,,,
DB14374,1332-09-8,Pumice,experimental,,,,1989334,,,,,,,,,,,,
DB14375,65666-07-1,Milk thistle,"['experimental', 'approved', 'investigational']",,,,350520,,,,,,,,,,,,
DB14376,,Chicory leaf,experimental,,,,2001615,,,,,,,,,,,,
DB14377,8002-75-3,Palm oil,experimental,,,,32809,,,,,,,,,,,,
DB14378,92201-50-8,Camphor leaf oil,experimental,,,,1306163,,,,,,,,,,,,
DB14379,,Zanthoxylum clava-herculis bark,experimental,,,,1863581,,,,,,,,,,,,
DB14382,,Influenza A virus A/California/7/2009 (H1N1)-like hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14383,,Influenza A virus A/California/7/2009 X-179A (H1N1) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14384,,Influenza A virus A/Victoria/210/2009 X-187 (H3N2) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14385,,Influenza B virus B/Brisbane/60/2008 hemagglutinin antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB14386,,Influenza A virus A/Victoria/361/2011 IVR-165 (H3N2) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14387,,Influenza B virus B/Texas/6/2011 hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14388,,Bordetella pertussis toxoid antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14389,,Influenza A virus A/Texas/50/2012 X-223A (H3N2) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14390,,Influenza B virus B/Massachusetts/2/2012 hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14391,,Influenza A virus A/Christchurch/16/2010 NIB-74 (H1N1) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14392,,Influenza A virus A/Texas/50/2012 X-223 (H3N2) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14393,,Influenza B virus B/Massachusetts/2/2012 hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14394,,Influenza A virus A/California/7/2009 (H1N1) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB14395,,Influenza A virus A/Victoria/361/2011 (H3N2) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB14396,,Influenza B virus B/Wisconsin/1/2010 live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB14397,,Influenza B virus B/Massachusetts/2/2012 BX-51B hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14398,,"Influenza A virus A/Brisbane/10/2010 (H1N1) hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14399,,"Influenza A virus A/Texas/50/2012 X-223A (H3N2) hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14400,,"Influenza B virus B/Massachusetts/2/2012 hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14401,,Influenza B virus B/Massachusetts/2/2012 BX-51B hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14402,,Influenza A virus A/Switzerland/9715293/2013 NIB-88 (H3N2) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14403,,Influenza B virus B/Phuket/3073/2013 hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14404,,Influenza A virus A/California/7/2009 X-181 (H1N1) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14405,,Influenza A virus A/Switzerland/9715293/2013 NIB-88 (H3N2) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14406,,Influenza B virus B/Brisbane/9/2014 hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14407,,Influenza B virus B/Phuket/3073/2013 hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14408,,Influenza A virus A/South Australia/55/2014 IVR-175 (H3N2) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14409,,Human adenovirus e serotype 4 strain cl-68578 antigen,approved,,,,1099933,,,,,,,,,,,,
DB14410,,Human adenovirus b serotype 7,approved,,,,1802483,,,,,,,,,,,,
DB14411,,Influenza A virus A/Victoria/361/2011 IVR-165 (H3N2) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14412,,Influenza B virus B/Hubei-Wujiagang/158/2009 BX-39 hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14413,,Influenza A virus A/Hong Kong/4801/2014 X-263B (H3N2) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14414,,"Influenza A virus A/California/7/2009 X-179A (H1N1) hemagglutinin antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14415,,"Influenza A virus A/Switzerland/9715293/2013 NIB-88 (H3N2) hemagglutinin antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14416,,"Influenza B virus B/Phuket/3073/2013 hemagglutinin antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14417,,Influenza A virus A/Hong Kong/4801/2014 (H3N2) recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB14418,,Influenza B virus B/Brisbane/60/2008 recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB14419,,Influenza A virus A/Christchurch/16/2010 NIB-74XP (H1N1) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14420,,"Influenza A virus A/South Australia/55/2014 (H3N2) hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14421,,"Influenza B virus B/Utah/9/2014 hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14422,,Influenza A virus A/Michigan/45/2015 X-275 (H1N1) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14423,,Influenza A virus A/Michigan/45/2015 (H1N1) recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB14424,,Influenza A virus A/Hong Kong/4801/2014 X-263B (H3N2) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14425,,Influenza A virus A/Slovenia/2903/2015 (H1N1) live (attenuated) antigen,approved,,,,1946964,,,,,,,,,,,,
DB14426,,Influenza A virus A/New caledonia/71/2014 (H3N2) live (attenuated) antigen,approved,,,,1801767,,,,,,,,,,,,
DB14427,,Neisseria meningitidis group a capsular oligosaccharide diphtheria crm197 protein conjugate antigen,approved,,,,901505,,,,,,,,,,,,
DB14428,,Neisseria meningitidis group c capsular oligosaccharide diphtheria crm197 protein conjugate antigen,approved,,,,901507,,,,,,,,,,,,
DB14429,,Neisseria meningitidis group w-135 capsular oligosaccharide diphtheria crm197 protein conjugate antigen,approved,,,,901509,,,,,,,,,,,,
DB14430,,Neisseria meningitidis group y capsular oligosaccharide diphtheria crm197 protein conjugate antigen,approved,,,,901511,,,,,,,,,,,,
DB14431,,Influenza A virus A/Singapore/gp1908/2015 IVR-180 (H1N1) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14432,,Influenza A virus A/Singapore/gp1908/2015 IVR-180 (H1N1) hemagglutinin antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14433,,"Influenza A virus A/Singapore/gp1908/2015 IVR-180 (H1N1) hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14434,,"Influenza A virus A/Singapore/gp2050/2015 (H3N2) hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14435,,"Influenza B virus B/Hong Kong/259/2010 hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,1801603,,,,,,,,,,,,
DB14436,,"Influenza A virus A/Hong Kong/4801/2014 (H3N2) hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14437,,"Influenza A virus A/Singapore/gp1908/2015 IVR-180 (H1N1) hemagglutinin antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14438,,"Influenza A virus A/Hong Kong/4801/2014 X-263B (H3N2) hemagglutinin antigen (UV, formaldehyde inactivated)",approved,,,,1794331,,,,,,,,,,,,
DB14439,,"Influenza B virus B/Brisbane/60/2008 hemagglutinin antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14440,,Influenza A virus A/Singapore/GP1908/2015 IVR-180A (H1N1) hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14441,,Influenza B virus B/Brisbane/46/2015 hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14442,,Influenza B virus B/Phuket/3073/2013 BVR-1B hemagglutinin antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14443,1704499-30-8,Vibrio cholerae CVD 103-HgR strain live antigen,"['approved', 'investigational']",,,,1812935,,,,,,,,,,,,
DB14444,,Influenza A virus A/California/7/2009 (H1N1)-like antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14445,,Influenza A virus A/Victoria/210/2009 X-187 (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14446,,Influenza A virus A/South Dakota/6/2007 (H1N1) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB14447,,Influenza A virus A/Uruguay/716/2007(H3N2) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB14449,,Influenza A virus A/Perth/16/2009 (H3N2) live (attenuated) antigen,approved,,,,1005911,,,,,,,,,,,,
DB14450,,Influenza A virus A/Victoria/361/2011 IVR-165 (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14451,,Influenza B virus B/Texas/6/2011 antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14452,,Influenza A virus A/Texas/50/2012 X-223A (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14453,,Influenza B virus B/Massachusetts/2/2012 antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14454,,Influenza B virus B/Massachusetts/2/2012 BX-51B antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14455,,Influenza A virus A/California/7/2009 X-181 (H1N1) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14456,,Influenza B virus B/Brisbane/9/2014 antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14457,,Influenza A virus A/Hong Kong/4801/2014 X-263B (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14458,,Influenza A virus A/Michigan/45/2015 X-275 (H1N1) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14459,,Influenza A virus A/Hong Kong/4801/2014 X-263B (H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14460,,Influenza A virus A/Singapore/gp1908/2015 IVR-180 (H1N1) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14461,,Influenza A virus A/Singapore/gp1908/2015 IVR-180 (H1N1) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14462,,"Influenza A virus A/Singapore/GP1908/2015 IVR-180 (H1N1) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14463,,"Influenza A virus A/Singapore/GP2050/2015 (H3N2) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14464,,"Influenza B virus B/Hong Kong/259/2010 antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14465,,"Influenza A virus A/Hong Kong/4801/2014 (H3N2) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14466,,"Influenza A virus A/Singapore/GP1908/2015 IVR-180 (H1N1) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14467,,"Influenza A virus A/Hong Kong/4801/2014 X-263B (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14468,,Influenza A virus A/Singapore/GP1908/2015 IVR-180A (H1N1) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14469,,Influenza B virus B/Brisbane/46/2015 antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14470,,Influenza B virus B/Phuket/3073/2013 BVR-1B antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14471,75005-95-7,2-Ethylhexyl 4-phenylbenzophenone-2'-carboxylate,experimental,,,,1546353,,,,,,,,,135606,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C28H30O3/c1-3-5-11-21(4-2)20-31-28(30)26-15-10-9-14-25(26)27(29)24-18-16-23(17-19-24)22-12-7-6-8-13-22/h6-10,12-19,21H,3-5,11,20H2,1-2H3",TWAOKHHZKFMFMD-UHFFFAOYSA-N
DB14472,67763-97-7,Insulin-like growth factor II,experimental,,,,1728770,,,,,,,,,,,,
DB14473,9001-27-8,Beroctocog alfa,"['approved', 'investigational']",,,,4257,,,,,,,,,,,,
DB14474,12441-09-7,Sorbitan,experimental,,,,1307571,,,,ZINC000005157121,,,,,10953859,[H][C@@](O)(CO)[C@@]1([H])OC[C@]([H])(O)[C@@]1([H])O,"InChI=1S/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1",JNYAEWCLZODPBN-JGWLITMVSA-N
DB14475,79-33-4,L-Lactic acid,"['experimental', 'approved']",,,,1427172,,2OP,,ZINC000004658560,CHEMBL330546,,,422,107689,C[C@H](O)C(O)=O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",JVTAAEKCZFNVCJ-REOHCLBHSA-N
DB14476,10191-41-0,DL-alpha-Tocopherol,"['experimental', 'approved', 'investigational']",,,,220893,,,,,CHEMBL49563,50436220,,93909,2116,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3",GVJHHUAWPYXKBD-UHFFFAOYSA-N
DB14477,52225-20-4,DL-alpha tocopheryl acetate,"['experimental', 'approved']",,,,317841,,,,,CHEMBL247481,,,182695,2117,,,
DB14478,9003-39-8,Povidone K30,"['experimental', 'approved']","['10362983', '28648795']",,,,,,,,,,,,,,,
DB14479,49793-39-7,Acetylcysteine zinc,experimental,,,,,,,,,,,,,12114682,[Zn++].CC(=O)N[C@@H](CS)C([O-])=O.CC(=O)N[C@@H](CS)C([O-])=O,"InChI=1S/2C5H9NO3S.Zn/c2*1-3(7)6-4(2-10)5(8)9;/h2*4,10H,2H2,1H3,(H,6,7)(H,8,9);/q;;+2/p-2/t2*4-;/m00./s1",KNVKDNCWDNRTOE-SCGRZTRASA-L
DB14480,38520-57-9,Acetylcysteine amide,experimental,,,,,,,,ZINC000034380691,,,,,10176265,[H]N([H])C(=O)[C@H](CS)N([H])C(C)=O,"InChI=1S/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1",UJCHIZDEQZMODR-BYPYZUCNSA-N
DB14481,7789-77-7,Calcium phosphate dihydrate,approved,18782374,,,1310463,,,,,,,,4496,104805,O.O.[Ca++].OP([O-])([O-])=O,"InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2",XAAHAAMILDNBPS-UHFFFAOYSA-L
DB14482,134-03-2,Sodium ascorbate,"['approved', 'nutraceutical']",,,D05853,,PA166163262,,,,CHEMBL591665,,ASCORBIC ACID SODIUM SALT,113451,23667548,[Na+].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO,"InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1",PPASLZSBLFJQEF-RXSVEWSESA-M
DB14483,5743-27-1,Calcium ascorbate,"['approved', 'nutraceutical']",,,,,,,,,CHEMBL2146095,,CALCIUM ASCORBATE,,54740489,[Ca++].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-],"InChI=1S/2C6H8O6.Ca/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1",BLORRZQTHNGFTI-ZZMNMWMASA-L
DB14484,15431-40-0,Magnesium ascorbate,"['approved', 'nutraceutical']",,,,,,,,,,,,,16211196,[Mg++].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO.[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO,"InChI=1S/2C6H8O6.Mg/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1",AIOKQVJVNPDJKA-ZZMNMWMASA-L
DB14485,331242-75-2,Zinc ascorbate,"['approved', 'nutraceutical']",,C05AX04,,,,,,,,,,,101160349,[Zn++].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO.[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO,"InChI=1S/2C6H8O6.Zn/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1",WWRJFSIRMWUMAE-ZZMNMWMASA-L
DB14486,1987-71-9,Niacinamide ascorbate,"['approved', 'nutraceutical']",,,,,,,,,,,,,54710212,NC(=O)C1=CN=CC=C1.[H]C(O)(CO)[C@@]1([H])OC(=O)C(O)=C1O,"InChI=1S/C6H6N2O.C6H8O6/c7-6(9)5-2-1-3-8-4-5;7-1-2(8)5-3(9)4(10)6(11)12-5/h1-4H,(H2,7,9);2,5,7-10H,1H2/t;2-,5+/m.0/s1",JMORAWFVNMGOKQ-MGMRMFRLSA-N
DB14487,557-34-6,Zinc acetate,"['approved', 'investigational']","['17244314', '25659970', '12142956', '18385818', '10801957', '29415457', '20856116', '22811602']","['A16AX05', 'C05AX04']",,1299637,,,,,CHEMBL1200928,,ZINC ACETATE,62984,11192,[Zn++].CC([O-])=O.CC([O-])=O,"InChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",DJWUNCQRNNEAKC-UHFFFAOYSA-L
DB14488,299-29-6,Ferrous gluconate,approved,,B03AA03,,,,,,,,,,,23616740,[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,"InChI=1S/2C6H12O7.Fe/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",VRIVJOXICYMTAG-IYEMJOQQSA-L
DB14489,10030-90-7,Ferrous succinate,approved,,B03AA06,,,,,,,,,,,10464762,[Fe++].[O-]C(=O)CCC([O-])=O,"InChI=1S/C4H6O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2",MDXRFOWKIZPNTA-UHFFFAOYSA-L
DB14490,24808-52-4,Ferrous ascorbate,approved,,B03AA10,,,,,,,,,,,101033550,[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-],"InChI=1S/2C6H8O6.Fe/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1",RFBYLSCVRUTUSB-ZZMNMWMASA-L
DB14491,141-01-5,Ferrous fumarate,approved,,"['B03AD02', 'B03AA02']",,,,,,,,,,31607,6433164,[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O,"InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;",PMVSDNDAUGGCCE-TYYBGVCCSA-L
DB14492,12298-68-9,Potassium triiodide,experimental,,,D00860,1376155,,,,,,,,5948,105053,[K+].I[I-]I,InChI=1S/I3.K/c1-3-2;/q-1;+1,DKNPRRRKHAEUMW-UHFFFAOYSA-N
DB14493,14281-83-5,Zinc glycinate,experimental,,,,1306063,,,,,,,,,151910,[Zn++].[H]N([H])CC([O-])=O.[H]N([H])CC([O-])=O,"InChI=1S/2C2H5NO2.Zn/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2",UOXSXMSTSYWNMH-UHFFFAOYSA-L
DB14494,5263-02-5,Zinc carbonate,experimental,,,,39935,,,,,,,,,11955398,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn++].[Zn++].[Zn++].[Zn++].[Zn++].[O-]C([O-])=O.[O-]C([O-])=O,"InChI=1S/2CH2O3.6H2O.5Zn/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);6*1H2;;;;;/q;;;;;;;;5*+2/p-10",UOURRHZRLGCVDA-UHFFFAOYSA-D
DB14495,10060-26-1,Manganese citrate,"['experimental', 'approved']",,,,283767,,,,,,,,,9937209,[Mn++].[Mn++].[Mn++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/2C6H8O7.3Mn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",OAVRWNUUOUXDFH-UHFFFAOYSA-H
DB14496,7631-95-0,Sodium molybdate,"['experimental', 'approved']",,,,36699,,,,,,,,75215,61424,[Na+].[Na+].[O-][Mo]([O-])(=O)=O,InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1,TVXXNOYZHKPKGW-UHFFFAOYSA-N
DB14497,1224727-39-2,Calcium magnesium potassium carbonate chloride hydroxide,experimental,,,,,,,,,,,,,,[OH-].[OH-].[OH-].[Mg++].[Cl-].[K++].[K++].[Ca++].[O-]C([O-])=O,"InChI=1S/CH2O3.Ca.ClH.2K.Mg.3H2O/c2-1(3)4;;;;;;;;/h(H2,2,3,4);;1H;;;;3*1H2/q;+2;;3*+2;;;/p-6",RUGQTQJQCSDUFS-UHFFFAOYSA-H
DB14498,127-08-2,Potassium acetate,"['approved', 'investigational']",,B05XA17,,,,,,,CHEMBL1201058,,POTASSIUM ACETATE,32029,517044,[K+].CC([O-])=O,"InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",SCVFZCLFOSHCOH-UHFFFAOYSA-M
DB14499,7778-80-5,Potassium sulfate,"['approved', 'investigational']",,,,,,,,,CHEMBL2021424,,POTASSIUM SULFATE,32036,24507,[K+].[K+].[O-]S([O-])(=O)=O,"InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",OTYBMLCTZGSZBG-UHFFFAOYSA-L
DB14500,7440-09-7,Potassium,"['experimental', 'approved']","['15405024', '26854277', '18724413', '2689836', '23674806', '26371733', '29540487', '27455317', '29693633', '1181976', '20721655']","['C03AB09', 'C03AB04', 'C03AB03', 'C03AB06', 'C03AB07', 'C03AB05', 'C03BB04', 'C03BB02', 'C03AB08', 'C03AB02', 'C03BB03', 'C03CB02', 'C03AB01', 'C03BB05', 'C03CB01', 'C03BB07']",,8588,,,,,,,,32589,,[KH],InChI=1S/K.H,NTTOTNSKUYCDAV-UHFFFAOYSA-N
DB14501,14729-84-1,Ferrous glycine sulfate,approved,,B03AA01,,,,,,,,,,,76964591,[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O,"InChI=1S/2C2H5NO2.Fe.H2O4S/c2*3-1-2(4)5;;1-5(2,3)4/h2*1,3H2,(H,4,5);;(H2,1,2,3,4)/q;;+2;/p-2",YJYOLOWXCPIBSY-UHFFFAOYSA-L
DB14502,7558-79-4,"Sodium phosphate, dibasic",approved,"['23398154', '20958267', '19298584', '18645612', '17652123']",,,,,,,,CHEMBL1060,,"SODIUM PHOSPHATE, DIBASIC, ANHYDROUS",34683,58592228,[Na+].[Na+].OP([O-])([O-])=O,"InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",BNIILDVGGAEEIG-UHFFFAOYSA-L
DB14503,,"Sodium phosphate, monobasic, unspecified form",approved,"['23398154', '20958267', '19298584', '18645612', '17652123']",,,,,,,,,,,,,,,
DB14504,10140-65-5,"Sodium phosphate, dibasic, unspecified form","['experimental', 'approved']",,,,,,,,,,,,,,,,
DB14505,1330-43-4,Sodium borate,"['experimental', 'approved']","['19059942', '21774671', '1432568']",S01AX07,,,,,,,,,,,10219853,[Na+].[Na+].[O-]B1OB2OB([O-])OB(O1)O2,InChI=1S/B4O7.2Na/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/q-2;2*+1,UQGFMSUEHSUPRD-UHFFFAOYSA-N
DB14506,1310-65-2,Lithium hydroxide,"['withdrawn', 'approved']",,,,1546375,,,,,,,,33979,3939,[Li+].[OH-],InChI=1S/Li.H2O/h;1H2/q+1;/p-1,WMFOQBRAJBCJND-UHFFFAOYSA-M
DB14507,919-16-4,Lithium citrate,approved,20453535,,,,,,,,CHEMBL1201170,,LITAREX,64735,13520,[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",WJSIUCDMWSDDCE-UHFFFAOYSA-K
DB14508,29126-50-9,Lithium succinate,experimental,,D11AX04,,,,,,,CHEMBL3707288,,,,59185094,[Li+].[Li+].[O-]C(=O)CCC([O-])=O,"InChI=1S/C4H6O4.2Li/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",WAHQBNXSPALNEA-UHFFFAOYSA-L
DB14509,554-13-2,Lithium carbonate,approved,"['20453535', '19442155', '10411946', '29763168']",,,,,,,,CHEMBL1200826,,NSC-16895,6504,516884,[Li+].[Li+].[O-]C([O-])=O,"InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",XGZVUEUWXADBQD-UHFFFAOYSA-L
DB14510,15438-31-0,Ferrous cation,experimental,,,,1541238,,FE2,,,,,,29033,27284,[Fe++],InChI=1S/Fe/q+2,CWYNVVGOOAEACU-UHFFFAOYSA-N
DB14511,71-50-1,Acetate,experimental,,,,164,,ACT,,,,50159793,,30089,175,CC([O-])=O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1",QTBSBXVTEAMEQO-UHFFFAOYSA-M
DB14512,83919-23-7,Mometasone furoate,"['vet_approved', 'approved', 'investigational']","['14595701', '16054538', '11449203', '11589253']","['D07XC03', 'R01AD09', 'R03BA07', 'R03AK09', 'D07AC13']",D00690,,,MOF,1832,ZINC000003938677,CHEMBL1161,50148733,MOMETASONE FUROATE,47564,441336,[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",WOFMFGQZHJDGCX-ZULDAHANSA-N
DB14513,7439-95-4,Magnesium,"['experimental', 'approved', 'investigational']","['30085578', '29661354', '23095498', '18568054', '26404370', '29093983', '26069819', '26599617']",,,6574,,,,,CHEMBL2146125,,MAGNESIUM,,,[MgH2],InChI=1S/Mg.2H,RSHAOIXHUHAZPM-UHFFFAOYSA-N
DB14514,58505-81-0,Magnesium levulinate,nutraceutical,,A12CC07,,,,,,,CHEMBL3707302,,,,129722550,[Mg++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O,"InChI=1S/2C5H8O3.Mg/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2",RECCGACJWKEPOU-UHFFFAOYSA-L
DB14515,18917-93-6,Magnesium lactate,nutraceutical,,A12CC06,,,,,,,CHEMBL3707281,,MAGNESIUM LACTATE,,5319192,[Mg++].CC(O)C([O-])=O.CC(O)C([O-])=O,"InChI=1S/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",OVGXLJDWSLQDRT-UHFFFAOYSA-L
DB14516,17341-25-2,Sodium cation,experimental,,,,1364429,,NA,,,,,,29101,923,[Na+],InChI=1S/Na/q+1,FKNQFGJONOIPTF-UHFFFAOYSA-N
DB14517,7784-30-7,Aluminium phosphate,"['approved', 'investigational']",,A02AB03,,,,,,,CHEMBL3833315,,ALUMINUM PHOSPHATE,,64655,[Al+3].[O-]P([O-])([O-])=O,"InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",ILRRQNADMUWWFW-UHFFFAOYSA-K
DB14518,139-12-8,Aluminum acetate,"['approved', 'investigational']",,,,,,,,,CHEMBL1201015,,ALUMINIUM ACETATE,,8757,[Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O,"InChI=1S/3C2H4O2.Al/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",WCOATMADISNSBV-UHFFFAOYSA-K
DB14519,22537-23-1,Aluminum cation,experimental,,,,1546162,,AL,,,,,,49470,104727,[Al+3],InChI=1S/Al/q+3,REDXJYDRNCIFBQ-UHFFFAOYSA-N
DB14520,,Tetraferric tricitrate decahydrate,approved,"['25053935', '24778671', '29083637', '23548912', '25987821', '1174047']",V03AE08,,,,,,,,,,,90478690,O.O.O.O.O.O.O.O.O.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O,"InChI=1S/3C6H7O7.4Fe.10H2O/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;;;;;/h3*1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;10*1H2/q3*-1;4*+3;;;;;;;;;;/p-9",UISKQNNAQKPSDO-UHFFFAOYSA-E
DB14521,14701-21-4,Silver cation,experimental,,,,1358876,,AG,,,CHEMBL1230866,,SILVER COLLOIDAL,49468,104755,[Ag+],InChI=1S/Ag/q+1,FOIXSVOLVBLSDH-UHFFFAOYSA-N
DB14522,14280-30-9,Hydroxide ion,experimental,,,,1314279,,OH,,,,,,16234,961,[O-][H],InChI=1S/H2O/h1H2/p-1,XLYOFNOQVPJJNP-UHFFFAOYSA-M
DB14523,14265-44-2,Phosphate ion,experimental,,,,486961,,PO4,,,,50155537,,18367,1061,[O-]P([O-])([O-])=O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3",NBIIXXVUZAFLBC-UHFFFAOYSA-K
DB14524,22537-33-3,Gallium cation,experimental,,,,1546282,,GA,,,,,,84043,105145,[Ga+3],InChI=1S/Ga/q+3,CKHJYUSOUQDYEN-UHFFFAOYSA-N
DB14525,16065-83-1,Chromic cation,experimental,,,,1546418,,CR,,,,,,49544,27668,[Cr+3],InChI=1S/Cr/q+3,BFGKITSFLPAWGI-UHFFFAOYSA-N
DB14526,57072-40-9,Chromic citrate,experimental,"['10705100', '22423897', '3886757']",,,,,,,,,,,,6453431,[Cr+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/C6H8O7.Cr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",SWXXYWDHQDTFSU-UHFFFAOYSA-K
DB14527,13548-38-4,Chromic nitrate,approved,"['10705100', '22423897', '3886757']",,,,,,,,,,,86204,24598,[Cr+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,InChI=1S/Cr.3NO3/c;3*2-1(3)4/q+3;3*-1,PHFQLYPOURZARY-UHFFFAOYSA-N
DB14528,33661-40-4,Chromium gluconate,approved,"['10705100', '22423897', '3886757']",,,,,,,,,,,,71587119,[Cr+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,"InChI=1S/3C6H12O7.Cr/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;/h3*2-5,7-11H,1H2,(H,12,13);/q;;;+3/p-3/t3*2-,3-,4+,5-;/m111./s1",ANPGUZATXCGJJH-OPDGVEILSA-K
DB14529,64452-96-6,Chromium nicotinate,"['experimental', 'approved']","['10705100', '22423897', '3886757']",,,,,,,,,,,50368,9909912,[Cr+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1,"InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3",MSPQQAUTCRWLGR-UHFFFAOYSA-K
DB14530,13825-86-0,Chromous sulfate,approved,"['10705100', '22423897', '3886757']",,,,,,,,,,,,61686,[Cr++].[O-]S([O-])(=O)=O,"InChI=1S/Cr.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",RYPRIXSYXLDSOA-UHFFFAOYSA-L
DB14531,3812-32-6,Carbonate ion,experimental,,,,1544139,,CO3,,,,26987,,41609,19660,[O-]C([O-])=O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2",BVKZGUZCCUSVTD-UHFFFAOYSA-L
DB14532,23713-49-7,Zinc cation,experimental,,,,1546264,,ZN,,,CHEMBL1236970,16,ZINC ION,29105,32051,[Zn++],InChI=1S/Zn/q+2,PTFCDOFLOPIGGS-UHFFFAOYSA-N
DB14533,7646-85-7,Zinc chloride,"['approved', 'investigational']","['17244314', '23304467', '12142956', '18385818', '23914218', '2735321', '27996088']","['B05XA12', 'C05AX04']",,,,,,,CHEMBL1200679,,ZINC CHLORIDE,49976,3007855,[Cl-].[Cl-].[Zn++],InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2,JIAARYAFYJHUJI-UHFFFAOYSA-L
DB14534,20681-14-5,Gold cation (1+),experimental,,,,2045117,,AU,,,,,,49482,114945,[Au+],InChI=1S/Au/q+1,ZBKIUFWVEIBQRT-UHFFFAOYSA-N
DB14535,131391-70-3,Indium cation In-111,experimental,,,,1546281,,,,,,,,,9793721,[111In+3],InChI=1S/In/q+3/i1-4,RJMMFJHMVBOLGY-AHCXROLUSA-N
DB14536,,Strontium cation Sr-89,experimental,,,,2280602,,,,,,,,,3083408,[89Sr++],InChI=1S/Sr/q+2/i1+1,PWYYWQHXAPXYMF-OUBTZVSYSA-N
DB14537,,Chromate ion Cr-51,experimental,,,,,,,,,,,,,3080663,[O-][51Cr]([O-])(=O)=O,InChI=1S/Cr.4O/q;;;2*-1/i1-1;;;;,ZCDOYSPFYFSLEW-HONVGLGOSA-N
DB14538,74050-20-7,Hydrocortisone aceponate,"['experimental', 'vet_approved']","['13233328', '6461917', '12932892']",D07AC16,D06876,,,,1389,ZINC000004213508,CHEMBL2106309,,,135746,68921,[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",MFBMYAOAMQLLPK-FZNHGJLXSA-N
DB14539,50-03-3,Hydrocortisone acetate,"['vet_approved', 'approved']","['13233328', '6461917', '12932892']",,D00165,,,,4213,ZINC000003875333,CHEMBL1091,50474607,MICORT-HC,17609,5744,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",ALEXXDVDDISNDU-JZYPGELDSA-N
DB14540,13609-67-1,Hydrocortisone butyrate,"['vet_approved', 'approved']","['13233328', '6461917', '12932892']","['D07AB02', 'D07BB04']",D01619,,,,3959,ZINC000003977794,CHEMBL1683,323672,HYDROCORTISONE BUTYRATE,31674,26133,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1",BMCQMVFGOVHVNG-TUFAYURCSA-N
DB14541,508-99-6,Hydrocortisone cypionate,"['vet_approved', 'approved', 'investigational']","['13233328', '6461917', '12932892']",,D00976,,,,1390,ZINC000004097470,CHEMBL1549,50371265,HYDROCORTISONE CYPIONATE,5783,223253,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1",DLVOSEUFIRPIRM-KAQKJVHQSA-N
DB14542,3863-59-0,Hydrocortisone phosphate,"['vet_approved', 'approved']","['13233328', '6461917', '12932892']",,,,,,5193,ZINC000004097471,CHEMBL1641,,HYDROCORTISONE SODIUM PHOSPHATE,68634,441407,[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H31O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",BGSOJVFOEQLVMH-VWUMJDOOSA-N
DB14543,72590-77-3,Hydrocortisone probutate,"['vet_approved', 'approved']","['13233328', '6461917', '12932892']",D07AB11,D01886,,,,4569,ZINC000004213519,CHEMBL1200953,,HYDROCORTISONE PROBUTATE,31675,636398,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1",FOGXJPFPZOHSQS-AYVLZSQQSA-N
DB14544,57524-89-7,Hydrocortisone valerate,"['vet_approved', 'approved']","['13233328', '6461917', '12932892']",,,,,,4504,ZINC000004213520,CHEMBL1200562,,WESTCORT,50865,5282494,[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1",FZCHYNWYXKICIO-FZNHGJLXSA-N
DB14545,2203-97-6,Hydrocortisone succinate,approved,,,D01442,21651,,,,ZINC000004097472,CHEMBL977,50016931,SOLU-CORTEF,31677,16623,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",VWQWXZAWFPZJDA-CGVGKPPMSA-N
DB14546,14808-79-8,Sulfate ion,"['experimental', 'investigational']",,,,1426598,,SO4,,,,26992,,16189,1117,[O-]S([O-])(=O)=O,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",QAOWNCQODCNURD-UHFFFAOYSA-L
DB14547,16887-00-6,Chloride ion,experimental,,,,153974,,CL,,,,26979,,17996,312,[Cl-],InChI=1S/ClH/h1H/p-1,VEXZGXHMUGYJMC-UHFFFAOYSA-M
DB14548,,"Zinc sulfate, unspecified form","['experimental', 'approved']",478053,C05AX04,,,,,,,,,,,,,,
DB14549,,Gallium cation Ga-67,experimental,,,,1546371,,,,,,,,,11240419,[67Ga+3],InChI=1S/Ga/q+3/i1-3,CKHJYUSOUQDYEN-OIOBTWANSA-N
DB14550,,Gallium chloride Ga-67,approved,,,,314639,,,,,,,,,73415785,[Cl-].[Cl-].[Cl-].[67Ga+3],InChI=1S/3ClH.Ga/h3*1H;/q;;;+3/p-3/i;;;1-3,UPWPDUACHOATKO-MPZFSRPWSA-K
DB14551,14596-37-3,Phosphorus P-32,experimental,,,,258478,,,,,,,,,26751,[H][32P]([H])[H],InChI=1S/H3P/h1H3/i1+1,XYFCBTPGUUZFHI-OUBTZVSYSA-N
DB14552,15158-11-9,Cupric cation,experimental,,,,1427198,,CU,,,,,,29036,27099,[Cu++],InChI=1S/Cu/q+2,JPVYNHNXODAKFH-UHFFFAOYSA-N
DB14553,12258-53-6,Borate ion,experimental,,,,1424875,,,,,,62319,,,132987453,[O-]B1OB2OB([O-])OB(O1)O2,InChI=1S/B4O7/c5-1-7-3-9-2(6)10-4(8-1)11-3/q-2,GDTSJMKGXGJFGQ-UHFFFAOYSA-N
DB14554,177943-88-3,Dotatate,"['experimental', 'approved']",,,,1797118,,,,,CHEMBL441920,50165166,,,11170867,C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,"InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1",QVFLVLMYXXNJDT-CSBVGUNJSA-N
DB14555,37384-13-7,Ursadiol,experimental,,,,2045735,,,,ZINC000033816140,,,,,5273648,[H][C@@]12CC[C@]3(C)[C@]([H])(CCC4=C5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C,"InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h21-24,31-32H,9-18H2,1-8H3/t21-,22+,23-,24-,27-,28-,29+,30+/m0/s1",RTLXJEJRLWILSU-GWNGJUQLSA-N
DB14556,79-21-0,Peracetic acid,experimental,,,,2045732,,F50,,ZINC000038141555,CHEMBL444965,50266095,,42530,6585,CC(=O)OO,"InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3",KFSLWBXXFJQRDL-UHFFFAOYSA-N
DB14557,70445-33-9,Ethylhexylglycerin,experimental,,,,1367134,,,,,,,,,9859093,CCCCC(CC)COCC(O)CO,"InChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3",NCZPCONIKBICGS-UHFFFAOYSA-N
DB14558,,Influenza A virus A/Singapore/INFIMH-16-0019/2016 NIB-104 (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14559,,Influenza B virus B/Maryland/15/2016 BX-69A antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14560,,"Influenza A virus A/Singapore/INFIMH-16-0019/2016 IVR-186 (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14561,,"Influenza B virus B/Maryland/15/2016 BX-69A antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14562,1262449-58-0,Andexanet alfa,"['approved', 'investigational']","['29926311', '28979172', '25673997', '26559317', '23455714', '27573206']",V03AB38,,2045114,,,,,,,,,,,,
DB14563,,Magnolia kobus bark,experimental,,,,1312377,,,,,,,,,,,,
DB14564,,Kale,experimental,,,,1592296,,,,,,,,,,,,
DB14565,,Sophora flavescens root,experimental,,,,1307593,,,,,,,,,,,,
DB14566,8000-28-0,Lavender oil,"['experimental', 'approved']",,N05BX05,,2168411,,,,,,,,,,,,
DB14567,52357-70-7,Brown iron oxide,"['experimental', 'approved']",,,,1306946,,,,,,,,,,,,
DB14568,1448347-49-6,Ivosidenib,"['approved', 'investigational']","['29670690', '28375741', '27621679', '26700815', '21130701']",L01XX62,,2049873,,,5292,ZINC000205136523,CHEMBL3989958,363689,IVOSIDENIB,145430,71657455,[H][C@@](N(C(=O)[C@]1([H])CCC(=O)N1C1=NC=CC(=C1)C#N)C1=CC(F)=CN=C1)(C(=O)NC1CC(F)(F)C1)C1=C(Cl)C=CC=C1,"InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1",WIJZXSAJMHAVGX-DHLKQENFSA-N
DB14569,856866-72-3,Tedizolid,"['approved', 'investigational']","['16723564', '32059790', '29063519', '31426596', '18757750', '27117863', '22584101', '9333037', '22330925', '22208312', '23926058', '17499045', '24989138']",J01XX11,D09685,1540825,,U7V,,ZINC000043100956,CHEMBL1257051,50491954,TEDIZOLID,82717,11234049,CN1N=NC(=N1)C1=NC=C(C=C1)C1=C(F)C=C(C=C1)N1C[C@H](CO)OC1=O,"InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1",XFALPSLJIHVRKE-GFCCVEGCSA-N
DB14570,68-96-2,Hydroxyprogesterone,experimental,,"['G03FA02', 'G03DA03']",,5542,,3QZ,,ZINC000005434436,CHEMBL1062,50423511,HYDROXYPROGESTERONE,17252,6238,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",DBPWSSGDRRHUNT-CEGNMAFCSA-N
DB14571,,Radium Ra-223 cation,experimental,,,,1745075,,,,,,,,,,[223Ra++],InChI=1S/Ra/q+2/i1-3,PZDJSXWIQXZUBJ-OIOBTWANSA-N
DB14572,23713-46-4,Bismuth cation,experimental,,,,1546284,,,,,,,,85545,105143,[Bi+3],InChI=1S/Bi/q+3,JDIBGQFKXXXXPN-UHFFFAOYSA-N
DB14573,18274-25-4,Phosphate ion P-32,experimental,,,,,,,,,,,,,167704,[O-][32P]([O-])([O-])=O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3/i5+1",NBIIXXVUZAFLBC-HOSYLAQJSA-K
DB14574,7440-48-4,Cobalt,"['experimental', 'approved']",,,,1310300,,3CO,,,,,,27638,104730,[Co],InChI=1S/Co,GUTLYIVDDKVIGB-UHFFFAOYSA-N
DB14575,104746-04-5,Eslicarbazepine,approved,,N03AF04,,1482502,,,,ZINC000000896938,CHEMBL315985,,ESLICARBAZEPINE,174358,9881504,NC(=O)N1C2=C(C[C@H](O)C3=C1C=CC=C3)C=CC=C2,"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1",BMPDWHIDQYTSHX-AWEZNQCLSA-N
DB14576,,Thallous cation Tl-201,experimental,,,,1546370,,,,,,,,,10130399,[201Tl+],InChI=1S/Tl/q+1/i1-3,ZLUSCZLCHQSJRU-OIOBTWANSA-N
DB14577,14127-61-8,Calcium cation,experimental,,,,1316581,PA164712582,DY,,,,,,29108,271,[Ca++],InChI=1S/Ca/q+2,BHPQYMZQTOCNFJ-UHFFFAOYSA-N
DB14578,22541-19-1,Gadolinium cation (3+),experimental,,,,1546429,,GD3,,,,,,49618,168050,[Gd+3],InChI=1S/Gd/q+3,RJOJUSXNYCILHH-UHFFFAOYSA-N
DB14579,16096-89-2,Lanthanum III cation,experimental,,,,1546443,,LA,,,,,,49701,104897,[La+3],InChI=1S/La/q+3,CZMAIROVPAYCMU-UHFFFAOYSA-N
DB14580,1260393-98-3,Lecanemab,investigational,,,,,,,,,,,,,,,,
DB14581,1621862-70-1,CPI-1205,investigational,,,,,,,,ZINC000220982768,CHEMBL4297463,50541920,CPI-1205,,78320408,COC1=C(CNC(=O)C2=C(C)N([C@H](C)C3CCN(CC(F)(F)F)CC3)C3=CC=CC=C23)C(=O)NC(C)=C1,"InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1",HPODOLXTMDHLLC-QGZVFWFLSA-N
DB14582,1420706-45-1,Patisiran,"['approved', 'investigational']","['27033334', '28824341', '29972753']",N07XX12,,2053490,,,,,,,,,,,,
DB14583,7759-35-5,Segesterone acetate,"['experimental', 'approved', 'investigational']","['20064539', '29097225', '27824503', '11108869', '19434887', '29409834', '10561657']",,,2055977,,,3175,ZINC000005167230,CHEMBL3707377,,NESTORONE,135563,108059,[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C23H30O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h12,18-21H,1,5-11H2,2-4H3/t18-,19+,20+,21-,22-,23-/m0/s1",CKFBRGLGTWAVLG-GOMYTPFNSA-N
DB14584,7690-08-6,Segesterone,experimental,,,,2055978,,,,,CHEMBL2107778,,SEGESTERONE,,11823650,[H][C@@]12CC(=C)[C@](O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C21H28O3/c1-12-10-19-18-6-4-14-11-15(23)5-7-16(14)17(18)8-9-20(19,3)21(12,24)13(2)22/h11,16-19,24H,1,4-10H2,2-3H3/t16-,17+,18+,19-,20-,21-/m0/s1",SFLXYFZGKSGFKA-XUDSTZEESA-N
DB14585,,Plantago ovata seed,"['experimental', 'approved', 'investigational']",,A06AC51,,104129,,,,,,,,,,,,
DB14586,12002-36-7,Citrus bioflavonoids,"['experimental', 'approved']",,,,314661,,,,,,,,,,,,
DB14587,,Influenza A virus A/Singapore/INFIMH-16-0019/2016 IVR-186 (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14588,,Bambusa arundinacea stem,experimental,,,,1306169,,,,,,,,,,,,
DB14589,1117-86-8,Caprylyl glycol,experimental,,,,1363571,,,,,CHEMBL3186864,,,34056,14231,CCCCCCC(O)CO,"InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3",AEIJTFQOBWATKX-UHFFFAOYSA-N
DB14590,,Anemarrhena asphodeloides root,experimental,,,,1735152,,,,,,,,,,,,
DB14591,,Influenza B virus B/Maryland/15/2016 antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14592,,Influenza A virus A/Singapore/INFIMH-16-0019/2016 IVR-186 (H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14593,,Influenza B virus B/Maryland/15/2016 antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14594,,Influenza A virus A/Singapore/INFIMH-16-0019/2016 (H3N2) recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB14595,,Influenza B virus B/Maryland/15/2016 recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB00873,129260-79-3,Loteprednol,"['experimental', 'approved']",,S01BA14,,237027,,,,ZINC000030691679,,,,50848,9865442,[H][C@@]12CC[C@](O)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1",YPZVAYHNBBHPTO-MXRBDKCISA-N
DB14597,1426055-14-2,Lanadelumab,"['approved', 'investigational']","['27960628', '29300693', '28225674', '24980392']",B06AC05,,2055640,,,,,,,,,,,,
DB14598,62-33-9,Edetate calcium disodium anhydrous,approved,"['29889577', '19852620', '4961749', '3096624', '3121845', '12396676']",,,,,,,,CHEMBL1200375,,CALCIUM DISODIUM VERSENATE,4757,3348573,[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O,"InChI=1S/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",SHWNNYZBHZIQQV-UHFFFAOYSA-J
DB14599,14025-15-1,Edetate copper disodium,experimental,,,,,,,,,,,,,51964,[Na+].[Na+].[Cu++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O,"InChI=1S/C10H16N2O8.Cu.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",KCFCAUKZKOSSBI-UHFFFAOYSA-J
DB14600,139-33-3,Edetate disodium anhydrous,"['vet_approved', 'approved']",12396676,,D03945,,,,,,CHEMBL1749,,EDETATE DISODIUM,64734,8759,[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O,"InChI=1S/C10H16N2O8.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2",ZGTMUACCHSMWAC-UHFFFAOYSA-L
DB14601,,Barley malt syrup,approved,,,,1306883,,,,,,,,,,,,
DB14602,,"Influenza A virus A/Victoria/361/2011 IVR-165 (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14603,,"Influenza B virus B/Hubei-Wujiagang/158/2009 BX-39 antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14604,,"Influenza A virus A/Texas/50/2012 X-223A (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14605,,"Influenza B virus B/Massachusetts/2/2012 BX-51B antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14606,,Influenza A virus A/Texas/50/2012 (H3N2) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB14607,,Influenza B virus B/Massachusetts/2/2012 live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB14608,,"Influenza A virus A/Victoria/361/2011 IVR-165 (H3N2) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14609,,"Influenza B virus B/Wisconsin/1/2010) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB14610,,Influenza B virus B/Hubei-Wujiagang/158/2009 BX-39 antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14611,,"Influenza A virus A/Victoria/210/2009 X-187 (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14612,,"Influenza A virus A/California/7/2009 X-181 (H1N1) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14613,,"Serum, horse",approved,,,,,,,,,,,,,,,,
DB14614,,"Influenza A virus A/Victoria/210/2009 X-187 (H3N2) hemagglutinin antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14615,,Influenza A virus A/Uruguay/716/2007(H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14616,,Influenza A virus A/Brisbane/59/2007 (H1N1) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB14617,,Influenza A virus A/Uruguay/716/2007(H3N2) hemagglutinin antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB14618,,Influenza A virus A/Brisbane/59/2007 (H1N1) hemagglutinin antigen (formaldehyde inactivated),"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB14619,,Influenza A virus A/Uruguay/716/2007(H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14620,,Influenza A virus A/Brisbane/59/2007(H1N1) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB14622,10101-89-0,Sodium phosphate tribasic dodecahydrate,experimental,,,,1311345,,,,,,,,,516998,O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]P([O-])([O-])=O,"InChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*1H2/q3*+1;;;;;;;;;;;;;/p-3",ASTWEMOBIXQPPV-UHFFFAOYSA-K
DB14623,75-36-5,Acetyl chloride,experimental,,,,,,,,ZINC000006661287,,,,37580,6367,CC(Cl)=O,InChI=1S/C2H3ClO/c1-2(3)4/h1H3,WETWJCDKMRHUPV-UHFFFAOYSA-N
DB14624,98804-55-8,Nandrolone hydrogen sulfate,"['experimental', 'investigational']",,,,,,,,ZINC000038604628,,,,,3085201,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OS(O)(=O)=O,"InChI=1S/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/t13-,14+,15+,16-,17-,18-/m0/s1",SKZMVWBZTQNCKW-IZPLOLCNSA-N
DB14625,1106-03-2,Meprednisone acetate,experimental,,,,,,,,ZINC000006066697,,,,,101970,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O,"InChI=1S/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-22(15,3)21(17)19(27)11-23(18,4)24(13,29)20(28)12-30-14(2)25/h7-8,10,13,17-18,21,29H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,21+,22-,23-,24-/m0/s1",RZAMUHXEOMZXET-ABQXZQTJSA-N
DB14626,1778-02-5,Pregnenolone acetate,investigational,,,,,,,,ZINC000003860692,CHEMBL1892286,,,34930,2723722,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(C)=O,"InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1",CRRKVZVYZQXICQ-RJJCNJEVSA-N
DB14627,115-33-3,Oxyphenisatin acetate,"['withdrawn', 'approved', 'investigational']",,,,,,,2037,ZINC000003831258,CHEMBL1402684,,,135638,8269,CC(=O)OC1=CC=C(C=C1)C1(C(=O)NC2=CC=CC=C12)C1=CC=C(OC(C)=O)C=C1,"InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)",PHPUXYRXPHEJDF-UHFFFAOYSA-N
DB14628,567-19-1,Pseudosaccharin chloride,experimental,,,,,,,,ZINC000001681597,,,,,64783,ClC1=NS(=O)(=O)C2=CC=CC=C12,"InChI=1S/C7H4ClNO2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4H",VBEJRJPHNPIURV-UHFFFAOYSA-N
DB14629,406-95-1,Trifluoroethyl acetate,experimental,,,,,,,,ZINC000002557127,,,,,136256,CC(=O)OCC(F)(F)F,"InChI=1S/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3",ZOWSJJBOQDKOHI-UHFFFAOYSA-N
DB14630,30223-92-8,Tyramine O-sulfate,experimental,,,,,,,,,CHEMBL4764181,,,133531,122164836,NCCC1=CC=C(OS(O)(=O)=O)C=C1,"InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)",DYDUXGMDSXJQFT-UHFFFAOYSA-N
DB14631,302-25-0,Prednisolone phosphate,"['vet_approved', 'approved']","['23300763', '378499', '30285357', '15634032', '1874907']",,,,,,,ZINC000004097473,CHEMBL1201231,,PEDIAPRED,145705,72078,[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JDOZJEUDSLGTLU-VWUMJDOOSA-N
DB14632,7681-14-3,Prednisolone tebutate,"['vet_approved', 'approved']",,,D00982,,,,2251,ZINC000004097474,CHEMBL1200909,,,8381,93055,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CC(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1",HUMXXHTVHHLNRO-KAJVQRHHSA-N
DB14633,2920-86-7,Prednisolone hemisuccinate,experimental,,,,,,,2246,ZINC000003881478,CHEMBL485659,,PREDNISOLONE HEMISUCCINATE,135745,656804,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1",APGDTXUMTIZLCJ-CGVGKPPMSA-N
DB14634,1255-35-2,Fluprednidene acetate,experimental,,,,,,,3238,ZINC000030691649,,,,135700,9980241,[H][C@@]12CC(=C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C24H29FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,17-19,28,30H,1,5-6,9,11-12H2,2-4H3/t17-,18-,19-,21-,22-,23-,24-/m0/s1",DEFOZIFYUBUHHU-IYQKUMFPSA-N
DB14635,339286-19-0,Curcumin sulfate,experimental,23143785,,,,,,,ZINC000011524418,,,,189746,66645351,COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O,"InChI=1S/C21H20O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h3-12,24H,13H2,1-2H3,(H,25,26,27)/b7-3+,8-4+",NEJVQQBBTRFOHB-FCXRPNKRSA-N
DB14636,61966-08-3,Triciribine phosphate,investigational,,,,,,TR5,,ZINC000003916663,CHEMBL462018,50422306,TRICIRIBINE PHOSPHATE,,43860,CN1N=C(N)C2=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C3=C2C1=NC=N3,"InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1",URLYINUFLXOMHP-HTVVRFAVSA-N
DB14637,570-36-5,Fluprednisolone acetate,experimental,613316,,,,,,,ZINC000005161248,,,,,101772,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,"InChI=1S/C23H29FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h4,6,8,14-15,17-18,20,27,29H,5,7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1",CYMBAKFTWRNHPS-APRQOCPKSA-N
DB14638,3736-81-0,Diloxanide furoate,approved,1520794,,D02480,,,,896,ZINC000000001300,CHEMBL1334860,70295,,4601,19529,CN(C(=O)C(Cl)Cl)C1=CC=C(OC(=O)C2=CC=CO2)C=C1,"InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3",BDYYDXJSHYEDGB-UHFFFAOYSA-N
DB14639,13103-34-9,Boldenone undecylenate,"['illicit', 'vet_approved']",,,,,,,,ZINC000004215044,CHEMBL2106059,,BOLDENONE 10-UNDECENOATE,,11954310,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,"InChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1",AHMMSNQYOPMLSX-CNQKSJKFSA-N
DB14640,338-98-7,Isoflupredone acetate,vet_approved,"['12703615', '6520764', '8633806', '1666317', '9836402', '22126689', '12880012', '17699036', '8048222', '16817750']",,D04627,,,,4962,ZINC000004213604,CHEMBL1608183,,,34517,224246,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1",ZOCUOMKMBMEYQV-GSLJADNHSA-N
DB14641,2236-31-9,Estriol tripropionate,experimental,14634144,,,,,,,ZINC000030690586,CHEMBL3559901,,,188607,102232,[H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC,"InChI=1S/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3/t19-,20-,21+,22-,26+,27+/m1/s1",ONMZMZJEZHMWQL-REUUDLSRSA-N
DB14642,50-57-7,Lypressin,approved,,H01BA03,,,,,2959,,CHEMBL1200690,,,94802,644076,[H]N([H])C(=O)C[C@]1([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC([H])(CCCCN)C(=O)NCC(N)=O,"InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1",BJFIDCADFRDPIO-DZCXQCEKSA-N
DB14643,86401-95-8,Methylprednisolone aceponate,"['vet_approved', 'approved']",,D07AC14,,,,,1769,ZINC000004213828,CHEMBL1697782,,METHYLPREDNISOLONE ACEPONATE,135762,63019,[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,"InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1",DALKLAYLIPSCQL-YPYQNWSCSA-N
DB14644,2921-57-5,Methylprednisolone hemisuccinate,approved,,,,,,,1771,ZINC000003977781,CHEMBL1201265,,SOLU-MEDROL,135765,16923,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,"InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1",IMBXEJJVJRTNOW-XYMSELFBSA-N
DB14645,10025-85-1,Nitrogen trichloride,experimental,,,,,,,,ZINC000261499688,,,,37382,61437,ClN(Cl)Cl,InChI=1S/Cl3N/c1-4(2)3,QEHKBHWEUPXBCW-UHFFFAOYSA-N
DB14646,125-10-0,Prednisone acetate,"['experimental', 'approved', 'investigational']",,,D08416,,,,,ZINC000003881638,CHEMBL1507567,,,34655,91438,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",MOVRKLZUVNCBIP-RFZYENFJSA-N
DB14647,10025-67-9,Sulfur chloride,experimental,,,,,,,,ZINC000254756492,,,,,24807,ClSSCl,InChI=1S/Cl2S2/c1-3-4-2,PXJJSXABGXMUSU-UHFFFAOYSA-N
DB14648,145576-25-6,Acetyl simvastatin,experimental,,,,,,,,ZINC000036454924,,,,,11812557,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)OC(C)=O)[C@@H]12,"InChI=1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,13-15H2,1-6H3/t16-,17-,20+,21+,22-,23-,25-/m0/s1",OHVWRJDVJRNCPE-BIKFJBPRSA-N
DB14649,1177-87-3,Dexamethasone acetate,"['vet_approved', 'approved', 'investigational']",13560344,,D07796,,,,826,ZINC000003882068,CHEMBL1530428,50103620,DECADRON-LA,4463,236702,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1",AKUJBENLRBOFTD-RPRRAYFGSA-N
DB14650,84-98-0,Menadiol diphosphate,"['approved', 'nutraceutical']",,,,,,,,ZINC000001542933,CHEMBL1201348,,,134713,8556,CC1=C(OP(O)(O)=O)C2=CC=CC=C2C(OP(O)(O)=O)=C1,"InChI=1S/C11H12O8P2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17)",JTNHOVZOOVVGHI-UHFFFAOYSA-N
DB14651,17528-28-8,Perphenazine enanthate,experimental,,,,,,,,ZINC000030691684,,,,,62871,CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,"InChI=1S/C28H38ClN3O2S/c1-2-3-4-5-11-28(33)34-21-20-31-18-16-30(17-19-31)14-8-15-32-24-9-6-7-10-26(24)35-27-13-12-23(29)22-25(27)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3",PWEGQJCIAMJJHC-UHFFFAOYSA-N
DB14652,4258-85-9,Clocortolone acetate,experimental,,,,,,,,,CHEMBL2106011,,CLOCORTOLONE ACETATE,177410,11954353,[H][C@@]12C[C@@H](C)[C@H](C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C24H30ClFO5/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-23(17,4)24(16,25)20(30)10-22(15,3)21(12)19(29)11-31-13(2)27/h5-6,8,12,15-16,18,20-21,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,20+,21-,22+,23+,24+/m1/s1",ARPLCFGLEYFDCN-CDACMRRYSA-N
DB14653,4891-71-8,Clocortolone caproate,experimental,,,,,,,,ZINC000118937942,,,,,107603,CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,"InChI=1S/C28H38ClFO5/c1-5-6-7-8-24(34)35-15-22(32)25-16(2)11-18-19-13-21(30)20-12-17(31)9-10-27(20,4)28(19,29)23(33)14-26(18,25)3/h9-10,12,16,18-19,21,23,25,33H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,23+,25-,26+,27+,28+/m1/s1",MMTRTBFDFNRBQO-ANHDKODLSA-N
DB14654,14008-48-1,Bisoxatin acetate,experimental,,,D01191,,,,382,ZINC000000608211,CHEMBL2106004,,,31294,26391,CC(=O)OC1=CC=C(C=C1)C1(OC2=C(NC1=O)C=CC=C2)C1=CC=C(OC(C)=O)C=C1,"InChI=1S/C24H19NO6/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)23(28)25-21-5-3-4-6-22(21)31-24/h3-14H,1-2H3,(H,25,28)",ZCBJDQBSLZREAA-UHFFFAOYSA-N
DB14655,521-12-0,Drostanolone propionate,"['illicit', 'approved']",,,D01534,,PA164760855,,965,ZINC000004213057,CHEMBL1201048,,,31523,224004,[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C,"InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1",NOTIQUSPUUHHEH-UXOVVSIBSA-N
DB14656,886-74-8,Chlorphenesin carbamate,"['withdrawn', 'vet_approved', 'approved']",,,D00770,,,,614,,CHEMBL607710,,MAOLATE,3643,2724,NC(=O)OCC(O)COC1=CC=C(Cl)C=C1,"InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)",SKPLBLUECSEIFO-UHFFFAOYSA-N
DB14657,1597-82-6,Paramethasone acetate,approved,,,D01229,,,,2060,ZINC000004214095,CHEMBL1200342,,,31963,443928,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21-,22+,23+,24+/m1/s1",HYRKAAMZBDSJFJ-LFDBJOOHSA-N
DB14658,530-43-8,Chloramphenicol palmitate,"['vet_approved', 'approved']",,,D01072,,,,5150,ZINC000008214521,CHEMBL1506,,,3605,443382,CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,"InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1",PXKHGMGELZGJQE-ILBGXUMGSA-N
DB14659,2919-66-6,Melengestrol acetate,experimental,,,D04900,,,,,ZINC000004216828,CHEMBL1328968,,,34831,250948,[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,"InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1",UDKABVSQKJNZBH-DWNQPYOZSA-N
DB14660,10161-34-9,Trenbolone acetate,vet_approved,,,,,,,,ZINC000004083873,CHEMBL1698011,50190646,,192671,66359,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CCC4=C3C=C[C@]12C)OC(C)=O,"InChI=1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19+,20+/m1/s1",CMRJPMODSSEAPL-FYQPLNBISA-N
DB14661,106900-12-3,Loperamide oxide,experimental,,A07DA05,,,,,1600,ZINC000000537930,,,,,71421,CN(C)C(=O)C(CC[N+]1([O-])CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C29H33ClN2O3/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3",KXVSBTJVTUVNPM-UHFFFAOYSA-N
DB14662,4533-89-5,Flunisolide acetate,experimental,,,,,,,,ZINC000012874961,,,,,23724908,[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C26H33FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h6-8,15-16,18-19,21-22,30H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,22+,24-,25-,26+/m0/s1",WEGNFRKBIKYVLC-XTLNBZDDSA-N
DB14663,40925-28-8,Ribavirin monophosphate,experimental,,,,,,RVP,,ZINC000012402859,CHEMBL1235764,,,45490,100252,NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,"InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1",SDWIOXKHTFOULX-AFCXAGJDSA-N
DB14664,15845-96-2,Difluocortolone pivalate,experimental,,,,,,,,,CHEMBL2106277,,,,66381,[H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1",UWGRWFCLGQWKPR-GSTUPEFVSA-N
DB14665,76-49-3,Bornyl acetate,experimental,,,,,,,,ZINC000000388663,CHEMBL3186761,,,,93009,CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C,"InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1",KGEKLUUHTZCSIP-HOSYDEDBSA-N
DB14666,112-77-6,Oleoyl chloride,experimental,,,,,,,,ZINC000100006588,,,,,5364783,CCCCCCCC\C=C/CCCCCCCC(Cl)=O,"InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-",MLQBTMWHIOYKKC-KTKRTIGZSA-N
DB14667,937-34-8,Phenyl hydrogen sulfate,experimental,,,,,,,,ZINC000001529373,,,,27905,74426,OS(=O)(=O)OC1=CC=CC=C1,"InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)",CTYRPMDGLDAWRQ-UHFFFAOYSA-N
DB14668,24705-61-1,Dienestrol diacetate,experimental,,,,,,,,ZINC000000608322,CHEMBL3188355,,,,5805243,C\C=C(\C(=C\C)\C1=CC=C(OC(C)=O)C=C1)/C1=CC=C(OC(C)=O)C=C1,"InChI=1S/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3/b21-5+,22-6+",YWLLGDVBTLPARJ-OXAZHYLESA-N
DB14669,360-63-4,Betamethasone phosphate,"['vet_approved', 'approved']","['23300763', '22154197', '30285357', '15634032']",,,,,,,ZINC000004097469,CHEMBL1201207,,BETAMETHASONE SODIUM PHOSPHATE,68603,107782,[H][C@@]12C[C@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",VQODGRNSFPNSQE-DVTGEIKXSA-N
DB14670,112-16-3,Lauroyl chloride,experimental,,,,,,,,ZINC000002041056,CHEMBL3561663,,,,8166,CCCCCCCCCCCC(Cl)=O,"InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3",NQGIJDNPUZEBRU-UHFFFAOYSA-N
DB14671,18818-64-9,Temazepam acetate,experimental,,,,,,,,,,,,,86793,CN1C2=CC=C(Cl)C=C2C(=NC(OC(C)=O)C1=O)C1=CC=CC=C1,"InChI=1S/C18H15ClN2O3/c1-11(22)24-17-18(23)21(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17H,1-2H3",PTWWAHZQIATUFG-UHFFFAOYSA-N
DB14672,1824-74-4,Oxazepam acetate,experimental,,,,,,,,,CHEMBL146245,,,,102697,CC(=O)OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O,"InChI=1S/C17H13ClN2O3/c1-10(21)23-17-16(22)19-14-8-7-12(18)9-13(14)15(20-17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,19,22)",FYRWUTOZBRWYCS-UHFFFAOYSA-N
DB14673,2802-11-1,Flurandrenolide acetate,experimental,,,,,,,,,,,,,102333,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]21C,"InChI=1S/C26H35FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h8,15-16,18-19,21-22,30H,6-7,9-12H2,1-5H3/t15-,16-,18-,19-,21+,22+,24-,25-,26+/m0/s1",AUDPKCCPWYXNEV-XTLNBZDDSA-N
DB14674,4891-15-0,Estramustine phosphate,"['approved', 'investigational']",,,,,,,1066,ZINC000003938713,CHEMBL1756,50333645,ESTRAMUSTINE SODIUM PHOSPHATE,68643,259329,[H][C@@]12CC[C@H](OP(O)(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC(=O)N(CCCl)CCCl)C=C3,"InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1",ADFOJJHRTBFFOF-RBRWEJTLSA-N
DB14675,701213-36-7,Temsavir,investigational,,,,,,83J,,ZINC000034815611,CHEMBL3301620,50236759,BMS-626529,,11317439,COC1=CN=C(N2C=NC(C)=N2)C2=C1C(=CN2)C(=O)C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1,"InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3",QRPZBKAMSFHVRW-UHFFFAOYSA-N
DB14676,1044535-52-5,Fagrocorat,experimental,,,,,,,,ZINC000103297733,CHEMBL3137304,140009,,,24873449,[H][C@]12CCC3=C(C=CC(=C3)C(=O)NC3=C(C)N=CC=C3)[C@]1(CC1=CC=CC=C1)CC[C@@](O)(C2)C(F)(F)F,"InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1",QJJBNCHSWFGXML-KEKPKEOLSA-N
DB14677,1253-28-7,Gestonorone caproate,approved,,,,4791,,,3261,ZINC000004216396,CHEMBL2107389,,,31650,443881,[H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3/t20-,21+,22+,23-,25-,26-/m0/s1",XURCMZMFZXXQDJ-UKNJCJGYSA-N
DB14678,3836-23-5,Norethindrone enanthate,experimental,,,,31984,,,1964,ZINC000004217172,CHEMBL3187229,,,34894,229295,[H][C@@]12CC[C@@](OC(=O)CCCCCC)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1",APTGJECXMIKIET-WOSSHHRXSA-N
DB14679,3000-39-3,Quingestanol acetate,experimental,,,,,,,2345,,CHEMBL2105291,,,135661,18142,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(OC4CCCC4)=CC3=CC[C@@]21[H],"InChI=1S/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3/t22-,23+,24+,25-,26-,27-/m0/s1",FLGJKPPXEKYCBY-AKCFYGDASA-N
DB14680,117048-59-6,Combretastatin A4,experimental,,,,,,7BA,,ZINC000013452167,CHEMBL67,50005480,,181391,5351344,COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1O,"InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-",HVXBOLULGPECHP-WAYWQWQTSA-N
DB14681,53-06-5,Cortisone,experimental,,"['S01BA03', 'H02AB10']",D07749,2878,,,,ZINC000004083557,CHEMBL1499,13739,CORTISONE,16962,222786,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",MFYSYFVPBJMHGN-ZPOLXVRWSA-N
DB14682,125-73-5,Dextrorphan,experimental,,,,,,,,ZINC000001280092,CHEMBL1254766,50001000,DEXTRORPHAN,29133,5360697,[H][C@]12CC3=C(C=C(O)C=C3)[C@@]3(CCCC[C@]13[H])CCN2C,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1",JAQUASYNZVUNQP-PVAVHDDUSA-N
DB14683,89030-95-5,Prezatide copper,experimental,"['22666519', '8227353', '19071668', '3169264', '7498545', '26236730', '17689198', '9187381', '1522753', '11045606']",,,,,,,,,,,,71587328,[Cu++].NCCCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)CN)C([O-])=O,"InChI=1S/C14H24N6O4.Cu/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);/q;+2/p-1/t10-,11-;/m0./s1",NZWIFMYRRCMYMN-ACMTZBLWSA-M
DB14684,126040-58-2,Calcium polycarbophil,approved,6765389,A06AC08,,,,,,,,,,,,,,
DB14685,,Adenovirus type 7 vaccine live,approved,,,,1099937,,,,,,,,,,,,
DB14686,,Chamaecyparis obtusa leaf,experimental,,,,1305745,,,,,,,,,,,,
DB14687,,Centella asiatica leaf,experimental,,,,1307961,,,,,,,,,,,,
DB14688,,Sambucus nigra flower,experimental,,,,317808,,,,,,,,,,,,
DB14689,8000-25-7,Rosemary oil,"['experimental', 'approved']",,,,90945,,,,,,,,,,,,
DB14690,8007-08-7,Ginger oil,"['experimental', 'approved']",,,,1309388,,,,,,,,,,,,
DB14691,,Willow bark,"['experimental', 'approved']",,,,260012,,,,,,,,,,,,
DB14692,,Turmeric oil,"['experimental', 'approved']",,,,1373037,,,,,,,,,,,,
DB14693,,Atractylodes lancea root,"['experimental', 'approved']",,,,,,,,,,,,,,,,
DB14694,,Beef liver,approved,,,,1330085,,,,,,,,,,,,
DB14695,20344-49-4,Ferric oxyhydroxide,experimental,,,,,,,,,,,,,9793696,[OH-].[O--].[Fe+3],InChI=1S/Fe.H2O.O/h;1H2;/q+3;;-2/p-1,IEECXTSVVFWGSE-UHFFFAOYSA-M
DB14696,,Influenza A virus A/Singapore/INFIMH-16-0019/2016 (H3N2) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB14697,,Influenza B virus B/Colorado/06/2017 live (attenuated) antigen,approved,,,,2054177,,,,,,,,,,,,
DB14698,,"Influenza A virus A/Brisbane/59/2007(H1N1) hemagglutinin antigen (UV,formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14699,,"Influenza A virus A/Uruguay/716/2007(H3N2) hemagglutinin antigen (UV,formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB14700,1363853-26-2,Damoctocog alfa pegol,"['approved', 'investigational']","['24843882', '20194895', '23537723', '29765290', '27563744', '27434619', '29899890']",,,2055655,,,,,,,,,,,,
DB14701,686723-15-9,Ethyl 8-hydroxy-alpha-(2-propynylamino)-5-quinolinepropanoate,experimental,,,,,,,,,,,,,10424768,CCOC(=O)C(CC1=C2C=CC=NC2=C(O)C=C1)NCC#C,"InChI=1S/C17H18N2O3/c1-3-9-18-14(17(21)22-4-2)11-12-7-8-15(20)16-13(12)6-5-10-19-16/h1,5-8,10,14,18,20H,4,9,11H2,2H3",IQZXIKMXXCLFOK-UHFFFAOYSA-N
DB14702,13718-26-8,Sodium metavanadate,"['experimental', 'approved']",,,,,,,,,,,,75221,4148882,[Na+].[O-][V](=O)=O,InChI=1S/Na.3O.V/q+1;;;-1;,CMZUMMUJMWNLFH-UHFFFAOYSA-N
DB14703,16978-57-7,Dexamethasone metasulfobenzoate,"['experimental', 'approved']",,,,,,,,ZINC000004212887,CHEMBL3305965,,,,63046,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C3=CC=CC(=C3)S(O)(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1",TWQWRHIQRAZHPR-XNXCGYEVSA-N
DB14704,488-81-3,Ribitol,experimental,,,,,,RB0,,ZINC000100014205,CHEMBL3137744,,,15963,,OC[C@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-",HEBKCHPVOIAQTA-ZXFHETKHSA-N
DB14705,212070-45-6,Ceramide AP,experimental,,,,1314307,,,,,,,,67041,44625889,CCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC,"InChI=1S/C36H73NO5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(40)36(42)37-32(31-38)35(41)33(39)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-35,38-41H,3-31H2,1-2H3,(H,37,42)/t32-,33+,34?,35-/m0/s1",BBAFBDLICMHBNU-MFZOPHKMSA-N
DB14706,2304-80-5,Ceramide NG,experimental,,,,1426448,,,,ZINC000040165427,,,,67033,5283573,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,"InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1",KZTJQXAANJHSCE-OIDHKYIRSA-N
DB14707,1801342-60-8,Cemiplimab,"['approved', 'investigational']","['29921845', '29089720', '29863979']",L01XC33,,2058825,,,,,,,,,,,,
DB14708,144-86-5,Tosylchloramide,experimental,,D08AX04,,,,,,ZINC000008576333,CHEMBL1625750,,CLORINA,53782,31388,CC1=CC=C(C=C1)S(=O)(=O)NCl,"InChI=1S/C7H8ClNO2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,1H3",NXTVQNIVUKXOIL-UHFFFAOYSA-N
DB14709,,Bean,approved,,,,1370773,,,,,,,,,,,,
DB14710,,Camponotus pennsylvanicus,approved,,,,2057909,,,,,,,,,,,,
DB14711,,"Smallpox (Vaccinia) Vaccine, Live",approved,,,,1492300,,,,,,,,,,,,
DB14712,1709806-75-6,Elapegademase,approved,,L03AX21,,2059218,,,,,,,,,,,,
DB14713,1492984-65-2,Inotersen,"['approved', 'investigational']","['29185862', '29240946', '29972757']",N07XX15,,2099289,,,,,,,,,,,,
DB14714,121009-77-6,Tenivastatin,experimental,,,,,,SIM,,ZINC000003833877,CHEMBL1201391,18375,TENIVASTATIN,169041,64718,[H][C@@](O)(CC[C@@]1([H])[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]12[H])C[C@@H](O)CC(O)=O,"InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1",XWLXKKNPFMNSFA-HGQWONQESA-N
DB14715,172986-25-3,Cinazepam,experimental,,,,,,,,,CHEMBL1095299,,,,629281,OC(=O)CCC(=O)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Br)=CC=C2NC1=O,"InChI=1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)",NQTRBZXDWMDXAQ-UHFFFAOYSA-N
DB14716,33887-02-4,Clonazolam,experimental,,,,,,,,ZINC000039206261,,,,,12317881,CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(=C3)N(=O)=O)N12,"InChI=1S/C17H12ClN5O2/c1-10-20-21-16-9-19-17(12-4-2-3-5-14(12)18)13-8-11(23(24)25)6-7-15(13)22(10)16/h2-8H,9H2,1H3",XJRGLCAWBRZUFC-UHFFFAOYSA-N
DB14717,28910-99-8,Nitrazolam,experimental,,,,,,,,ZINC000059865889,,,,,20317278,CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(=C3)[N+]([O-])=O)N12,"InChI=1S/C17H13N5O2/c1-11-19-20-16-10-18-17(12-5-3-2-4-6-12)14-9-13(22(23)24)7-8-15(14)21(11)16/h2-9H,10H2,1H3",OYRPNABWTHDOFK-UHFFFAOYSA-N
DB14718,39243-02-2,Pyrazolam,experimental,,,,,,,,ZINC000039247035,CHEMBL3246831,,,,12562545,CC1=NN=C2CN=C(C3=CC=CC=N3)C3=C(C=CC(Br)=C3)N12,"InChI=1S/C16H12BrN5/c1-10-20-21-15-9-19-16(13-4-2-3-7-18-13)12-8-11(17)5-6-14(12)22(10)15/h2-8H,9H2,1H3",BGRWSFIQQPVEML-UHFFFAOYSA-N
DB14719,29462-18-8,Bentazepam,experimental,,N05BA24,D03083,,,,315,ZINC000005850754,CHEMBL1521495,70137,,135252,135412795,O=C1CN=C(C2=C(N1)SC1=C2CCCC1)C1=CC=CC=C1,"InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20)",AIZFEOPQVZBNGH-UHFFFAOYSA-N
DB14720,54340-61-3,Brovanexine,experimental,,,,19791,,,410,ZINC000004212197,CHEMBL2105477,,,135832,162137,COC1=C(OC(C)=O)C=CC(=C1)C(=O)NC1=C(CN(C)C2CCCCC2)C=C(Br)C=C1Br,"InChI=1S/C24H28Br2N2O4/c1-15(29)32-21-10-9-16(12-22(21)31-3)24(30)27-23-17(11-18(25)13-20(23)26)14-28(2)19-7-5-4-6-8-19/h9-13,19H,4-8,14H2,1-3H3,(H,27,30)",DQTRREPKGJIABH-UHFFFAOYSA-N
DB14721,,MK-1454,investigational,,,,,,,,,,,,,,,,
DB14722,1638241-89-0,ADU-S100,investigational,,,,,,,,,,,,,,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@@H]3[C@H](O)[C@@H](CO[P@](S)(=O)O[C@H]2[C@H]1O)O[C@H]3N1C=NC2=C1N=CN=C2N,"InChI=1S/C20H24N10O10P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-,41-,42-/m1/s1",IZJJFUQKKZFVLH-YBVMPXGUSA-N
DB14723,1223403-58-4,Larotrectinib,"['approved', 'investigational']","['30069765', '28751539', '26216294', '25527197', '28578312']",L01XE53,,2105628,,,5305,ZINC000118399834,CHEMBL3889654,136597,BAY-2757556,,46188928,O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1,"InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1",NYNZQNWKBKUAII-KBXCAEBGSA-N
DB14724,1709815-23-5,Emapalumab,"['approved', 'investigational']","['16478695', '29300693', '27336613', '26610523']",L04AA39,,2104603,,,,,,,,,,,,
DB14725,57268-80-1,Cefamandole nafate,approved,,,,20473,,,,ZINC000003830397,CHEMBL1201218,,CEFAMANDOLE NAFATE,53654,5284527,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](OC=O)C1=CC=CC=C1)C(O)=O,"InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1",RRJHESVQVSRQEX-SUYBPPKGSA-N
DB14726,211914-51-1,Dabigatran,"['approved', 'investigational']",,,D09707,1546356,,4CC,,ZINC000001910616,CHEMBL48361,50112086,BIBR-953-ZW,70752,216210,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1,"InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)",YBSJFWOBGCMAKL-UHFFFAOYSA-N
DB14727,752-56-7,Riboflavin tetrabutyrate,experimental,,,,2106328,,,,,CHEMBL1325863,,,32097,92140,CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12)OC(=O)CCC,"InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1",MJNIWUJSIGSWKK-BBANNHEPSA-N
DB14728,7055-03-0,Mebenil,experimental,,,,,,,,ZINC000000396264,CHEMBL1328781,,,82056,23466,CC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1,"InChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)",MZNCVTCEYXDDIS-UHFFFAOYSA-N
DB14729,93908-02-2,Rebeccamycin,experimental,,,,,,,,ZINC000028520217,CHEMBL370100,50162287,,135511,73110,CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)N1C2=C(C3=C1C(Cl)=CC=C3)C1=C(C(=O)NC1=O)C1=C2NC2=C1C=CC=C2Cl,"InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1",QEHOIJJIZXRMAN-QZQSLCQPSA-N
DB14730,941577-06-6,Calaspargase pegol,approved,"['25348002', '18580955']",,,2121417,,,,,,,,,,,,
DB14731,2055491-00-2,Tagraxofusp,"['approved', 'investigational']",23396213,L01XX67,,2109054,,,,,,,,,,,,
DB14732,72496-59-4,Queuine,"['experimental', 'nutraceutical']","['28204548', '25884661', '30322941']",,,,,QEI,,ZINC000006622451,,,,17433,135398670,NC1=NC2=C(C(CN[C@H]3C=C[C@H](O)[C@@H]3O)=CN2)C(=O)N1,"InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1",WYROLENTHWJFLR-ACLDMZEESA-N
DB14733,376653-43-9,Ceftobiprole medocaril,"['experimental', 'approved', 'investigational']",,J01DI01,,,,,4402,,,,,135968,135413544,[H][C@@]1(NC(=O)C(=N/O)\C2=NSC(N)=N2)C(=O)N2C(C(O)=O)=C(CS[C@]12[H])\C=C1/CCN(C1=O)[C@]1([H])CCN(C1)C(=O)OCC1=C(C)OC(=O)O1,"InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15-/t13-,16-,22-/m1/s1",HFTSMHTWUFCYMJ-YIOMYIDASA-N
DB14734,25654-31-3,Cannabigerol,experimental,,,,2464938,,,,ZINC000004217650,CHEMBL497318,50318487,CANNABIGEROL,69477,5315659,CCCCCC1=CC(O)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1,"InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+",QXACEHWTBCFNSA-SFQUDFHCSA-N
DB14735,20675-51-8,Cannabichromene,experimental,,,,2585216,,,,,CHEMBL422704,50318486,,3357,30219,CCCCCC1=CC2=C(C=CC(C)(CCC=C(C)C)O2)C(O)=C1,"InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3",UVOLYTDXHDXWJU-UHFFFAOYSA-N
DB14736,33745-21-0,Cannabivarin,experimental,,,,,,,,,CHEMBL4170268,50285610,,,622545,CCCC1=CC(O)=C2C(OC(C)(C)C3=C2C=C(C)C=C3)=C1,"InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3",SVTKBAIRFMXQQF-UHFFFAOYSA-N
DB14737,521-35-7,Cannabinol,"['experimental', 'investigational']",,,,1976,,,,ZINC000001530833,CHEMBL74415,50061117,CANNABINOL,3360,2543,CCCCCC1=CC2=C(C(O)=C1)C1=C(C=CC(C)=C1)C(C)(C)O2,"InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3",VBGLYOIFKLUMQG-UHFFFAOYSA-N
DB14738,1309086-46-1,Turoctocog alfa pegol,approved,"['22812621', '29261993', '17425686', '28470862', '9834200', '23398640', '24797664']",,,,,,,,,,,,,,,
DB14739,98-67-9,Phenolsulfonic acid,experimental,,,D01403,,,,,ZINC000001577054,CHEMBL1398657,,,32354,4765,OC1=CC=C(C=C1)S(O)(=O)=O,"InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)",FEPBITJSIHRMRT-UHFFFAOYSA-N
DB14740,9001-54-1,Hyaluronidase,approved,"['31424747', '16350083', '24197934', '26873038', '29942426', '29494047', '21698655']",B06AA03,D04456,578350,,,,,,,,,,,,
DB14741,9002-67-9,Luteinizing hormone,approved,,,,6383,,,,,,,,,,,,
DB00781,1404-26-8,Polymyxin B,"['vet_approved', 'approved']","['18840079', '23701329', '28275006', '30909507', '26324262', '30875778']","['A07AA05', 'S03AA03', 'S02AA11', 'J01XB02', 'S01AA18']",,8536,,,,,,50410807,,,49800004,[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)[C@@H](C)O)[C@@H](C)O,"InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+/m1/s1",WQVJHHACXVLGBL-BPJDFBQWSA-N
DB14743,,Avenanthramides,experimental,,,,,,,,,,,,,,,,
DB14744,,Spirulina platensis,experimental,,,,487252,,,,,,,,,,,,
DB14745,,Olea europaea leaf,experimental,,,,435657,,,,,,,,,,,,
DB14746,27836-64-2,Lauryl glucoside,experimental,,,,1364382,,,,,,,,,10893439,CCCCCCCCCCCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18?/m1/s1",PYIDGJJWBIBVIA-IHAUNJBESA-N
DB14747,,Ephedra sinica stem,experimental,,,,1551454,,,,,,,,,,,,
DB14748,,Polygala tenuifolia root,experimental,,,,1429948,,,,,,,,,,,,
DB14749,,Polygala senega root,"['experimental', 'approved']",,R05CA06,,1310087,,,,,,,,,,,,
DB14750,3607-18-9,Cidoxepin,experimental,,,,,,D7V,,ZINC000000001148,CHEMBL101740,50079527,,36691,667468,CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=CC=C2,"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-",ODQWQRRAPPTVAG-BOPFTXTBSA-N
DB14751,478166-15-3,Mecasermin rinfabate,approved,"['22654863', '19198769', '19627167', '18363546', '16610982', '17380212', '18165284']",H01AC05,,616877,,,,,,,,,,,,
DB14752,90-81-3,Racephedrine,"['experimental', 'approved']",,,,,,,,ZINC000000074840,CHEMBL2110656,,,,9457,CN[C@H](C)[C@@H](O)C1=CC=CC=C1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m1/s1",KWGRBVOPPLSCSI-PSASIEDQSA-N
DB14753,495-99-8,Hydroxystilbamidine,approved,"['6897222', '1090530']",,,,PA164745514,,1398,ZINC000000001547,CHEMBL1301,,,,5284571,NC(=N)C1=CC=C(\C=C\C2=C(O)C=C(C=C2)C(N)=N)C=C1,"InChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20)/b4-1+",TUESWZZJYCLFNL-DAFODLJHSA-N
DB14754,178429-62-4,Solriamfetol,approved,"['30598342', '29891587', '12502022', '30521757']",N06BA14,,2121751,,,5325,ZINC000034278783,CHEMBL4297620,,ADX-N-05,,10130337,N[C@@H](COC(N)=O)CC1=CC=CC=C1,"InChI=1S/C10H14N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/t9-/m1/s1",UCTRAOBQFUDCSR-SECBINFHSA-N
DB14755,24915-04-6,beta-Isosparteine,experimental,,,,,,,,ZINC000053683687,,,,,168213,[H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@@]12[H],"InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15-/m0/s1",SLRCCWJSBJZJBV-AJNGGQMLSA-N
DB14756,147-73-9,meso-Tartaric acid,experimental,,,,,,SRT,,ZINC000000895297,CHEMBL225983,50427212,,15673,447315,O[C@@H]([C@@H](O)C(O)=O)C(O)=O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+",FEWJPZIEWOKRBE-XIXRPRMCSA-N
DB14757,,Agrostis gigantea top,approved,,,,1310102,,,,,,,,,,,,
DB14758,,Catfish,approved,,,,2198979,,,,,,,,,,,,
DB14759,,Red pepper,approved,,,,1006340,,,,,,,,,,,,
DB14760,865466-24-6,Narlaprevir,experimental,,,,,,,,,,512786,,,56841942,CCCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,"InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24?,25-,26?,28?/m0/s1",RICZEKWVNZFTNZ-IOBYQIKSSA-N
DB14761,1809249-37-3,Remdesivir,"['approved', 'investigational']","['32275812', '33055231', '32350436', '12799156', '26934220', '28659436', '32483554', '29511076', '32284326', '32147516', '32054787']",,,2284718,,,5376,,CHEMBL4065616,429505,REMDESIVIR,145994,121304016,CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)C1=CC=C2N1N=CN=C2N)OC1=CC=CC=C1,"InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1",RWWYLEGWBNMMLJ-YSOARWBDSA-N
DB14762,1612838-76-2,Risankizumab,"['approved', 'investigational']","['25368619', '30519540', '30123942', '16756666', '28653357', '15099362', '29403472', '30518998', '25085957']",L04AC18,,2166040,,,,,,,,,,,,
DB14763,516-21-2,Cycloguanil,approved,,P01BB02,,,,1CY,754,ZINC000000001233,CHEMBL747,18792,,135029,9049,CC1(C)N=C(N)N=C(N)N1C1=CC=C(Cl)C=C1,"InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)",QMNFFXRFOJIOKZ-UHFFFAOYSA-N
DB14764,,"Dengue tetravalent vaccine, live",approved,,,,,,,,,,,,,,,,
DB14765,811803-05-1,Rivoceranib,investigational,,,,,,,5211,ZINC000070466461,CHEMBL3186534,,RIVOCERANIB MESYLATE,,11315474,O=C(NC1=CC=C(C=C1)C1(CCCC1)C#N)C1=CC=CN=C1NCC1=CC=NC=C1,"InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)",WPEWQEMJFLWMLV-UHFFFAOYSA-N
DB14766,1206123-37-6,Etrasimod,investigational,,,,,,,,ZINC000117522788,CHEMBL3358920,50041691,APD334,,44623998,OC(=O)C[C@H]1CCC2=C1NC1=C2C=C(OCC2=CC(=C(C=C2)C2CCCC2)C(F)(F)F)C=C1,"InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1",MVGWUTBTXDYMND-QGZVFWFLSA-N
DB14767,914617-98-4,Peginterferon lambda-1a,investigational,,,,,,,,,,,,,,,,
DB14768,1428774-45-1,PF-06459988,investigational,,,,,,,,ZINC000204947687,CHEMBL3786098,50159360,PF-06459988,,71535003,CO[C@H]1CN(C[C@@H]1COC1=C2C(Cl)=CNC2=NC(NC2=CN(C)N=C2)=N1)C(=O)C=C,"InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1",ODMXWZROLKITMS-RISCZKNCSA-N
DB14769,1446261-44-4,Pamiparib,investigational,,,,,,DS9,,ZINC000150196116,CHEMBL4112930,,PAMIPARIB,,135565554,C[C@]12CCCN1CC1=NNC(=O)C3=C4C(NC2=C14)=CC(F)=C3,"InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1",DENYZIUJOTUUNY-MRXNPFEDSA-N
DB14770,1800046-95-0,Lanraplenib,investigational,,,,,,R6D,,,CHEMBL3986824,212271,LANRAPLENIB,,118161062,NC1=CN=CC(=N1)C1=CN2C=CN=C2C(NC2=CC=C(C=C2)N2CCN(CC2)C2COC2)=N1,"InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)",XCIGZBVOUQVIPI-UHFFFAOYSA-N
DB14771,9003-05-8,Polyacrylamide (crosslinked; 2 mole percent bisacrylamide),investigational,,,,1993232,,,,,,,,,,,,
DB14772,1169942-33-9,DCFBC F-18,investigational,,,,,,,,,,,,,25067411,OC(=O)CC[C@H](NC(=O)N[C@@H](CSCC1=CC=C([18F])C=C1)C(O)=O)C(O)=O,"InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1/i17-1",IDTMSHGCAZPVLC-STUNTBJNSA-N
DB14773,1446090-79-4,Lifirafenib,investigational,,,,,,3K3,,ZINC000068764621,CHEMBL4209157,50453816,LIFIRAFENIB,,89670174,FC(F)(F)C1=CC2=C(C=C1)N=C(N2)[C@@H]1[C@H]2OC3=C(C=C(OC4=C5CCC(=O)NC5=NC=C4)C=C3)[C@@H]12,"InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1",NGFFVZQXSRKHBM-FKBYEOEOSA-N
DB14774,1238697-26-1,Balipodect,investigational,,,,,,3K9,,ZINC000114005494,CHEMBL3989972,,TAK-063,,46848915,COC1=CN(N=C(C2=CC=NN2C2=CC=CC=C2)C1=O)C1=CC=C(C=C1F)N1C=CC=N1,"InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3",KVHRYLNQDWXAGI-UHFFFAOYSA-N
DB14775,1371587-51-7,Cavosonstat,investigational,,,,,PA166163226,,,,CHEMBL3989910,,N-91115,,56960912,OC(=O)C1=CC(Cl)=C(C=C1)C1=NC2=CC=C(O)C=C2C=C1,"InChI=1S/C16H10ClNO3/c17-13-8-10(16(20)21)1-4-12(13)15-5-2-9-7-11(19)3-6-14(9)18-15/h1-8,19H,(H,20,21)",BXSZILNGNMDGSL-UHFFFAOYSA-N
DB14776,1798286-48-2,Camrelizumab,investigational,,,,,,,,,,,,,,,,
DB14777,944252-63-5,Murepavadin,investigational,,,,,,,,,CHEMBL3946483,,RO7033877,,91824766,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O,"InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-53(33-41-35-80-45-15-8-6-13-43(41)45)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)82-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-54(68(106)92-58)34-42-36-81-46-16-9-7-14-44(42)46/h6-9,13-16,35-36,38-40,47-59,80-81,96-97H,5,10-12,17-34,37,74-79H2,1-4H3,(H,82,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38-,39-,40+,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-/m0/s1",RIDRXGOBXZLKHZ-NZUANIILSA-N
DB14778,1847394-95-9,Setrusumab,investigational,,,,,,,,,,,,,,,,
DB14779,1207989-09-0,LGD-6972,investigational,,,,,,,,,CHEMBL4297469,,LGD-6972,,44625560,CC1=CC(C)=C(C(C)=C1)C1=CC=C(NC(=O)[C@H](CC2=CC=C(C=C2)C(=O)NCCS(O)(=O)=O)C2=CC=C(C=C2)C2=CC=C(C=C2)C(C)(C)C)C=C1,"InChI=1S/C43H46N2O5S/c1-28-25-29(2)40(30(3)26-28)35-17-21-38(22-18-35)45-42(47)39(27-31-7-9-36(10-8-31)41(46)44-23-24-51(48,49)50)34-13-11-32(12-14-34)33-15-19-37(20-16-33)43(4,5)6/h7-22,25-26,39H,23-24,27H2,1-6H3,(H,44,46)(H,45,47)(H,48,49,50)/t39-/m1/s1",HKJMCBYPVCGZFB-LDLOPFEMSA-N
DB14780,1659310-95-8,Pegzilarginase,investigational,,,,,,,,,,,,,,,,
DB14781,1312305-12-6,Vofatamab,investigational,,,,,,,,,,,,,,,,
DB14782,2088232-70-4,Tofersen,investigational,,,,,,,,,,,,,,,,
DB14783,1577222-14-0,Diroximel fumarate,"['approved', 'investigational']","['31538304', '28367411', '15373936', '29410647', '24139424', '24722325']",,,2261783,,,,ZINC000215286156,CHEMBL3989944,,BIIB-098,,73330464,COC(=O)\C=C\C(=O)OCCN1C(=O)CCC1=O,"InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+",YIMYDTCOUQIDMT-SNAWJCMRSA-N
DB14784,1509928-00-0,Gancotamab,investigational,,,,,,,,,,,,,,,,
DB14785,1434048-34-6,Fenebrutinib,investigational,,,,,,9AJ,,ZINC000220197997,CHEMBL4065122,50244440,FENEBRUTINIB,,86567195,C[C@H]1CN(CCN1C1=CC=C(NC2=CC(=CN(C)C2=O)C2=C(CO)C(=NC=C2)N2CCN3C4=C(CC(C)(C)C4)C=C3C2=O)N=C1)C1COC1,"InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1",WNEODWDFDXWOLU-QHCPKHFHSA-N
DB14786,1311294-45-7,Nerofe,investigational,,,,,,,,,,,,,91801207,CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(O)=O,"InChI=1S/C96H129N21O20/c1-52(2)41-71(85(126)110-74(46-59-49-103-66-31-17-14-28-62(59)66)88(129)106-69(36-37-79(121)122)84(125)105-68(34-21-39-101-96(99)100)83(124)107-70(95(136)137)33-19-20-38-97)111-92(133)81(55(6)120)116-90(131)77(51-118)114-91(132)78-35-22-40-117(78)94(135)76(42-53(3)4)113-87(128)72(43-56-23-9-7-10-24-56)109-86(127)73(44-57-25-11-8-12-26-57)112-93(134)80(54(5)119)115-89(130)75(47-60-50-104-67-32-18-15-29-63(60)67)108-82(123)64(98)45-58-48-102-65-30-16-13-27-61(58)65/h7-18,23-32,48-50,52-55,64,68-78,80-81,102-104,118-120H,19-22,33-47,51,97-98H2,1-6H3,(H,105,125)(H,106,129)(H,107,124)(H,108,123)(H,109,127)(H,110,126)(H,111,133)(H,112,134)(H,113,128)(H,114,132)(H,115,130)(H,116,131)(H,121,122)(H,136,137)(H4,99,100,101)/t54-,55-,64-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m1/s1",FNQVICDIQNFNHD-AXBBNSRTSA-N
DB14787,1197420-06-6,BMS-830216,investigational,,,,,,,,,CHEMBL2147475,,BMS-830216,,44539266,COC1=CC(=CC=C1OC[C@H](OP(O)(O)=O)C1CC1)N1C=NC2=C(SC(=C2)C2=CC=C(Cl)C=C2)C1=O,"InChI=1S/C24H22ClN2O7PS/c1-32-20-10-17(8-9-19(20)33-12-21(14-2-3-14)34-35(29,30)31)27-13-26-18-11-22(36-23(18)24(27)28)15-4-6-16(25)7-5-15/h4-11,13-14,21H,2-3,12H2,1H3,(H2,29,30,31)/t21-/m0/s1",YDTUJCNTIMWHPJ-NRFANRHFSA-N
DB14788,1960462-19-4,Prasinezumab,investigational,,,,,,,,,,,,,,,,
DB14789,1528523-94-5,Dectrekumab,investigational,,,,,,,,,,,,,,,,
DB14790,1606975-12-5,BPN-14770,investigational,,,,,,,,,CHEMBL4541964,50524994,BPN14770,,90111638,NC(=O)CC1=CC=C(NC2=NC(=NC(=C2)C(F)(F)F)C2=CC=CC(Cl)=C2)C=C1,"InChI=1S/C19H14ClF3N4O/c20-13-3-1-2-12(9-13)18-26-15(19(21,22)23)10-17(27-18)25-14-6-4-11(5-7-14)8-16(24)28/h1-7,9-10H,8H2,(H2,24,28)(H,25,26,27)",KRRGWHSEDYQKDQ-UHFFFAOYSA-N
DB14791,1627539-18-7,GDC-0425,investigational,,,,,,,,,,,,,58266779,CCN1CCC(CC1)OC1=C(N=CC2=C1C1=C(N2)N=CC=C1)C#N,"InChI=1S/C18H19N5O/c1-2-23-8-5-12(6-9-23)24-17-14(10-19)21-11-15-16(17)13-4-3-7-20-18(13)22-15/h3-4,7,11-12H,2,5-6,8-9H2,1H3,(H,20,22)",XEZLBMHDUXSICI-UHFFFAOYSA-N
DB14792,2143010-83-5,AZD-5991,investigational,,,,,,E4W,,,CHEMBL4297482,333146,AZD 5991,,131634760,CN1N=C2CSCC3=NN(C)C(CSC4=CC5=C(C=CC=C5)C(OCCCC5=C(N(C)C6=C5C=CC(Cl)=C6C2=C1C)C(O)=O)=C4)=C3,"InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)",KBQCEQAXHPIRTF-UHFFFAOYSA-N
DB14793,939981-39-2,RO-5045337,investigational,,,,,,1F0,,ZINC000096270381,CHEMBL2386346,50434287,R 7112,,57406853,CCOC1=C(C=CC(=C1)C(C)(C)C)C1=N[C@@](C)(C2=CC=C(Cl)C=C2)[C@](C)(N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1)C1=CC=C(Cl)C=C1,"InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1",QBGKPEROWUKSBK-QPPIDDCLSA-N
DB14794,914009-86-2,Glepaglutide,investigational,,,,,,,,,,,,,,,,
DB14795,1626387-80-1,AZD-3759,investigational,,,,,,,,ZINC000221149242,CHEMBL3623290,50123453,AZD3759,,78209992,COC1=C(OC(=O)N2CCN(C)C[C@H]2C)C=C2C(NC3=C(F)C(Cl)=CC=C3)=NC=NC2=C1,"InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1",MXDSJQHFFDGFDK-CYBMUJFWSA-N
DB14796,1826831-79-1,Talacotuzumab,investigational,,,,,,,,,,,,,,,,
DB14797,,SEphB4-HSA,investigational,,,,,,,,,,,,,,,,
DB14798,1589503-30-9,Afasevikumab,investigational,,,,,,,,,,,,,,,,
DB14799,1844849-10-0,PF-06821497,investigational,,,,,,CJD,,,CHEMBL4080228,50246967,PF-06821497,,118572065,CO[C@H](C1COC1)C1=C(Cl)C2=C(CCN(CC3=C(OC)C=C(C)NC3=O)C2=O)C(Cl)=C1,"InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1",RXCVUHMIWHRLDF-HXUWFJFHSA-N
DB14800,,GP-100 antigen,investigational,,,,,,,,,,,,,,,,
DB14801,927961-18-0,Lanifibranor,investigational,,,,,,BJB,,,CHEMBL4091374,50244350,IVA-337,,68677842,OC(=O)CCCC1=CC2=C(C=CC(Cl)=C2)N1S(=O)(=O)C1=CC2=C(C=C1)N=CS2,"InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)",OQDQIFQRNZIEEJ-UHFFFAOYSA-N
DB14802,895169-20-7,ONO-2952,investigational,,,,,,,,,CHEMBL4297311,,ONO-2952,,11524127,COC1=C(C=CC(Cl)=C1)[C@@H]1N(CC2(CC2)C2=C1NC1=C2C(F)=CC=C1)C(C)=O,"InChI=1S/C22H20ClFN2O2/c1-12(27)26-11-22(8-9-22)19-18-15(24)4-3-5-16(18)25-20(19)21(26)14-7-6-13(23)10-17(14)28-2/h3-7,10,21,25H,8-9,11H2,1-2H3/t21-/m0/s1",ZBQMTQGDBFZUBG-NRFANRHFSA-N
DB14803,1427001-89-5,AMY-101,investigational,,,,,,,,,,,,,,CC[C@H](C)[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CN(C)C3=C2C=CC=C3)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(N)=O,"InChI=1S/C83H117N23O18S2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90)/t43-,44-,45-,53+,55-,56?,57-,58?,59-,60-,61?,62?,67?,68-,69-/m0/s1",MUSGYEMSJUFFHT-MHLWMKJLSA-N
DB14804,14158-31-7,Iodine I-125,investigational,,,,253341,,,,,,,,,131873571,[125I],InChI=1S/I/i1-2,ZCYVEMRRCGMTRW-YPZZEJLDSA-N
DB14805,1207181-29-0,Piflufolastat F 18,"['approved', 'investigational']","['23256224', '22658884']",,,2556616,,,5458,,CHEMBL4297334,,,,52950901,OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(O)=O)C(O)=O,"InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1/i19-1",OLWVRJUNLXQDSP-MVBOSPHXSA-N
DB14806,133514-43-9,Avexitide,investigational,,,,,,,,,,,,,129012199,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,"InChI=1S/C149H234N40O47S/c1-14-78(10)120(185-139(227)98(62-81-29-16-15-17-30-81)177-136(224)97(61-76(6)7)175-129(217)88(35-24-53-158-149(156)157)172-144(232)119(77(8)9)184-122(210)79(11)164-126(214)90(41-46-114(199)200)168-131(219)91(42-47-115(201)202)169-132(220)92(43-48-116(203)204)170-134(222)94(50-58-237-13)171-130(218)89(40-45-109(153)194)167-127(215)86(33-20-22-51-150)166-140(228)103(72-192)182-137(225)95(59-74(2)3)174-123(211)84(152)64-118(207)208)145(233)173-93(44-49-117(205)206)133(221)178-99(63-82-66-159-85-32-19-18-31-83(82)85)138(226)176-96(60-75(4)5)135(223)165-87(34-21-23-52-151)128(216)179-100(65-110(154)195)124(212)161-67-111(196)160-69-113(198)186-54-25-36-105(186)142(230)183-104(73-193)141(229)181-102(71-191)125(213)162-68-112(197)163-80(12)146(234)188-56-27-38-107(188)148(236)189-57-28-39-108(189)147(235)187-55-26-37-106(187)143(231)180-101(70-190)121(155)209/h15-19,29-32,66,74-80,84,86-108,119-120,159,190-193H,14,20-28,33-65,67-73,150-152H2,1-13H3,(H2,153,194)(H2,154,195)(H2,155,209)(H,160,196)(H,161,212)(H,162,213)(H,163,197)(H,164,214)(H,165,223)(H,166,228)(H,167,215)(H,168,219)(H,169,220)(H,170,222)(H,171,218)(H,172,232)(H,173,233)(H,174,211)(H,175,217)(H,176,226)(H,177,224)(H,178,221)(H,179,216)(H,180,231)(H,181,229)(H,182,225)(H,183,230)(H,184,210)(H,185,227)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,156,157,158)/t78-,79-,80-,84-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-/m0/s1",WSEVKKHALHSUMB-RYVRVIGHSA-N
DB14807,1009838-50-9,Demplatin pegraglumer,investigational,,,,,,,,,,,,,,,,
DB14808,1445385-02-3,Lumicitabine,investigational,,,,,,,,ZINC000147003908,CHEMBL3417258,,LUMICITABINE,,89658382,CC(C)C(=O)OC[C@@]1(CCl)O[C@H]([C@H](F)[C@@H]1OC(=O)C(C)C)N1C=CC(N)=NC1=O,"InChI=1S/C18H25ClFN3O6/c1-9(2)15(24)27-8-18(7-19)13(28-16(25)10(3)4)12(20)14(29-18)23-6-5-11(21)22-17(23)26/h5-6,9-10,12-14H,7-8H2,1-4H3,(H2,21,22,26)/t12-,13+,14-,18-/m1/s1",MJVKYGMNSQJLIN-KYZVSKTDSA-N
DB14809,1375258-01-7,Anetumab ravtansine,investigational,,,,,,,,,,,,,,,,
DB14810,919783-22-5,AZD-1656,investigational,,,,,,,,,CHEMBL3219124,,AZD 1656,,16039797,COC[C@H](C)OC1=CC(=CC(OC2=NC=C(N=C2)C(=O)N2CCC2)=C1)C(=O)NC1=NC=C(C)N=C1,"InChI=1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)/t16-/m0/s1",FJEJHJINOKKDCW-INIZCTEOSA-N
DB14811,1461640-62-9,Isatuximab,"['approved', 'investigational']","['30516432', '30294326', '30546360', '29300693', '30692097', '31847708', '31779273', '30862646']",,,2282018,,,,,,,,,,,,
DB14812,56645-65-9,Procalcitonin,investigational,,,,,,,,,,,,,,,,
DB14813,849753-15-7,PF-232798,investigational,,,,,,,,,CHEMBL1649931,50334964,PF-232798,,,CC(C)C(=O)N1CCC2=C(C1)N=C(C)N2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)C1=CC=CC(F)=C1,"InChI=1S/C29H40FN5O2/c1-18(2)29(37)33-12-11-28-27(17-33)31-19(3)35(28)25-15-23-8-9-24(16-25)34(23)13-10-26(32-20(4)36)21-6-5-7-22(30)14-21/h5-7,14,18,23-26H,8-13,15-17H2,1-4H3,(H,32,36)/t23-,24+,25+,26-/m0/s1",QETUKYDWZIRTEI-QUMGSSFMSA-N
DB14814,1383982-64-6,Lanabecestat,investigational,,,,,,,,,CHEMBL3989948,136735,LY-3314814,,,CO[C@H]1CC[C@@]2(CC3=CC=C(C=C3[C@@]22N=C(C)C(N)=N2)C2=CC(=CN=C2)C#CC)CC1,"InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26-/m0/s1",WKDNQONLGXOZRG-HRNNMHKYSA-N
DB14815,52286-59-6,Ginsenoside B2,investigational,,,,,,,,ZINC000242620164,CHEMBL510095,50378779,GINSENOSIDE RE,77148,441921,[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1",PWAOOJDMFUQOKB-WCZZMFLVSA-N
DB14816,911338-45-9,Biropepimut-S,investigational,,,,,,,,,,,,,,,,
DB14817,1492924-65-8,Pegapamodutide,investigational,,,,,,,,,,,,,,,,
DB14818,2056878-75-0,Osocimab,investigational,,,,,,,,,,,,,,,,
DB14819,1226822-98-5,Cobitolimod,investigational,,,,,,,,,,,,,,,,
DB14820,139001-49-3,Profoxydim,investigational,,,,,,,,,,,,144786,135565117,CCCC(=NOCC(C)OC1=CC=C(Cl)C=C1)C1=C(O)CC(CC1=O)C1CCCSC1,"InChI=1S/C24H32ClNO4S/c1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17/h7-10,16-18,27H,3-6,11-15H2,1-2H3",KRQUFUKTQHISJB-UHFFFAOYSA-N
DB14821,1377239-83-2,Macozinone,investigational,,,,,,,,ZINC000141433347,CHEMBL3330226,50515570,PBTZ-169,,57331386,[O-][N+](=O)C1=C2SC(=NC(=O)C2=CC(=C1)C(F)(F)F)N1CCN(CC2CCCCC2)CC1,"InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2",BJDZBXGJNBMCAV-UHFFFAOYSA-N
DB14822,380899-24-1,SB-649868,investigational,,,,,,,,,CHEMBL1272307,50417257,SB-649868,,25195495,CC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC=CC3=C2C=CO3)=C(S1)C1=CC=C(F)C=C1,"InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1",ZJXIUGNEAIHSBI-IBGZPJMESA-N
DB14823,1228088-30-9,Balovaptan,investigational,,,,,,,,,CHEMBL4297183,,RO5285119,,,CN1CC2=NN=C([C@H]3CC[C@@H](CC3)OC3=NC=CC=C3)N2C2=CC=C(Cl)C=C2C1,"InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3/t15-,18-",GMPZPHGHNDMRKL-RZDIXWSQSA-N
DB14824,1024603-92-6,Icrucumab,investigational,,,,,,,,,,,,,,,,
DB14825,1402357-06-5,Danvatirsen,investigational,,,,,,,,,,,,,,,,
DB14826,210631-68-8,Topramezone,investigational,,,,,,,,ZINC000101094494,CHEMBL2272076,,,131999,,CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O,"InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,21H,6-7H2,1-3H3",IYMLUHWAJFXAQP-UHFFFAOYSA-N
DB14827,1310460-86-6,Modotuximab,investigational,,,,,,,,,,,,,,,,
DB14828,1258453-75-6,ABX-464,investigational,,,,,,,,,CHEMBL4297344,,ABX 464,,49846599,FC(F)(F)OC1=CC=C(NC2=CC=C3C=CC=C(Cl)C3=N2)C=C1,"InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)",OZOGDCZJYVSUBR-UHFFFAOYSA-N
DB14829,1983970-12-2,Uproleselan,investigational,,,,,,,,,CHEMBL3989971,,GMI-1271,,71600085,CC[C@H]1C[C@H](C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(O)=O)[C@H]2NC(C)=O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC,"InChI=1S/C60H109N3O27/c1-5-44-38-45(39-46(55(44)90-60-54(70)53(69)51(67)41(2)86-60)88-59-50(63-42(3)65)56(52(68)48(40-64)89-59)87-47(58(72)73)37-43-9-7-6-8-10-43)57(71)62-13-12-61-49(66)11-14-75-17-18-77-21-22-79-25-26-81-29-30-83-33-34-85-36-35-84-32-31-82-28-27-80-24-23-78-20-19-76-16-15-74-4/h41,43-48,50-56,59-60,64,67-70H,5-40H2,1-4H3,(H,61,66)(H,62,71)(H,63,65)(H,72,73)/t41-,44-,45+,46+,47-,48+,50+,51+,52-,53+,54-,55+,56+,59+,60-/m0/s1",LYSYOXNOOPBOSC-NGSKMYNLSA-N
DB14830,104613-87-8,Fluoromisonidazole F-18,investigational,,,,,,,,,CHEMBL2037002,,,,450173,OC(C[18F])CN1C=CN=C1[N+]([O-])=O,"InChI=1S/C6H8FN3O3/c7-3-5(11)4-9-2-1-8-6(9)10(12)13/h1-2,5,11H,3-4H2/i7-1",HIIJZYSUEJYLMX-JZRMKITLSA-N
DB14831,1894272-37-7,BMS-986012,investigational,,,,,,,,,,,,,,,,
DB14832,31621-87-1,Polydioxanone,investigational,,,,,,,,,,,,,,,,
DB14833,,Recombinant human lecithin:cholesterol acyltransferase,investigational,,,,,,,,,,,,,,,,
DB14834,1337966-73-0,Olendalizumab,investigational,,,,,,,,,,,,,,,,
DB14835,1394808-82-2,SUVN-G3031,investigational,,,,,,,,,CHEMBL4297328,,SAMELISANT,,60151477,O=C(CN1CCOCC1)NC1=CC=C(OC2CCN(CC2)C2CCC2)C=C1,"InChI=1S/C21H31N3O3/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18/h4-7,18,20H,1-3,8-16H2,(H,22,25)",LNXDUSQEXVQFGP-UHFFFAOYSA-N
DB14836,68424-04-4,Polydextrose,investigational,,,,1363053,,,,,,,,,,,,
DB14838,1781223-80-0,Telisotuzumab,investigational,,,,,,,,,,,,,,,,
DB14839,1630202-02-6,TOP-1288,investigational,,,,,,,,ZINC000169711318,CHEMBL3681949,142019,TOP1288,,81689783,COCCOCCOCCNC(=O)C1=CC(=CC(NC2=NC=CC(OC3=C4C=CC=CC4=C(NC(=O)NC4=CC(=CC(NS(C)(=O)=O)=C4OC)C(C)(C)C)C=C3)=N2)=C1)C#C,"InChI=1S/C43H49N7O9S/c1-8-28-23-29(40(51)44-17-18-57-21-22-58-20-19-55-5)25-31(24-28)46-41-45-16-15-38(49-41)59-37-14-13-34(32-11-9-10-12-33(32)37)47-42(52)48-35-26-30(43(2,3)4)27-36(39(35)56-6)50-60(7,53)54/h1,9-16,23-27,50H,17-22H2,2-7H3,(H,44,51)(H,45,46,49)(H2,47,48,52)",FWXVGKSWZJEPQI-UHFFFAOYSA-N
DB14840,1442472-39-0,Ripretinib,approved,"['31205499', '31267077', '30259761', '26826719', '32273716', '31755321']",,,2369389,,,5394,,CHEMBL4216467,,DCC-2618,,71584930,CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1,"InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)",CEFJVGZHQAGLHS-UHFFFAOYSA-N
DB14841,924012-43-1,Centanafadine,investigational,,,,,,,,,CHEMBL3301621,,CENTANAFADINE,,16095349,C1[C@@H]2CNC[C@]12C1=CC=C2C=CC=CC2=C1,"InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1",HKHCSWPSUSWGLI-CABCVRRESA-N
DB14843,1365267-33-9,Codrituzumab,investigational,,,,,,,,,,,,,,,,
DB14844,1616632-77-9,ONC-201,investigational,,,,,,,,ZINC000169620396,CHEMBL4297310,,TIC10,,73777259,CC1=CC=CC=C1CN1C2=NCCN2C2=C(CN(CC3=CC=CC=C3)CC2)C1=O,"InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3",VLULRUCCHYVXOH-UHFFFAOYSA-N
DB14845,1206161-97-8,Filgotinib,"['approved', 'investigational']","['26482170', '28441353', '25681059', '29736302', '31912462', '29942363', '22150658', '29461286', '31692920']",,,,,2HB,5419,ZINC000096174616,CHEMBL3301607,103727,FILGOTINIB,,49831257,O=C(NC1=NN2C(C=CC=C2C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)=N1)C1CC1,"InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)",RIJLVEAXPNLDTC-UHFFFAOYSA-N
DB14846,1225037-39-7,Bimiralisib,investigational,,,,,,A3W,,ZINC000068203488,CHEMBL4084907,50240975,PQR309,,58507717,NC1=NC=C(C2=NC(=NC(=N2)N2CCOCC2)N2CCOCC2)C(=C1)C(F)(F)F,"InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)",ADGGYDAFIHSYFI-UHFFFAOYSA-N
DB14847,1826819-58-2,Azintuxizumab vedotin,investigational,,,,,,,,,,,,,,,,
DB14848,1849636-24-3,Tibulizumab,investigational,,,,,,,,,,,,,,,,
DB14849,274925-86-9,Nebicapone,investigational,,,,,,,,ZINC000000008750,CHEMBL160038,50108878,NEBICAPONE,,9838389,OC1=C(O)C(=CC(=C1)C(=O)CC1=CC=CC=C1)[N+]([O-])=O,"InChI=1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2",MRFOLGFFTUGAEB-UHFFFAOYSA-N
DB14850,863884-77-9,Deleobuvir,investigational,,,,,PA166128130,,,,CHEMBL2403318,,BI-207127,,56948249,CN1C2=C(C=CC(\C=C\C(O)=O)=C2)N=C1C1(CCC1)NC(=O)C1=CC2=C(C=C1)C(C1CCCC1)=C(N2C)C1=NC=C(Br)C=N1,"InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43)/b13-9+",BMAIGAHXAJEULY-UKTHLTGXSA-N
DB14851,1673516-98-7,Relatlimab,investigational,,,,,,,,,,,,,,,,
DB14852,1387453-03-3,PRM-151,investigational,,,,,,,,,,,,,,,,
DB14853,406461-66-3,Myrcludex B,investigational,,,,,,,,,,,,,,,,
DB14854,1196701-27-5,TC-6987,investigational,,,,,,,,,,,,,44511587,FC1=CC(=CC(F)=C1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1CC1=CN=CC=C1,"InChI=1S/C20H21F2N3O/c21-16-9-15(10-17(22)11-16)20(26)24-19-14-3-6-25(7-4-14)18(19)8-13-2-1-5-23-12-13/h1-2,5,9-12,14,18-19H,3-4,6-8H2,(H,24,26)/t18-,19+/m0/s1",UAKZGMMGIMKFMV-RBUKOAKNSA-N
DB14855,932-30-9,2-(aminomethyl)phenol,investigational,,,,,,,,ZINC000000153936,CHEMBL155572,50446752,2-(AMINOMETHYL)PHENOL,,70267,NCC1=CC=CC=C1O,"InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2",KPRZOPQOBJRYSW-UHFFFAOYSA-N
DB14856,1235403-62-9,PF-05089771,investigational,,,,,,,,ZINC000095582552,CHEMBL2325014,50240267,,,46840946,NC1=C(C=NN1)C1=CC(Cl)=CC=C1OC1=CC(F)=C(C=C1Cl)S(=O)(=O)NC1=CSC=N1,"InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)",ZYSCOUXLBXGGIM-UHFFFAOYSA-N
DB14857,1015474-32-4,Avadomide,investigational,,,,,,,,,CHEMBL3989934,76986,CC-122,,24967599,CC1=NC2=C(C(N)=CC=C2)C(=O)N1C1CCC(=O)NC1=O,"InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)",RSNPAKAFCAAMBH-UHFFFAOYSA-N
DB14858,220712-29-8,Tadekinig alfa,investigational,,,,,,,,,,,,,,,,
DB14859,1332837-31-6,Fosifloxuridine nafalbenamide,investigational,,,,,,,,,CHEMBL2181367,,FOSIFLOXURIDINE NAFALBENAMIDE,,53373585,C[C@H](NP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O)OC1=C2C=CC=CC2=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C29H29FN3O9P/c1-18(28(36)39-16-19-8-3-2-4-9-19)32-43(38,42-24-13-7-11-20-10-5-6-12-21(20)24)40-17-25-23(34)14-26(41-25)33-15-22(30)27(35)31-29(33)37/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,31,35,37)/t18-,23-,25+,26+,43?/m0/s1",BIOWRMNRHMERIO-ZVAHOJSLSA-N
DB14860,1370651-20-9,Ensartinib,investigational,,,,,,,,ZINC000199407645,CHEMBL4113131,179297,X-396,,56960363,C[C@@H](OC1=CC(=NN=C1N)C(=O)NC1=CC=C(C=C1)C(=O)N1C[C@H](C)N[C@H](C)C1)C1=C(Cl)C=CC(F)=C1Cl,"InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1",GLYMPHUVMRFTFV-QLFBSQMISA-N
DB14862,1900686-46-5,PF-06815345,investigational,,,,,,,,,CHEMBL4227721,,PF-06815345,,121276853,CCOC(=O)O[C@@H](C)N1N=NN=C1C1=C(C=NN1C)C1=CC=C(C=C1F)C(=O)N([C@@H]1CCCNC1)C1=NC=CC=C1Cl,"InChI=1S/C27H29ClFN9O4/c1-4-41-27(40)42-16(2)38-25(33-34-35-38)23-20(15-32-36(23)3)19-10-9-17(13-22(19)29)26(39)37(18-7-5-11-30-14-18)24-21(28)8-6-12-31-24/h6,8-10,12-13,15-16,18,30H,4-5,7,11,14H2,1-3H3/t16-,18+/m0/s1",QTBYVAZRKWOIDU-FUHWJXTLSA-N
DB14864,1531589-13-5,Brolucizumab,"['approved', 'investigational']","['16478695', '28551167', '31413539', '28653357', '23257829']",S01LA06,,2204915,,,,,,,,,,,,
DB14865,,Human interleukin-2,investigational,,,,,,,,,,,,,,,,
DB14866,1129403-56-0,Amcasertib,investigational,,,,,,,,,CHEMBL3707349,,AMCASERTIB,,25190990,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=CC=C(C=C23)C2=CSC(=N2)C2=CC=CC=C2)=C1C,"InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b24-17-",QDWKGEFGLQMDAM-ULJHMMPZSA-N
DB14867,1426698-88-5,Parsaclisib,investigational,,,,,,,,,CHEMBL4297615,272573,INCB-050465,,86677874,CCOC1=C(C=C(Cl)C(F)=C1[C@@H]1CNC(=O)C1)[C@H](C)N1N=C(C)C2=C1N=CN=C2N,"InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1",ZQPDJCIXJHUERQ-QWRGUYRKSA-N
DB14868,866269-28-5,AZD-8848,investigational,,,,,,,,,CHEMBL4297356,,AZD-8848,,11592228,CCCCOC1=NC2=C(NC(=O)N2CCCN(CCCN2CCOCC2)CC2=CC=CC(CC(=O)OC)=C2)C(N)=N1,"InChI=1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)",FEFIBEHSXLKJGI-UHFFFAOYSA-N
DB14869,946150-57-8,Remetinostat,investigational,,,,,,,,,CHEMBL3707219,,SHP-141,,24875489,COC(=O)C1=CC=C(OC(=O)CCCCCCC(=O)NO)C=C1,"InChI=1S/C16H21NO6/c1-22-16(20)12-8-10-13(11-9-12)23-15(19)7-5-3-2-4-6-14(18)17-21/h8-11,21H,2-7H2,1H3,(H,17,18)",XDZAHHULFQIBFE-UHFFFAOYSA-N
DB14870,1334782-79-4,PF-5190457,investigational,,,,,,,,ZINC000072317087,CHEMBL3287218,50019926,PF-5190457,,58438464,CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]4CCC5=C4C=CC(=C5)C4=CC(C)=NC=N4)CC3)N=C2S1,"InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1",ZIUDADZJCKGWKR-AREMUKBSSA-N
DB14871,1417158-65-6,Xentuzumab,investigational,,,,,,,,,,,,,,,,
DB14872,141206-42-0,Lucerastat,investigational,,,,,,,,ZINC000013719785,CHEMBL1086997,50312528,LUCERASTAT,,501391,CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO,"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1",UQRORFVVSGFNRO-XFWSIPNHSA-N
DB14873,1402042-02-7,Enadenotucirev,investigational,,,,,,,,,,,,,,,,
DB14874,1509916-03-3,Cergutuzumab amunaleukin,investigational,,,,,,,,,,,,,,,,
DB14875,1024033-43-9,AZD-4017,investigational,,,,,,14M,,ZINC000095575356,CHEMBL2153191,50392216,AZD-4017,,24946280,CCCSC1=C(C=CC(=N1)N1CCC[C@@H](CC(O)=O)C1)C(=O)NC1CCCCC1,"InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1",NCDZABJPWMBMIQ-INIZCTEOSA-N
DB14876,1260533-36-5,TAS-116,investigational,,,,,,,,ZINC000169703510,CHEMBL3661115,126083,TAS-116,,67501411,CCC1=CC(=CC=C1N1N=C(C(C)C)C2=C1N=CC=C2N1C=NC(=C1)C1=CN(C)N=C1)C(N)=O,"InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)",NVVPMZUGELHVMH-UHFFFAOYSA-N
DB14877,166089-32-3,Lintuzumab,investigational,,,,,,,,,,,,,,,,
DB14878,1198790-53-2,Liafensine,investigational,,,,,,,,,CHEMBL2364614,50459930,BMS-820836,177531,58212050,CN1C[C@@H](C2=CC3=C(C=CC=C3)C=C2)C2=CC=C(C=C2C1)C1=NN=C(N)C=C1,"InChI=1S/C24H22N4/c1-28-14-20-13-19(23-10-11-24(25)27-26-23)8-9-21(20)22(15-28)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,22H,14-15H2,1H3,(H2,25,27)/t22-/m0/s1",VCIBGDSRPUOBOG-QFIPXVFZSA-N
DB14879,1225208-94-5,Cefiderocol,"['approved', 'investigational']","['30509675', '6295267', '29061741', '30730562']",,,2265702,,,5352,,CHEMBL3989974,,S-649266,140376,77843966,[H][C@]12SCC(C[N+]3(CCNC(=O)C4=C(Cl)C(O)=C(O)C=C4)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=CSC(N)=N1)C([O-])=O,"InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1",DBPPRLRVDVJOCL-FQRUVTKNSA-N
DB14880,,Uteroglobin,investigational,,,,,,,,,,,,,,,,
DB14881,1401028-24-7,Oliceridine,"['approved', 'investigational']","['31010646', '27533032', '23300227', '29393971', '27778501', '29686804', '31162798', '24954166', '30881102', '26683109', '29412458', '30880365', '29062240', '24063433']",,,2392230,,,5406,ZINC000096940334,CHEMBL2443262,50493818,OLICERIDINE,,66553195,COC1=C(CNCC[C@]2(CCOC3(CCCC3)C2)C2=NC=CC=C2)SC=C1,"InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1",DMNOVGJWPASQDL-OAQYLSRUSA-N
DB14882,916574-83-9,CEP-9722,investigational,,,,,,,,,CHEMBL4297461,,CEP 9722,,24780387,COC1=CC=CC2=C1C1=C(N2)C2=C(CCC2)C2=C1C(=O)N(CN1CCN(C)CC1)C2=O,"InChI=1S/C24H26N4O3/c1-26-9-11-27(12-10-26)13-28-23(29)18-14-5-3-6-15(14)22-20(21(18)24(28)30)19-16(25-22)7-4-8-17(19)31-2/h4,7-8,25H,3,5-6,9-13H2,1-2H3",CTLOSZHDGZLOQE-UHFFFAOYSA-N
DB14883,1467093-03-3,Lorecivivint,investigational,,,,,,,,,CHEMBL4297639,,SM-04690,,135565709,CC(C)CC(=O)NC1=CC(=CN=C1)C1=CC2=C(NN=C2C2=NC3=C(C=NC=C3N2)C2=CC=CC(F)=C2)C=C1,"InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)",AQDWDWAYVBQMAM-UHFFFAOYSA-N
DB14884,959963-46-3,Imgatuzumab,investigational,,,,,,,,,,,,,,,,
DB14885,1394033-54-5,PF-05180999,investigational,,,,,,,,ZINC000103257178,CHEMBL3092562,107767,PF-05180999,,60143346,CN1N=CC(C2=C3N(N=CN=C3N3CCC3)C(C)=N2)=C1C1=NC=C(C=C1)C(F)(F)F,"InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3",CLGCHUKGBICQTE-UHFFFAOYSA-N
DB14886,901117-03-1,BIO-11006,investigational,,,,,,,,,,,,,11622197,C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O,"InChI=1S/C46H75N13O15/c1-24(51-36(64)22-50-28(5)62)39(66)54-31(17-18-35(49)63)41(68)57-33(21-29-13-7-6-8-14-29)43(70)58-34(23-60)44(71)55-30(15-9-11-19-47)42(69)59-37(27(4)61)45(72)53-25(2)38(65)52-26(3)40(67)56-32(46(73)74)16-10-12-20-48/h6-8,13-14,24-27,30-34,37,60-61H,9-12,15-23,47-48H2,1-5H3,(H2,49,63)(H,50,62)(H,51,64)(H,52,65)(H,53,72)(H,54,66)(H,55,71)(H,56,67)(H,57,68)(H,58,70)(H,59,69)(H,73,74)/t24-,25-,26-,27+,30-,31-,32-,33-,34-,37-/m0/s1",KCSNGWMKFYVMKF-HGYIIGRXSA-N
DB14887,1109276-89-2,PF-04620110,investigational,,,,,,,,ZINC000116139756,CHEMBL1835919,50355142,PF-04620110,,,NC1=NC=NC2=C1C(=O)N(CCO2)C1=CC=C(C=C1)[C@H]1CC[C@H](CC(O)=O)CC1,"InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-",GEVVQZHMFVFGLN-HDJSIYSDSA-N
DB14888,301297-45-0,IQP-0528,investigational,,,,,,,,ZINC000006521896,CHEMBL556417,50480660,,,483499,CC(C)C1=C(N(CC2CC2)C(=O)NC1=O)C(=O)C1=CC(C)=CC(C)=C1,"InChI=1S/C20H24N2O3/c1-11(2)16-17(18(23)15-8-12(3)7-13(4)9-15)22(10-14-5-6-14)20(25)21-19(16)24/h7-9,11,14H,5-6,10H2,1-4H3,(H,21,24,25)",UCOAKFIVSAVHLC-UHFFFAOYSA-N
DB14889,1234356-69-4,Derazantinib,investigational,,,,,,,,,CHEMBL4297187,,DERAZANTINIB,,46834118,COCCNCCC1=CC(NC2=NC=C3C[C@@H](C4=CC=CC=C4F)C4=CC=CC=C4C3=N2)=CC=C1,"InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1",KPJDVVCDVBFRMU-AREMUKBSSA-N
DB14890,866399-87-3,Obicetrapib,investigational,,,,,,,,ZINC000161884690,CHEMBL3785197,,OBICETRAPIB,,11498596,CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C2=NC=C(OCCCC(O)=O)C=N2)C2=C1C=CC(=C2)C(F)(F)F,"InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1",NRWORBQAOQVYBJ-GJZUVCINSA-N
DB14891,1628814-88-9,Vobarilizumab,investigational,,,,,,,,,,,,,,,,
DB14892,1935694-88-4,Spartalizumab,investigational,,,,,,,,,,,,,,,,
DB14894,1918143-53-9,Galicaftor,investigational,,,,,,,,,CHEMBL4101487,,ABBV-2222,,121301049,OC(=O)C1=CC=C(C=C1)[C@H]1C[C@@H](NC(=O)C2(CC2)C2=CC3=C(OC(F)(F)O3)C=C2)C2=C(O1)C=C(OC(F)F)C=C2,"InChI=1S/C28H21F4NO7/c29-26(30)37-17-6-7-18-19(13-21(38-22(18)12-17)14-1-3-15(4-2-14)24(34)35)33-25(36)27(9-10-27)16-5-8-20-23(11-16)40-28(31,32)39-20/h1-8,11-12,19,21,26H,9-10,13H2,(H,33,36)(H,34,35)/t19-,21-/m1/s1",QVDYQHXNAQHIKH-TZIWHRDSSA-N
DB14895,1190389-15-1,Vibegron,"['approved', 'investigational']","['30411311', '27965369', '32993398', '31991511', '30995798']",,D10433,2472254,,,5311,ZINC000084757336,CHEMBL2107826,50146154,VIBEGRON,142418,44472635,[H][C@@]1(CC[C@@H](CC2=CC=C(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)C=C2)N1)[C@H](O)C1=CC=CC=C1,"InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1",DJXRIQMCROIRCZ-XOEOCAAJSA-N
DB14896,2097002-61-2,Selitrectinib,investigational,,,,,,,,,CHEMBL4297627,50507492,LOXO-195,,129103609,C[C@@H]1CCC2=C(C=C(F)C=N2)[C@H]2CCCN2C2=NC3=C(C=NN3C=C2)C(=O)N1,"InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1",OEBIHOVSAMBXIB-SJKOYZFVSA-N
DB14897,1312797-14-0,Parsatuzumab,investigational,,,,,,,,,,,,,,,,
DB14898,1174122-54-3,Retagliptin,investigational,,,,,,,,,CHEMBL4297435,,SP-2086,,44193830,COC(=O)C1=C2CN(CCN2C(=N1)C(F)(F)F)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F,"InChI=1S/C19H18F6N4O3/c1-32-17(31)16-14-8-28(2-3-29(14)18(27-16)19(23,24)25)15(30)6-10(26)4-9-5-12(21)13(22)7-11(9)20/h5,7,10H,2-4,6,8,26H2,1H3/t10-/m1/s1",WIIAMRXFUJLYEF-SNVBAGLBSA-N
DB14899,1643489-24-0,Tavapadon,investigational,,,,,,,,,CHEMBL3697617,160918,PF-06649751,,86764100,CN1C(=O)NC(=O)C(C)=C1C1=C(C)C=C(OC2=NC=CC=C2C(F)(F)F)C=C1,"InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)",AKQXQLUNFKDZBN-UHFFFAOYSA-N
DB14900,945992-47-2,ISO-1 F-18,investigational,,,,,,,,ZINC000101083658,CHEMBL227072,,,,16737780,COC1=C(OC)C=C2CN(CCCCNC(=O)C3=C(OCC[18F])C=CC(C)=C3)CCC2=C1,"InChI=1S/C25H33FN2O4/c1-18-6-7-22(32-13-9-26)21(14-18)25(29)27-10-4-5-11-28-12-8-19-15-23(30-2)24(31-3)16-20(19)17-28/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,27,29)/i26-1",QVRVXSZKCXFBTE-KPVNRNJOSA-N
DB14901,1639324-58-5,Inclisiran,"['approved', 'investigational']","['32766688', '31782112', '3621516', '30011788', '32749892', '30487231', '19342379']",,,,,,,,,,,,,,,
DB14902,942063-86-7,JHU-75528 C-11,investigational,,,,,,,,,CHEMBL476413,,,,11963742,[11CH3]OC1=CC=C(C=C1)C1=C(C#N)C(=NN1C1=CC=C(Cl)C=C1Cl)C(=O)NN1CCCCC1,"InChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)/i1-1",MCNQUWLLXZZZAC-BJUDXGSMSA-N
DB14903,912809-27-9,Rovafovir etalafenamide,investigational,,,,,,,,ZINC000034820804,,,,,44603336,CCOC(=O)[C@H](C)N[P@@](=O)(CO[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)C(F)=C1)OC1=CC=CC=C1,"InChI=1S/C21H24FN6O6P/c1-3-31-21(29)13(2)27-35(30,34-14-7-5-4-6-8-14)12-32-16-9-15(22)20(33-16)28-11-26-17-18(23)24-10-25-19(17)28/h4-11,13,16,20H,3,12H2,1-2H3,(H,27,30)(H2,23,24,25)/t13-,16-,20+,35+/m0/s1",OCJRRXHWPBXZSU-BJBBEUPESA-N
DB14904,1236699-92-5,Pimasertib,investigational,,,,,,QOA,,ZINC000038226009,CHEMBL2107832,50014412,MSC-1936369B,94793,44187362,OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1,"InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1",VIUAUNHCRHHYNE-JTQLQIEISA-N
DB14905,1448221-67-7,Emactuzumab,investigational,,,,,,,,,,,,,,,,
DB14906,1613589-09-5,Adafosbuvir,investigational,,,,,,,,,CHEMBL4129286,,ADAFOSBUVIR,,118596336,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(O)[C@@H]1O)OC1=CC=CC=C1,"InChI=1S/C22H29FN3O10P/c1-13(2)34-17(28)14(3)25-37(32,36-15-8-6-5-7-9-15)33-12-22(23)18(29)21(4,31)19(35-22)26-11-10-16(27)24-20(26)30/h5-11,13-14,18-19,29,31H,12H2,1-4H3,(H,25,32)(H,24,27,30)/t14-,18-,19+,21+,22+,37-/m0/s1",NIJYGVDQZBBONK-SEUXLIJBSA-N
DB14907,,Bevacizumab zirconium Zr-89,investigational,,,,,,,,,,,,,,,,
DB14908,1233953-61-1,Refanezumab,investigational,,,,,,,,,,,,,,,,
DB14909,868169-64-6,Imetelstat,investigational,,,,,,,,,,,,,155886088,CCCCCCCCCCCCCCCC(=O)NCC(O)COP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1N)N1C=NC2=C1N=CN=C2N)N1C=NC2=C1N=CN=C2N)N1C=CC(N)=NC1=O)N1C=NC2=C1N=CN=C2N)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=CN=C2N)N1C=C(C)C(=O)NC1=O)N1C=C(C)C(=O)NC1=O)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=CN=C2N)N1C=C(C)C(=O)NC1=O,"InChI=1S/C148H211N68O53P13S13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-97(218)160-34-69(217)38-255-282(242,295)256-51-95-74(25-102(261-95)207-37-68(4)136(221)191-148(207)229)195-274(234,287)249-45-89-78(29-106(264-89)212-61-175-115-124(155)165-56-170-129(115)212)199-277(237,290)252-48-92-81(32-109(267-92)215-64-178-118-132(215)183-143(158)187-139(118)224)202-280(240,293)254-50-94-82(33-110(269-94)216-65-179-119-133(216)184-144(159)188-140(119)225)203-281(241,294)253-49-93-79(30-107(268-93)213-62-176-116-130(213)181-141(156)185-137(116)222)200-278(238,291)246-42-86-72(23-100(260-86)205-35-66(2)134(219)189-146(205)227)193-272(232,285)245-41-85-73(24-101(259-85)206-36-67(3)135(220)190-147(206)228)194-273(233,286)248-44-88-77(28-105(263-88)211-60-174-114-123(154)164-55-169-128(114)211)198-276(236,289)251-47-91-80(31-108(266-91)214-63-177-117-131(214)182-142(157)186-138(117)223)201-279(239,292)250-46-90-76(27-104(265-90)210-59-173-113-122(153)163-54-168-127(113)210)197-275(235,288)244-40-84-71(22-99(258-84)204-20-19-96(150)180-145(204)226)192-271(231,284)247-43-87-75(26-103(262-87)209-58-172-112-121(152)162-53-167-126(112)209)196-270(230,283)243-39-83-70(149)21-98(257-83)208-57-171-111-120(151)161-52-166-125(111)208/h19-20,35-37,52-65,69-95,98-110,217H,5-18,21-34,38-51,149H2,1-4H3,(H,160,218)(H,242,295)(H2,150,180,226)(H2,151,161,166)(H2,152,162,167)(H2,153,163,168)(H2,154,164,169)(H2,155,165,170)(H,189,219,227)(H,190,220,228)(H,191,221,229)(H2,192,231,284)(H2,193,232,285)(H2,194,233,286)(H2,195,234,287)(H2,196,230,283)(H2,197,235,288)(H2,198,236,289)(H2,199,237,290)(H2,200,238,291)(H2,201,239,292)(H2,202,240,293)(H2,203,241,294)(H3,156,181,185,222)(H3,157,182,186,223)(H3,158,183,187,224)(H3,159,184,188,225)",LVZYXEALRXBLJZ-UHFFFAOYSA-N
DB14910,1884201-71-1,Mirikizumab,investigational,,,,,,,,,,,,,,,,
DB14911,1307293-62-4,Risuteganib,investigational,,,,,,,,,CHEMBL4297529,,ALG-1001,,130476723,C[C@@H](O)[C@H](NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N1CCC[C@H]1C(O)=O,"InChI=1S/C22H39N9O11S/c1-11(32)17(20(37)31-7-3-5-14(31)21(38)39)30-19(36)13(10-43(40,41)42)29-16(34)9-27-18(35)12(28-15(33)8-23)4-2-6-26-22(24)25/h11-14,17,32H,2-10,23H2,1H3,(H,27,35)(H,28,33)(H,29,34)(H,30,36)(H,38,39)(H4,24,25,26)(H,40,41,42)/t11-,12+,13+,14+,17+/m1/s1",MYZAXBZLEILEBR-RVFOSREFSA-N
DB14912,1620390-06-8,Pegvorhyaluronidase alfa,investigational,,,,,,,,,,,,,,,,
DB14913,241144-93-4,5-methyl-2'-fluoroarauracil F-18,investigational,,,,,,,,,CHEMBL4297338,,,,11065133,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2[18F])C(=O)NC1=O,"InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1/i11-1",GBBJCSTXCAQSSJ-MSYRQUNGSA-N
DB14914,1522051-90-6,Flortaucipir F-18,"['approved', 'investigational']","['28775201', '27660144', '29278274', '31172290', '23411393']",,,2372689,,,5396,,CHEMBL3545253,,,,70957463,[18F]C1=CC=C(C=N1)C1=CC=C2C(NC3=C2C=NC=C3)=C1,"InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1",GETAAWDSFUCLBS-SJPDSGJFSA-N
DB14915,1605326-11-1,CODA-001,investigational,,,,,,,,,,,,,,,,
DB14916,1448428-04-3,Selonsertib,investigational,,,,,,NJV,,ZINC000149387856,CHEMBL3916717,50212258,SELONSERTIB,,71245288,CC(C)N1C=NN=C1C1=CC=CC(NC(=O)C2=CC(N3C=NC(=C3)C3CC3)=C(C)C=C2F)=N1,"InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)",YIDDLAAKOYYGJG-UHFFFAOYSA-N
DB14917,1352226-88-0,Ceralasertib,investigational,,,,,,,,,,,,,121596701,C[C@@H]1COCCN1C1=NC(=NC(=C1)C1(CC1)[S@](C)(=N)=O)C1=CN=CC2=C1C=CN2,"InChI=1S/C20H24N6O2S/c1-13-12-28-8-7-26(13)18-9-17(20(4-5-20)29(2,21)27)24-19(25-18)15-10-22-11-16-14(15)3-6-23-16/h3,6,9-11,13,21,23H,4-5,7-8,12H2,1-2H3/t13-,29-/m1/s1",DTTJKLNXNZAVSM-JYCIKRDWSA-N
DB14918,1562338-42-4,Branaplam,investigational,,,,,,,,ZINC000146605125,CHEMBL4290141,50465914,LMI070,,135565042,CC1(C)CC(CC(C)(C)N1)OC1=NN=C(C=C1)C1=C(O)C=C(C=C1)C1=CNN=C1,"InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)",STWTUEAWRAIWJG-UHFFFAOYSA-N
DB14919,1584645-37-3,Rozanolixizumab,investigational,,,,,,,,,,,,,,,,
DB14920,479198-61-3,Iboctadekin,investigational,,,,,,,,,,,,,,,,
DB14921,1642288-47-8,Mavacamten,investigational,,,,,,,,,CHEMBL4297517,,MAVACAMTEN,,117761397,CC(C)N1C(=O)NC(N[C@@H](C)C2=CC=CC=C2)=CC1=O,"InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1",RLCLASQCAPXVLM-NSHDSACASA-N
DB14922,1858168-59-8,Tislelizumab,investigational,,,,,,,,,,,,,,,,
DB14923,185913-78-4,Satavaptan,investigational,,,,,,,,,CHEMBL4283439,50469545,,194402,,CCOC1=CC=C2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN3CCOCC3)C2=C1)S(=O)(=O)C1=CC=C(C=C1OC)C(=O)NC(C)(C)C,"InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)/t24-,33+",QKXJWFOKVQWEDZ-VCCCEUOBSA-N
DB14924,1792180-81-4,PF-06651600,investigational,,,,,,,,ZINC000526061581,CHEMBL4085457,,PF-06651600,,118115473,C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2,"InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1",CBRJPFGIXUFMTM-WDEREUQCSA-N
DB14925,911208-73-6,Tenofovir exalidex,investigational,,,,,,,,ZINC000042875215,CHEMBL515564,77092,TENOFOVIR EXALIDEX,,23628250,CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)CN1C=NC2=C1N=CN=C2N,"InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1",SCTJKHUUZLXJIP-RUZDIDTESA-N
DB14926,949885-73-8,Astuprotimut-R,investigational,,,,,,,,,,,,,,,,
DB14927,9037-22-3,Amylopectin,investigational,,,,1368128,,,,,,,,,,,,
DB14928,1831128-32-5,Lacnotuzumab,investigational,,,,,,,,,,,,,,,,
DB14929,868046-19-9,Elsulfavirine,investigational,,,,,,,,,CHEMBL4301163,,ELPIDA,,11527519,CCC(=O)NS(=O)(=O)C1=CC(Cl)=C(NC(=O)CC2=CC=C(Br)C(OC3=CC(=CC(Cl)=C3)C#N)=C2F)C=C1,"InChI=1S/C24H17BrCl2FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)",ULTDEARCBRNRGR-UHFFFAOYSA-N
DB14930,287114-80-1,Alovudine F-18,investigational,,,,,,,,ZINC000100658715,,,,,9878109,CC1=CN([C@H]2C[C@H]([18F])[C@@H](CO)O2)C(=O)NC1=O,"InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1/i11-1",UXCAQJAQSWSNPQ-ZIVQXEJRSA-N
DB14931,1848257-52-2,Cobomarsen,investigational,,,,,,,,,,,,,,CC1=CN(C2OC3(COP(O)(=S)OC4C5OCC4(COP(O)(=S)OC4CC(OC4COP(O)(=S)OC4CC(OC4COP(O)(=S)OC4C6OCC4(COP(O)(=S)OC4CC(OC4COP(O)(=S)OC4C7OCC4(CO)OC7N4C=C(C)C(N)=NC4=O)N4C=NC7=C4N=CN=C7N)OC6N4C=C(C)C(N)=NC4=O)N4C=NC6=C4N=C(N)NC6=O)N4C=NC6=C4N=CN=C6N)OC5N4C=C(C)C(=O)NC4=O)COC2C3OP(O)(=S)OCC2OC(CC2OP(O)(=S)OCC23COC(C(O2)N2C=NC4=C2N=C(N)NC4=O)C3OP(O)(=S)OCC2OC(CC2OP(O)(=S)OCC23COC(C(O2)N2C=NC4=C2N=CN=C4N)C3OP(O)(=S)OCC23COC(C(O2)N2C=C(C)C(=O)NC2=O)C3OP(O)(=S)OCC23COC(C(O2)N2C=C(C)C(=O)NC2=O)C3OP(O)(=S)OCC23COC(C2O)C(O3)N2C=NC3=C2N=CN=C3N)N2C=CC(N)=NC2=O)N2C=NC3=C2N=CN=C3N)C(=O)NC1=O,"InChI=1S/C148H177N52O77P13S13/c1-55-14-188(134(210)177-102(55)150)123-85-94(140(25-201,256-123)26-230-85)270-279(217,292)239-23-69-64(11-74(253-69)195-49-170-78-105(153)160-44-165-110(78)195)268-284(222,297)244-36-142-28-231-86(124(258-142)189-15-56(2)103(151)178-135(189)211)95(142)271-280(218,293)241-22-68-62(13-76(255-68)197-51-174-82-114(197)179-131(157)181-120(82)207)265-278(216,291)238-20-67-63(10-73(252-67)194-48-169-77-104(152)159-43-164-109(77)194)267-285(223,298)245-37-143-29-233-88(126(259-143)191-17-58(4)117(204)184-137(191)213)97(143)275-288(226,301)248-40-144-30-232-87(125(260-144)190-16-57(3)116(203)183-136(190)212)96(144)272-281(219,294)242-24-70-65(12-75(254-70)196-50-171-79-106(154)161-45-166-111(79)196)269-286(224,299)246-38-147-33-237-92(130(264-147)200-54-175-83-115(200)180-132(158)182-121(83)208)100(147)273-282(220,295)240-21-66-61(9-72(251-66)187-8-7-71(149)176-133(187)209)266-283(221,296)247-39-148-34-236-91(129(263-148)199-53-173-81-108(156)163-47-168-113(81)199)101(148)277-290(228,303)250-42-146-32-235-90(128(262-146)193-19-60(6)119(206)186-139(193)215)99(146)276-289(227,302)249-41-145-31-234-89(127(261-145)192-18-59(5)118(205)185-138(192)214)98(145)274-287(225,300)243-35-141-27-229-84(93(141)202)122(257-141)198-52-172-80-107(155)162-46-167-112(80)198/h7-8,14-19,43-54,61-70,72-76,84-101,122-130,201-202H,9-13,20-42H2,1-6H3,(H,216,291)(H,217,292)(H,218,293)(H,219,294)(H,220,295)(H,221,296)(H,222,297)(H,223,298)(H,224,299)(H,225,300)(H,226,301)(H,227,302)(H,228,303)(H2,149,176,209)(H2,150,177,210)(H2,151,178,211)(H2,152,159,164)(H2,153,160,165)(H2,154,161,166)(H2,155,162,167)(H2,156,163,168)(H,183,203,212)(H,184,204,213)(H,185,205,214)(H,186,206,215)(H3,157,179,181,207)(H3,158,180,182,208)",NNUHKSNTEOVPHV-UHFFFAOYSA-N
DB14932,204200-47-5,Coleneuramide,investigational,,,,,,,,ZINC000085540178,CHEMBL2105634,,COLENEURAMIDE,,46174145,CO[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(=O)N[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1,"InChI=1S/C39H68N2O8/c1-22(2)9-8-10-23(3)28-13-14-29-27-12-11-25-19-26(15-17-37(25,5)30(27)16-18-38(28,29)6)41-36(47)39(48-7)20-31(44)33(40-24(4)43)35(49-39)34(46)32(45)21-42/h22-23,25-35,42,44-46H,8-21H2,1-7H3,(H,40,43)(H,41,47)/t23-,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,37+,38-,39-/m1/s1",CHMRTBYTCBDIRG-JQZMMWJVSA-N
DB14933,1341-23-7,Nicotinamide riboside,investigational,,,,,,NNR,,ZINC000004096036,CHEMBL438497,,NICOTINAMIDE RIBOSIDE,15927,439924,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1",JLEBZPBDRKPWTD-TURQNECASA-O
DB14934,2100830-77-9,GDC-0927,investigational,,,,,,OGJ,,,CHEMBL4447340,368199,,,87055263,CC1=C([C@@H](OC2=CC=C(O)C=C12)C1=CC=C(OCCN2CC(CF)C2)C=C1)C1=CC(O)=CC=C1,"InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1",KJAAPZIFCQQQKX-NDEPHWFRSA-N
DB14935,1268454-23-4,Serabelisib,investigational,,,,,,,,ZINC000146965425,CHEMBL3935857,119531,MLN1117,,70798655,NC1=NC2=CC(=CC=C2O1)C1=CN2C(C=C1)=NC=C2C(=O)N1CCOCC1,"InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)",BLGWHBSBBJNKJO-UHFFFAOYSA-N
DB14936,84-81-1,Menaquinone 6,investigational,,,,42781,,,,ZINC000072131515,,,,,5283547,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+",PFRQBZFETXBLTP-RCIYGOBDSA-N
DB14937,1544739-75-4,MK-8666,investigational,,,,,,MK6,,,CHEMBL4297471,,MK-8666,,73051869,CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC(COC2=CC3=C(C=N2)[C@H]2[C@@H](C3)[C@@H]2C(O)=O)=CC=C1,"InChI=1S/C29H31NO6S/c1-17-10-22(35-8-5-9-37(3,33)34)11-18(2)26(17)20-7-4-6-19(12-20)16-36-25-14-21-13-23-27(24(21)15-30-25)28(23)29(31)32/h4,6-7,10-12,14-15,23,27-28H,5,8-9,13,16H2,1-3H3,(H,31,32)/t23-,27-,28+/m1/s1",CODQKEMYZZKQAE-QPVYNBJUSA-N
DB14938,91503-79-6,Flurbiprofen axetil,investigational,,,,,,,1220,,CHEMBL3183067,,,31627,3395,CC(OC(C)=O)OC(=O)C(C)C1=CC(F)=C(C=C1)C1=CC=CC=C1,"InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3",ALIVXCSEERJYHU-UHFFFAOYSA-N
DB14939,664334-36-5,Motixafortide,investigational,,,,,,,,,,,,,,NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CC1=CC=C2C=CC=CC2=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1=CC=C(F)C=C1,"InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1",JJVZSYKFCOBILL-MKMRYRNGSA-N
DB14940,110954-19-3,Aspartyl-alanyl-diketopiperazine,investigational,,,,,,,,ZINC000033961611,CHEMBL4297349,,AMPION,,9815453,C[C@@H]1NC(=O)[C@H](CC(O)=O)NC1=O,"InChI=1S/C7H10N2O4/c1-3-6(12)9-4(2-5(10)11)7(13)8-3/h3-4H,2H2,1H3,(H,8,13)(H,9,12)(H,10,11)/t3-,4-/m0/s1",RVLCUCVJZVRNDC-IMJSIDKUSA-N
DB14941,1202400-18-7,BMS-817399,investigational,,,,,,,,,CHEMBL3334824,50056504,BMS-817399,,44537841,CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(C2=CC=C(Cl)C=C2)C(C)(C)C1,"InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1",GTDPZONCGOCXOD-JPYJTQIMSA-N
DB14942,1478711-48-6,BMS-986141,investigational,,,,,,,,ZINC000205663568,CHEMBL3716552,176003,BMS-986141,,72188743,COC1=NN2C=C(N=C2S1)C1=CC2=C(O1)C=C(OC)C=C2OCC1=CSC(=N1)C1=CC=C(C=C1)C(=O)N(C)C,"InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3",KEEBLYWBELVGPQ-UHFFFAOYSA-N
DB14943,1210608-43-7,LGH-447,investigational,,,,,,5H7,,ZINC000116907270,CHEMBL3651966,106870,,,44814409,C[C@@H]1C[C@H](N)C[C@@H](C1)C1=C(NC(=O)C2=NC(=C(F)C=C2)C2=C(F)C=CC=C2F)C=NC=C1,"InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1",VRQXRVAKPDCRCI-ZNMIVQPWSA-N
DB14944,1636938-13-0,Tarloxotinib,investigational,,,,,,,,,,,,,,CN1C=NC(=C1C[N+](C)(C)C\C=C\C(=O)NC1=NC=C2N=CN=C(NC3=CC(Br)=C(Cl)C=C3)C2=C1)[N+]([O-])=O,"InChI=1S/C24H23BrClN9O3/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36)/p+1/b5-4+",MUJMYVFVAWFUJL-SNAWJCMRSA-O
DB14945,956903-29-0,Florbenazine F-18,investigational,,,,,,,,ZINC000100529342,CHEMBL1780010,,,,17755050,COC1=C(OCCC[18F])C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1,"InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1/i22-1",GNKGXQHHUUEYQV-WTHAECTESA-N
DB14946,1613373-33-3,PCO-371,investigational,,,,,,,,,CHEMBL3976807,64562,PCO371,,76283707,CC1=CC(=CC(C)=C1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)C1=CC=C(OC(F)(F)F)C=C1)N1C(=O)NC(=O)C1(C)C,"InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)",LDZJFVOUPUFOHX-UHFFFAOYSA-N
DB14947,1401965-15-8,Bermekimab,investigational,,L01XC29,,,,,,,,,,,,,,
DB14948,1257213-50-5,BMS-986020,investigational,,,,,,,,ZINC000113624125,CHEMBL4297270,,BMS-986020,,49792850,C[C@@H](OC(=O)NC1=C(ON=C1C)C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(O)=O)C1=CC=CC=C1,"InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1",GQBRZBHEPUQRPL-LJQANCHMSA-N
DB14949,1166827-44-6,AZD-7687,investigational,,,,,,,,ZINC000101581684,CHEMBL2178953,50399710,,,,CC1=NC(C)=C(N=C1C1=CC=C(C=C1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O,"InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-",YXFNPRHZMOGREC-SHTZXODSSA-N
DB14950,1217338-97-0,BMS-929075,investigational,,,,,,8XJ,,,CHEMBL4093031,50239248,BMS-929075,,59275404,CNC(=O)C1=C(OC2=C1C(F)=C(C=C2)C1=C(C)C=CC(=C1)C(=O)NC1(CC1)C1=NC=CC=N1)C1=CC=C(F)C=C1,"InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)",LZAUGCMVNLZVJV-UHFFFAOYSA-N
DB14951,848779-32-8,Etirinotecan pegol,investigational,,L01XX56,,,,,,,,,,,,,,
DB14952,946415-13-0,Pamrevlumab,investigational,,,,,,,,,,,,,,,,
DB14953,946062-05-1,Firtecan pegol,investigational,,,,,,,,,,,,,,,,
DB14954,,PIK3CA,investigational,,,,,,,,,,,,,,,,
DB14955,1228111-63-4,PF-04634817,investigational,,,,,,,,ZINC000068207369,,,PF-04634817,,46198579,CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C1=NC=NC(=C1)C(F)(F)F,"InChI=1S/C25H36F3N5O3/c1-15(2)24(6-4-16(10-24)31-19-5-7-36-13-20(19)35-3)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22/h9,14-20,31H,4-8,10-13H2,1-3H3/t16-,17+,18+,19+,20-,24+/m1/s1",MCRWZBYTLVCCJJ-DKALBXGISA-N
DB14956,863919-85-1,Davalintide,investigational,,,,,,,,,,,,,,,,
DB14957,1019112-29-8,MK-3577,investigational,,,,,,,,ZINC000073389642,CHEMBL1933350,50360584,MK-3577,,46240797,CCC[C@@H]([C@@H](C1=CNC2=C1C=C(C)C=C2F)C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C(=O)NCCC(O)=O,"InChI=1S/C30H30ClFN2O3/c1-3-4-23(19-5-7-21(8-6-19)30(37)33-14-13-27(35)36)28(20-9-11-22(31)12-10-20)25-17-34-29-24(25)15-18(2)16-26(29)32/h5-12,15-17,23,28,34H,3-4,13-14H2,1-2H3,(H,33,37)(H,35,36)/t23-,28+/m1/s1",FYRJJCYFYLLOSC-LXFBAYGMSA-N
DB14958,1622140-49-1,Selicrelumab,investigational,,,,,,,,,,,,,,,,
DB14959,1422268-07-2,Opicinumab,investigational,,,,,,,,,,,,,,,,
DB14960,1663481-09-1,Somatrogon,approved,"['26421979', '31939485', '20020365']",,,,,,,,,,,,,,,
DB14961,1452539-75-1,Seltorexant,investigational,,,,,,,,,CHEMBL3586436,50092814,,,86278359,CC1=CC(C)=NC(=N1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C1=C(F)C=CC=C1N1N=CC=N1,"InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+",SQOCEMCKYDVLMM-IYBDPMFKSA-N
DB14962,1826843-81-5,Trastuzumab deruxtecan,"['approved', 'investigational']","['31047803', '30351177', '28367126', '31563805', '31825192']",,,2267574,,,,,,,,,,,,
DB14963,37220-17-0,Konjac mannan,investigational,,,,11454,,,,,,,,,,,,
DB14964,1188275-92-4,Narnatumab,investigational,,,,,,,,,,,,,,,,
DB14965,1628717-55-4,CTT-1057,investigational,,,,,,T57,,ZINC000098209433,CHEMBL3427435,50088185,CTT1057,,73386645,OC(=O)CC[C@H](NP(O)(=O)OCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)C1=CC=C(F)C=C1)C(O)=O)C(O)=O)C(O)=O,"InChI=1S/C28H40FN4O14P/c29-18-9-7-17(8-10-18)25(38)30-15-3-1-2-6-22(34)32-20(27(41)42)11-13-23(35)31-19(26(39)40)5-4-16-47-48(45,46)33-21(28(43)44)12-14-24(36)37/h7-10,19-21H,1-6,11-16H2,(H,30,38)(H,31,35)(H,32,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,33,45,46)/t19-,20-,21-/m0/s1",IZLOSIXADNUSCM-ACRUOGEOSA-N
DB14966,1401090-53-6,Venglustat,investigational,,,,,,,,ZINC000202143443,CHEMBL4297611,,VENGLUSTAT,,60199242,CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)C1=CSC(=N1)C1=CC=C(F)C=C1,"InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1",YFHRCLAKZBDRHN-MRXNPFEDSA-N
DB14967,1350624-75-7,Margetuximab,"['approved', 'investigational']","['22129105', '32368385', '31847708', '28119295']",,,2473850,,,,,,,,,,,,
DB14968,,Bacillus calmette-guerin substrain tokyo 172-1 live antigen,investigational,,,,,,,,,,,,,,,,
DB14969,938067-78-8,GTX-758,investigational,,,,,,,,ZINC000096173894,CHEMBL3545017,102986,GTX-758,,46861578,OC1=CC=C(C=C1)N(C(=O)C1=CC=C(O)C(F)=C1)C1=CC=C(F)C=C1,"InChI=1S/C19H13F2NO3/c20-13-2-4-14(5-3-13)22(15-6-8-16(23)9-7-15)19(25)12-1-10-18(24)17(21)11-12/h1-11,23-24H",FBCQEUMZZNVQKD-UHFFFAOYSA-N
DB14970,1637771-14-2,Alobresib,investigational,,,,,,,,,CHEMBL3982690,249306,ALOBRESIB,,86281210,CC1=C(C(C)=NO1)C1=CC(=C2N=C(NC2=C1)C1CC1)C(O)(C1=CC=CC=N1)C1=NC=CC=C1,"InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)",CMSUJGUHYXQSOK-UHFFFAOYSA-N
DB14971,127985-21-1,Iomazenil,investigational,,,,,,,,ZINC000000537863,CHEMBL2110679,,IOMAZENIL,,10251042,CCOC(=O)C1=C2CN(C)C(=O)C3=C(I)C=CC=C3N2C=N1,"InChI=1S/C15H14IN3O3/c1-3-22-15(21)13-11-7-18(2)14(20)12-9(16)5-4-6-10(12)19(11)8-17-13/h4-6,8H,3,7H2,1-2H3",FRIZVHMAECRUBR-UHFFFAOYSA-N
DB14972,10265-92-6,Methamidophos,investigational,,,,,,,,,CHEMBL504888,50027341,,38721,4096,COP(N)(=O)SC,"InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)",NNKVPIKMPCQWCG-UHFFFAOYSA-N
DB14973,1622902-68-4,Abrocitinib,investigational,,,,,,D7D,,,CHEMBL3655081,,ABROCITINIB,,,CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1,"InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+",IUEWXNHSKRWHDY-PHIMTYICSA-N
DB14974,1629869-44-8,Pimodivir,investigational,,,,,,,,ZINC000098208077,CHEMBL3318007,50050712,JNJ63623872,,67286591,OC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC1=NC(=NC=C1F)C1=CNC2=NC=C(F)C=C12,"InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1",JGPXDNKSIXAZEQ-SBBZOCNPSA-N
DB14975,1446321-46-5,Voxelotor,"['approved', 'investigational']","['30499731', '30655275', '30873300', '31199090', '30743314']",,,2265678,,,5356,ZINC000145969085,CHEMBL4101807,50235297,GBT440,,71602803,CC(C)N1N=CC=C1C1=C(COC2=CC=CC(O)=C2C=O)C=CC=N1,"InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3",FWCVZAQENIZVMY-UHFFFAOYSA-N
DB14976,1496510-51-0,Relacorilant,investigational,,,,,,,,ZINC000141949519,CHEMBL4068611,50265673,CORT125134,,73051463,CN1C=C(C=N1)S(=O)(=O)N1CCC2=CC3=C(C[C@@]2(C1)C(=O)C1=CC(=CC=N1)C(F)(F)F)C=NN3C1=CC=C(F)C=C1,"InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1",WANIDIGFXJFFEL-SANMLTNESA-N
DB14977,1294000-61-5,Padsevonil,investigational,,,,,,,,,CHEMBL4297521,,UCB0942,,52911611,COCC1=NN2C(CN3C[C@@H](CC(F)(F)Cl)CC3=O)=C(N=C2S1)C(F)(F)F,"InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1",DCXFIOLWWRXEQH-SSDOTTSWSA-N
DB14978,1258980-67-4,MIP-1095 I-131,investigational,,,,,,,,,,,,,124220556,OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NC1=CC=C([131I])C=C1)C(O)=O)C(O)=O,"InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1/i20+4",LFEGKCKGGNXWDV-LUOJOMRDSA-N
DB14979,1629052-58-9,Martinostat,investigational,,,,,,,,,,323709,,,90479372,CN(CC1=CC=C(\C=C\C(=O)NO)C=C1)CC12CC3CC(CC(C3)C1)C2,"InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+",WNIDBXBLQFPAJA-VOTSOKGWSA-N
DB14980,1173900-33-8,AZD-6482,investigational,,,,,,A82,,ZINC000038628584,CHEMBL2165191,50395821,AZD-6482,91359,44137675,C[C@@H](NC1=CC=CC=C1C(O)=O)C1=CC(C)=CN2C(=O)C=C(N=C12)N1CCOCC1,"InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1",IRTDIKMSKMREGO-OAHLLOKOSA-N
DB14981,83-86-3,Phytic acid,investigational,,,,8302,,IHP,3465,ZINC000169289809,CHEMBL1233511,,SODIUM PHYTATE,17401,,OP(O)(=O)O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,"InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-",IMQLKJBTEOYOSI-GPIVLXJGSA-N
DB14982,1313881-70-7,Miransertib,investigational,,,,,,6S1,,ZINC000072315647,CHEMBL4297188,,MIRANSERTIB,,53262401,NC1=NC=CC=C1C1=NC2=CC=C(N=C2N1C1=CC=C(C=C1)C1(N)CCC1)C1=CC=CC=C1,"InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)",HNFMVVHMKGFCMB-UHFFFAOYSA-N
DB14983,1620330-72-4,Cimlanod,investigational,,,,,,,,ZINC000145617689,CHEMBL4297915,,BMS-986231,,76685198,CC1=CC=C(O1)S(=O)(=O)NO,"InChI=1S/C5H7NO4S/c1-4-2-3-5(10-4)11(8,9)6-7/h2-3,6-7H,1H3",LIXKIXWSKOENAB-UHFFFAOYSA-N
DB14984,1422958-19-7,Casimersen,"['approved', 'investigational']","['31789220', '30171533', '30285540', '27854228', '26022172', '31147635']",,,2480096,,,,,,,,,,,,
DB14985,1262132-81-9,Enarodustat,investigational,,,,,,,5427,,CHEMBL4297619,50286071,JTZ-951,,,OC(=O)CNC(=O)C1=C(O)C=C(CCC2=CC=CC=C2)N2N=CN=C12,"InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)",NALAUGMPMIVAOW-UHFFFAOYSA-N
DB14986,1923833-60-6,Linrodostat,investigational,,,,,,H7P,,,CHEMBL4161733,50285416,,,,[H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C=C1,"InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1",KRTIYQIPSAGSBP-ZACQAIPSSA-N
DB14987,937782-05-3,Difamilast,investigational,,,,,,,,,CHEMBL3989968,389126,OPA-15406,,57855696,CCOC1=CC=CC=C1C(=O)NCC1=COC(=N1)C1=CC=C(OC(F)F)C(OC(C)C)=C1,"InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)",VFBILHPIHUPBPZ-UHFFFAOYSA-N
DB14988,1186210-24-1,Dalantercept,investigational,,,,,,,,,,,,,,,,
DB14989,1532533-67-7,Umbralisib,"['approved', 'investigational']","['30936084', '31814159', '25024054', '29475723', '31558467']",,,2478439,,,5441,ZINC000141831516,CHEMBL3948730,184556,RP5264,,72950888,CC(C)OC1=C(F)C=C(C=C1)C1=NN([C@@H](C)C2=C(C3=CC=CC(F)=C3)C(=O)C3=CC(F)=CC=C3O2)C2=C1C(N)=NC=N2,"InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1",IUVCFHHAEHNCFT-INIZCTEOSA-N
DB14990,1378549-07-5,Bazlitoran,investigational,,,,,,,,,,,,,,,,
DB14991,875125-19-2,Nomacopan,investigational,,,,,,,,,,,,,,,,
DB14992,1644392-61-9,Pegunigalsidase alfa,investigational,,,,,,,,,,,,,,,,
DB14993,1269662-73-8,Pyrotinib,investigational,,,,,,,,ZINC000068250550,CHEMBL3647420,139991,,,51039030,CCOC1=C(NC(=O)\C=C\[C@H]2CCCN2C)C=C2C(=C1)N=CC(C#N)=C2NC1=CC=C(OCC2=NC=CC=C2)C(Cl)=C1,"InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1",SADXACCFNXBCFY-IYNHSRRRSA-N
DB14995,1807454-59-6,NP-G2-044,investigational,,,,,,,,,CHEMBL4297473,,NP-G2-044,,91844684,CC1=C(C=CO1)C(=O)NC1=NN(CC2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C12,"InChI=1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)",XLLRLAABUFOJPC-UHFFFAOYSA-N
DB14996,2049079-64-1,Sutimlimab,investigational,,,,,,,,,,,,,,,,
DB14997,1202526-59-7,Pateclizumab,investigational,,,,,,,,,,,,,,,,
DB14998,1268881-20-4,Olorinab,investigational,,,,,,,,,CHEMBL4175981,50285941,APD371,,60164925,CC(C)(C)[C@@H](CO)NC(=O)C1=NN(C2=C1C[C@@H]1C[C@H]21)C1=C[N+]([O-])=CC=N1,"InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1",ACSQLTBPYZSGBA-GMXVVIOVSA-N
DB14999,74899-71-1,Human interferon beta,"['approved', 'investigational']","['17562848', '26419922', '28588671', '27097824', '25356432', '23552422', '16204396']",,,4381,,,,,,,,,,,,
DB15000,1352413-49-0,Dianexin,investigational,,,,,,,,,,,,,,,,
DB15001,1384099-30-2,Eflapegrastim,investigational,,,,,,,,,,,,,,,,
DB15002,1499251-18-1,Fitusiran,investigational,,,,,,,,,,,,,,,,
DB15003,1883299-62-4,PF-06700841,investigational,,,,,,G4J,,ZINC000526061580,CHEMBL4297477,329924,PF-06700841,,118878093,CN1C=C(NC2=NC=CC(=N2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)C=N1,"InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1",BUWBRTXGQRBBHG-MJBXVCDLSA-N
DB15004,,MS-1819,investigational,,,,,,,,,,,,,,,,
DB15005,2055732-84-6,Viltolarsen,"['approved', 'investigational']","['30388618', '32453377', '32519222', '30285540', '26022172', '31147635', '29669851']",,,2389840,,,,,,,,,,,,
DB15006,101463-69-8,Flufenoxuron,investigational,,,,,,,,ZINC000002564891,CHEMBL2287680,,,39382,91766,FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1,"InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)",RYLHNOVXKPXDIP-UHFFFAOYSA-N
DB15007,,Sevuparin,investigational,,,,,,,,,,,,,,,,
DB15008,1469735-88-3,GO-203-2C,investigational,,,,,,,,,CHEMBL4297466,,GO-203-2C,,145994614,[H][C@](CCCNC(N)=N)(N=C(C)O)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]1([H])CSSC[C@@]([H])(N=C(O)[C@@]([H])(CCC(O)=N)N=C1O)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCCN)C(O)=N[C@]([H])(CC(O)=N)C(O)=O,"InChI=1S/C89H170N52O20S2/c1-44(142)126-45(16-4-30-115-79(93)94)63(145)128-47(17-5-31-116-80(95)96)65(147)129-49(19-7-33-118-82(99)100)66(148)130-50(20-8-34-119-83(101)102)67(149)131-51(21-9-35-120-84(103)104)68(150)132-52(22-10-36-121-85(105)106)69(151)133-53(23-11-37-122-86(107)108)70(152)134-54(24-12-38-123-87(109)110)71(153)136-56(26-14-40-125-89(113)114)74(156)140-60-43-163-162-42-59(141-75(157)57(138-77(60)159)27-28-61(91)143)76(158)137-55(25-13-39-124-88(111)112)72(154)135-48(18-6-32-117-81(97)98)64(146)127-46(15-2-3-29-90)73(155)139-58(78(160)161)41-62(92)144/h45-60H,2-43,90H2,1H3,(H2,91,143)(H2,92,144)(H,126,142)(H,127,146)(H,128,145)(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,154)(H,136,153)(H,137,158)(H,138,159)(H,139,155)(H,140,156)(H,141,157)(H,160,161)(H4,93,94,115)(H4,95,96,116)(H4,97,98,117)(H4,99,100,118)(H4,101,102,119)(H4,103,104,120)(H4,105,106,121)(H4,107,108,122)(H4,109,110,123)(H4,111,112,124)(H4,113,114,125)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m1/s1",MDQMFOHHSFMREL-YIYMUJAPSA-N
DB15009,1245603-92-2,PF-04937319,investigational,,,,,,S41,,ZINC000068246554,CHEMBL2165615,50394684,PF-04937319,,46916694,CN(C)C(=O)C1=NC=C(OC2=CC(=CC3=C2C=C(C)O3)C(=O)NC2=NC=C(C)N=C2)C=N1,"InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)",MASKQITXHVYVFL-UHFFFAOYSA-N
DB15010,1204317-86-1,Edasalonexent,investigational,,,,,,,,ZINC000117210587,CHEMBL3786673,,EDASALONEXENT,,44626120,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCNC(=O)C1=C(O)C=CC=C1,"InChI=1S/C31H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(35)32-26-27-33-31(36)28-23-21-22-24-29(28)34/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,34H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,35)(H,33,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",JQLBBYLGWHUHRW-KUBAVDMBSA-N
DB15011,1346623-17-3,Avacopan,"['approved', 'investigational']","['31734405', '29867214', '24179165', '31631015', '19073822', '30542206', '17200182', '27768695']",,,2572100,,EFD,,,CHEMBL3989871,,CCX168,,49841217,CC1=CC=C(NC(=O)[C@H]2CCCN([C@H]2C2=CC=C(NC3CCCC3)C=C2)C(=O)C2=C(F)C=CC=C2C)C=C1C(F)(F)F,"InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1",PUKBOVABABRILL-YZNIXAGQSA-N
DB15012,211735-76-1,Farampator,investigational,,,,,,,,ZINC000000007461,CHEMBL1276138,,ORG-24448,,4118151,O=C(N1CCCCC1)C1=CC2=NON=C2C=C1,"InChI=1S/C12H13N3O2/c16-12(15-6-2-1-3-7-15)9-4-5-10-11(8-9)14-17-13-10/h4-5,8H,1-3,6-7H2",XFVRBYKKGGDPAJ-UHFFFAOYSA-N
DB15013,1450833-55-2,TAK-243,investigational,,,,,,61T,,,CHEMBL4297405,329836,MLN7243,,71715374,NS(=O)(=O)OC[C@H]1C[C@@H](NC2=CC=NC3=CC(=NN23)C2=CC=CC(SC(F)(F)F)=C2)[C@H](O)[C@@H]1O,"InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1",KJDAGXLMHXUAGV-DGWLBADLSA-N
DB15014,1800381-36-5,Gremubamab,investigational,,,,,,,,,,,,,,,,
DB15015,,Recombinant CD40-ligand,investigational,,,,,,,,,,,,,,,,
DB15016,14967-68-1,Palladium Pd-103,investigational,,,,,,,,,,,,,9793711,[103Pd],InChI=1S/Pd/i1-3,KDLHZDBZIXYQEI-OIOBTWANSA-N
DB15017,1353485-38-7,Enoblituzumab,investigational,,,,,,,,,,,,,,,,
DB15018,207623-20-9,Agatolimod,investigational,,,,,,,,,,,,,,,,
DB15019,1443994-46-4,Mongersen,investigational,,,,,,,,,,,,,,,,
DB15020,246527-99-1,Mureletecan,investigational,,,,,,,,,,,,,,,,
DB15021,146062-44-4,Leriglitazone,investigational,,,,,,,,,CHEMBL1267,50530214,MIN-102,82937,4147757,CC(O)C1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,"InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)",OXVFDZYQLGRLCD-UHFFFAOYSA-N
DB15022,1108170-71-3,Apomab,investigational,,,,,,,,,,,,,,,,
DB15023,1008116-73-1,BMS-791826,investigational,,,,,,,,,CHEMBL4296682,,,,53359074,CCN(C)C(=O)C1=CC=C(C=C1F)C1=NC2=C(C=C1)[C@H](C1=CC=CC=C1O2)C(C)(C)C(=O)NC1=NN=CS1,"InChI=1S/C28H26FN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m0/s1",DZBKAUMYTFPJIS-QHCPKHFHSA-N
DB15024,945966-46-1,Apararenone,investigational,,,,,,,,ZINC000095573844,CHEMBL2181929,50004519,,,24744336,CC1(C)OC2=CC(NS(C)(=O)=O)=CC=C2N(C2=CC=C(F)C=C2)C1=O,"InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3",AZNHWXAFPBYFGH-UHFFFAOYSA-N
DB15025,1011710-99-8,Girentuximab I-124,investigational,,,,,,,,,,,,,,,,
DB15026,875685-46-4,CXA-10,investigational,,,,,,,,ZINC000040331256,CHEMBL561371,50295049,CXA-10,86285,24836820,CCCCCCCC\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O,"InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+",WRADPCFZZWXOTI-BMRADRMJSA-N
DB15027,943057-12-3,Adriforant,investigational,,,,,,,,ZINC000073196039,CHEMBL1915540,50356884,ZPL-389,,24745335,CN[C@@H]1CCN(C1)C1=CC(NCC2CC2)=NC(N)=N1,"InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1",ISBHYKVAFKTATD-SNVBAGLBSA-N
DB15028,1207253-08-4,MK-1064,investigational,,,,,,,,ZINC000068201066,CHEMBL3338866,50028059,MK-1064,,44633765,COC1=CC=C(CNC(=O)C2=CC(=CN=C2C2=NC=CC=C2)C2=CN=CC(Cl)=C2)N=C1OC,"InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)",CKTWQGHVNRYNCM-UHFFFAOYSA-N
DB15029,1627494-13-6,AZD-8186,investigational,,,,,,,,ZINC000116734639,CHEMBL3408248,50070322,AZD 8186,,52913813,C[C@@H](NC1=CC(F)=CC(F)=C1)C1=CC(=CC2=C1OC(=CC2=O)N1CCOCC1)C(=O)N(C)C,"InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1",LMJFJIDLEAWOQJ-CQSZACIVSA-N
DB15030,236391-66-5,GTI-2040,investigational,,,,,,,,,,,,,,,,
DB15031,1505484-82-1,Nemorexant,investigational,,,,,,NS2,,,CHEMBL4297590,334973,DARIDOREXANT,,91801202,COC1=CC(C(=O)N2CCC[C@@]2(C)C2=NC3=C(N2)C=CC(Cl)=C3C)=C(C=C1)N1N=CC=N1,"InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1",NBGABHGMJVIVBW-QHCPKHFHSA-N
DB15032,1690307-05-1,Obexelimab,investigational,,,,,,,,,,,,,,,,
DB15033,1415379-56-4,Flortaucipir,investigational,,,,2571858,,,,ZINC000148048492,CHEMBL3546271,,LY-3191748,,71059746,FC1=CC=C(C=N1)C1=CC=C2C(NC3=C2C=NC=C3)=C1,"InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H",GETAAWDSFUCLBS-UHFFFAOYSA-N
DB15034,1198780-38-9,PRI-724,investigational,,,,,,,,,,,,,71509318,C[C@H]1[C@H]2N([C@@H](CC3=CC=C(OP(O)(O)=O)C=C3)C(=O)N1CC1=CC=CC3=C1N=CC=C3)C(=O)CN(C)N2C(=O)NCC1=CC=CC=C1,"InChI=1S/C33H35N6O7P/c1-22-31-38(29(40)21-36(2)39(31)33(42)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(16-14-23)46-47(43,44)45)32(41)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31H,18-21H2,1-2H3,(H,35,42)(H2,43,44,45)/t22-,28-,31-/m0/s1",VHOZWHQPEJGPCC-AZXNYEMZSA-N
DB15035,1691249-45-2,Zanubrutinib,"['approved', 'investigational']","['30679329', '31420873', '30109020', '31381333', '29455639', '31340982']",,,2262435,,,5353,ZINC000584641430,CHEMBL3936761,250082,BGB-3111,,135565884,NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1",RNOAOAWBMHREKO-QFIPXVFZSA-N
DB15036,1123837-84-2,Sitravatinib,investigational,,,,,,,,ZINC000164334830,CHEMBL3989926,50467574,SITRAVATINIB,,25212148,COCCNCC1=CC=C(N=C1)C1=CC2=C(S1)C(OC1=C(F)C=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2,"InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)",WLAVZAAODLTUSW-UHFFFAOYSA-N
DB15037,26811-96-1,Poly(lactic acid),investigational,,,,,,,,,,,,,,,,
DB15038,86811-09-8,Litoxetine,investigational,,,,,,,,ZINC000000003647,CHEMBL471036,50278564,LITOXETINE,,65650,C(OC1CCNCC1)C1=CC=C2C=CC=CC2=C1,"InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2",MJJDYOLPMGIWND-UHFFFAOYSA-N
DB15039,1160521-50-5,ITI-214,investigational,,,,,,4QJ,,ZINC000142626599,CHEMBL3769414,50150119,LENRISPODUN,,42639643,CN1C2=N[C@@H]3CCC[C@@H]3N2C2=NN(CC3=CC=C(C=C3)C3=NC(F)=CC=C3)C(NC3=CC=CC=C3)=C2C1=O,"InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1",BBIPVJCGIASXJB-PKTZIBPZSA-N
DB15040,1207284-17-0,TP-271,investigational,,,,,,,,ZINC000068246927,CHEMBL2057236,,TP-271,,,[H][C@@]12CC3=C(F)C=C(NC(=O)[C@@H]4CCCN4C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,"InChI=1S/C27H31FN4O8/c1-31(2)19-12-8-10-7-11-13(28)9-14(30-26(39)15-5-4-6-32(15)3)20(33)17(11)21(34)16(10)23(36)27(12,40)24(37)18(22(19)35)25(29)38/h9-10,12,15,19,33,35-36,40H,4-8H2,1-3H3,(H2,29,38)(H,30,39)/t10-,12-,15-,19-,27-/m0/s1",IXMIZHVJXGKPJI-HMFHYXQTSA-N
DB15041,1196963-74-2,Florilglutamic acid F-18,investigational,,,,,,,,,,,,,44473425,N[C@@H](C[C@H](CCC[18F])C(O)=O)C(O)=O,"InChI=1S/C8H14FNO4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1/i9-1",MKDNDKMECWBLOF-XUCPOOORSA-N
DB15042,1635395-25-3,Tavolixizumab,investigational,,,,,,,,,,,,,,,,
DB15043,1924598-82-2,Toripalimab,investigational,,,,,,,,,,,,,,,,
DB15044,1422527-84-1,Tafasitamab,"['approved', 'investigational']","['28653357', '20608753', '31847708', '32052309']",,,2387334,,,,,,,,,,,,
DB15045,1391727-24-4,Ipafricept,investigational,,,,,,,,,,,,,,,,
DB15046,1292290-38-0,LY-2881835,investigational,,,,,,,,,CHEMBL3915620,50200369,,,51049992,CC#C[C@@H](CC(O)=O)C1=CC=C(OCC2=CC=C(CN3CCC4(CC3)C=CC3=C4C=CC=C3)C=C2)C=C1,"InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1",FHRWHNJJQGSCQC-LJAQVGFWSA-N
DB15047,1272353-82-8,BMS-919373,investigational,,,,,,,,ZINC000116369258,CHEMBL4094440,50239227,BMS-919373,,51030730,NS(=O)(=O)C1=CN=CC(=C1)C1=NC(NCC2=NC=CC=C2)=C2C(C=CC=C2C2=CC=CC=C2)=N1,"InChI=1S/C25H20N6O2S/c26-34(32,33)20-13-18(14-27-16-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-15-19-9-4-5-12-28-19/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31)",XGKULQQVQWCASY-UHFFFAOYSA-N
DB15048,1291094-73-9,Licogliflozin,investigational,,,,,,,,,CHEMBL4297625,,LICOGLIFLOZIN,,52913524,CCC1=CC=C(C=C1CC1=CC2=C(OCCO2)C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1",XFJAMQQAAMJFGB-ZQGJOIPISA-N
DB15049,56038-13-2,Sucralose,experimental,,,,1439115,,,,ZINC000004654665,CHEMBL3185084,50367128,,32159,71485,OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl,"InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1",BAQAVOSOZGMPRM-QBMZZYIRSA-N
DB15050,2009-64-5,Neopterin,investigational,,,,,,NEU,,ZINC000012428336,,,,,135398721,NC1=NC2=C(N=C(C=N2)[C@H](O)[C@H](O)CO)C(=O)N1,"InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1",BMQYVXCPAOLZOK-XINAWCOVSA-N
DB15051,217798-39-5,Ethaselen,investigational,,,,,,,,,CHEMBL2035460,50385303,ETHASELEN,,10387485,O=C1N(CCN2[Se]C3=C(C=CC=C3)C2=O)[Se]C2=C1C=CC=C2,"InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2",SFFSGPCYJCMDJM-UHFFFAOYSA-N
DB15052,916918-80-4,Ansofaxine,investigational,,,,,,,,,CHEMBL4227736,50459922,TOLUDESVENLAFAXINE HYDROCHLORIDE,,15983287,CN(C)CC(C1=CC=C(OC(=O)C2=CC=C(C)C=C2)C=C1)C1(O)CCCCC1,"InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3",QKYBZJLEMOZFFU-UHFFFAOYSA-N
DB15053,2209911-94-2,Lintuzumab satetraxetan AC-225,investigational,,,,,,,,,,,,,,,,
DB15054,1402602-94-1,TAS-117,investigational,,,,,,,,,CHEMBL4297329,,TAS 117,,,C[C@@]1(O)C[C@@](N)(C1)C1=CC=C(C=C1)C1=C(N2COC3=CC=NC=C3C2=N1)C1=CC=CC=C1,"InChI=1S/C26H24N4O2/c1-25(31)14-26(27,15-25)19-9-7-17(8-10-19)22-23(18-5-3-2-4-6-18)30-16-32-21-11-12-28-13-20(21)24(30)29-22/h2-13,31H,14-16,27H2,1H3/t25-,26-",AIFGVDXMHWGOGJ-DIVCQZSQSA-N
DB15055,1235560-28-7,ABT-639,investigational,,,,,,,,ZINC000113741875,CHEMBL3590674,50095309,ABT-639,,46851313,FC1=CC=CC=C1NS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCN2CCC[C@@H]2C1,"InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1",AGPIHNZOZNKRGT-CYBMUJFWSA-N
DB15056,82657-04-3,Bifenthrin,investigational,,,,2475177,,,,ZINC000002516821,CHEMBL2227975,,,87579,6442842,CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](\C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1,"InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1",OMFRMAHOUUJSGP-IRHGGOMRSA-N
DB15057,840506-29-8,NUC-1031,investigational,,,,,,,,,CHEMBL3126004,,ACELARIN,,11169170,C[C@H](NP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1",NHTKGYOMICWFQZ-KKQYNPQSSA-N
DB15058,637003-10-2,Flutemetamol,investigational,,,,1486026,,,,ZINC000034220093,CHEMBL579205,50481120,(18F)FLUTEMETAMOL,,10107393,CNC1=C(F)C=C(C=C1)C1=NC2=C(S1)C=C(O)C=C2,"InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3",VVECGOCJFKTUAX-UHFFFAOYSA-N
DB15059,1103522-45-7,Aprocitentan,investigational,,,,,,,,ZINC000095553608,CHEMBL2165326,50395672,ACT-132577,76609,25099191,NS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1,"InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)",DKULOVKANLVDEA-UHFFFAOYSA-N
DB15061,1548439-51-5,Lefitolimod,investigational,,,,,,,,,,,,,,,,
DB15062,475650-36-3,Inarigivir,investigational,,,,,,,,,CHEMBL1084430,,INARIGIVIR,,6912016,CO[C@@H]1[C@H](OP(S)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](CO)O[C@H]1N1C=CC(=O)NC1=O,"InChI=1S/C20H26N7O10PS/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31)/t9-,10+,11+,13+,15+,16+,19+,38?/m0/s1",LYMICVBGNUEHGE-FUQPUAIBSA-N
DB15063,942123-43-5,Inarigivir soproxil,investigational,,,,,,,,,CHEMBL1076930,,SB 9200,,24737742,CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C2N=CN=C3N)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1N1C=CC(=O)NC1=O,"InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1",CJCYTUJOSMYXLE-JDLSZIHUSA-N
DB15064,1231737-88-4,Teprasiran,investigational,,,,,,,,,,,,,,,,
DB15065,1393124-08-7,PF-06291874,investigational,,,,,,,,ZINC000096269688,CHEMBL2381848,50433577,PF-06291874,,60151939,CCC[C@H](OC1=CC(C)=C(N2C=C(C=N2)C(F)(F)F)C(C)=C1)C1=CC=C(C=C1)C(=O)NCCC(O)=O,"InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1",IBDYYOQKQCCSDP-QFIPXVFZSA-N
DB15066,1639325-43-1,Givosiran,"['approved', 'investigational']","['26528940', '30987916', '30726693', '31102718']",,,2265712,,,,,,,,,,,,
DB15067,915430-78-3,Volanesorsen,"['approved', 'investigational']",31350288,,D11648,,,,,,,,,,,,,
DB15068,1188910-76-0,Agerafenib,investigational,,,,,,,,ZINC000043207440,CHEMBL2029988,50382959,RXDX-105,,56846693,COC1=C(OC)C=C2C(OC3=CC=CC(NC(=O)NC4=NOC(=C4)C(C)(C)C(F)(F)F)=C3)=NC=NC2=C1,"InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)",DKNUPRMJNUQNHR-UHFFFAOYSA-N
DB15069,1058624-46-6,Pexastimogene devacirepvec,investigational,,,,,,,,,,,,,,,,
DB15070,,GI heptapeptide,investigational,,,,,,,,,,,,,,,,
DB15071,1187451-19-9,Omidenepag isopropyl,investigational,,,,,,,5312,,CHEMBL4297666,50506549,DE-117,,44230999,CC(C)OC(=O)CNC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=N1,"InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30)",VIQCWEGEHRBLAC-UHFFFAOYSA-N
DB15072,123475-27-4,Beinaglutide,investigational,,,,,,,,,,,,,,,,
DB15073,50-69-1,Ribose,investigational,,,,1314858,,RB5,,ZINC000018168713,,,,47014,5311110,[H]C(=O)[C@H](O)[C@H](O)[C@H](O)CO,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1",PYMYPHUHKUWMLA-LMVFSUKVSA-N
DB15074,1621271-62-2,Aglatimagene besadenovec,investigational,,,,,,,,,,,,,,,,
DB15075,942149-56-6,4-demethyl-4-cholesteryloxycarbonylpenclomedine,investigational,,,,,,,,,CHEMBL4297253,,4-DEMETHYL-4-CHOLESTERYLOXYCARBONYLPENCLOMEDINE,,16126905,COC1=C(Cl)C(OC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)=C(Cl)C(=N1)C(Cl)(Cl)Cl,"InChI=1S/C35H48Cl5NO4/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(14-16-33(21,4)26(23)15-17-34(24,25)5)44-32(42)45-29-27(36)30(35(38,39)40)41-31(43-6)28(29)37/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,33+,34-/m1/s1",ZJUUIXYKTPSIOH-LEZJFEBPSA-N
DB15076,1342290-43-0,Abrilumab,investigational,,,,,,,,,,,,,,,,
DB15077,2055640-93-0,Efinopegdutide,investigational,,,,,,,,,,,,,,,,
DB15078,1443530-05-9,Rogaratinib,investigational,,,,,,,,,CHEMBL3963485,194820,BAY-1163877,,71611869,COCC1=C(CN2CCNC(=O)C2)N2N=CN=C(N)C2=C1C1=CC2=C(S1)C(OC)=CC(C)=C2,"InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)",HNLRRJSKGXOYNO-UHFFFAOYSA-N
DB15079,1926203-09-9,Troriluzole,investigational,,,,,,,,,CHEMBL4297586,,TRORILUZOLE,,121488186,CN(CC(=O)NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2)C(=O)CNC(=O)CN,"InChI=1S/C15H16F3N5O4S/c1-23(13(26)6-20-11(24)5-19)7-12(25)22-14-21-9-3-2-8(4-10(9)28-14)27-15(16,17)18/h2-4H,5-7,19H2,1H3,(H,20,24)(H,21,22,25)",YBZSGIWIPOUSHY-UHFFFAOYSA-N
DB15080,1375073-95-2,ELX-02,investigational,,,,,,,,ZINC000095559140,CHEMBL2220482,,,,71455937,C[C@@H](N)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O,"InChI=1S/C19H38N4O10/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24/h4-19,24-29H,3,20-23H2,1-2H3/t4-,5-,6-,7+,8-,9+,10-,11+,12+,13-,14-,15-,16-,17-,18-,19+/m1/s1",KJBRSTPUILEBDR-YBNFDXCTSA-N
DB15081,,Melanoma antigen recognized by T-cells 1,investigational,,,,,,,,,,,,,,,,
DB15082,1613144-80-1,Cabiralizumab,investigational,,,,,,,,,,,,,,,,
DB15083,1629605-31-7,Domagrozumab,investigational,,,,,,,,,,,,,,,,
DB15084,859209-84-0,GS-9191,investigational,,,,,,,,ZINC000068150797,CHEMBL1652465,,GS-9191,,44181731,CC(C)COC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(COCCN1C=NC2=C1N=C(N)N=C2NC1CC1)N[C@@H](CC1=CC=CC=C1)C(=O)OCC(C)C,"InChI=1S/C37H51N8O6P/c1-25(2)21-50-35(46)30(19-27-11-7-5-8-12-27)43-52(48,44-31(36(47)51-22-26(3)4)20-28-13-9-6-10-14-28)24-49-18-17-45-23-39-32-33(40-29-15-16-29)41-37(38)42-34(32)45/h5-14,23,25-26,29-31H,15-22,24H2,1-4H3,(H2,43,44,48)(H3,38,40,41,42)/t30-,31-/m0/s1",YTMOQFAFGKLYIW-CONSDPRKSA-N
DB15085,1488354-15-9,Fulacimstat,investigational,,,,,,,,,CHEMBL4297596,256011,BAY1142524,,91758792,CN1C(=O)OC2=CC(=CC=C12)N1C=C(C(O)=O)C(=O)N([C@@H]2CCC3=C(C=CC=C23)C(F)(F)F)C1=O,"InChI=1S/C23H16F3N3O6/c1-27-17-7-5-11(9-18(17)35-22(27)34)28-10-14(20(31)32)19(30)29(21(28)33)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H,31,32)/t16-/m1/s1",JDARDSVOVYVQST-MRXNPFEDSA-N
DB15086,6701-17-3,Ocrylate,investigational,,,,,,,,,CHEMBL2105181,,OCRYLATE,,23167,CCCCCCCCOC(=O)C(=C)C#N,"InChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3",RPQUGMLCZLGZTG-UHFFFAOYSA-N
DB15087,23140-52-5,Psicose,investigational,,,,,,PSJ,,ZINC000005132035,CHEMBL1235460,,,27605,90008,OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1",BJHIKXHVCXFQLS-PUFIMZNGSA-N
DB15088,1803176-05-7,Oleclumab,investigational,,,,,,,,,,,,,,,,
DB15089,1643672-70-1,Frovocimab,investigational,,,,,,,,,,,,,,,,
DB15090,1572943-04-4,Tezepelumab,"['approved', 'investigational']","['28368013', '31549891', '31974038', '33922072']",,,,,,,,,,,,,,,
DB15091,1310726-60-3,Upadacitinib,"['approved', 'investigational']","['30886973', '29282366', '29688617', '29424301', '30508136', '30945116', '7537214', '31692920']",L04AA44,,2196092,,,5346,,CHEMBL3622821,50503287,UPADACITINIB,,58557659,CC[C@@H]1CN(C[C@@H]1C1=CN=C2C=NC3=C(C=CN3)N12)C(=O)NCC(F)(F)F,"InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1",WYQFJHHDOKWSHR-MNOVXSKESA-N
DB15092,879409-35-5,LY-2624803,investigational,,,,,,,,,,,,,11567064,CC(C)(CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=CC=CC=C12)C(O)=O,"InChI=1S/C22H25N3O3/c1-22(2,21(26)27)15-24-11-13-25(14-12-24)20-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23-20/h3-10H,11-15H2,1-2H3,(H,26,27)",UEFWDVMEDFCHGW-UHFFFAOYSA-N
DB15093,1338578-34-9,Somapacitan,"['approved', 'investigational']","['23359786', '29671202', '26727076', '25013997', '32053994']",,D11194,2557394,,,,,,,,,,,,
DB15094,1622134-89-7,Anfibatide,investigational,,,,,,,,,,,,,,,,
DB15095,193700-51-5,Leridistim,investigational,,,,,,,,,,,,,,,,
DB15096,308123-60-6,18-methoxycoronaridine,investigational,,,,,,,,ZINC000013522281,,,,,15479177,COCC[C@H]1C[C@H]2CN3CCC4=C(NC5=C4C=CC=C5)[C@](C2)([C@H]13)C(=O)OC,"InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14-,15+,20+,22-/m1/s1",DTJQBBHYRQYDEG-SVBQBFEESA-N
DB15097,1015787-98-0,Gefapixant,investigational,,,,,,AF9,,ZINC000116342482,CHEMBL3716057,50533006,MK-7264,,24764487,COC1=C(C=C(OC2=CN=C(N)N=C2N)C(=C1)C(C)C)S(N)(=O)=O,"InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)",HLWURFKMDLAKOD-UHFFFAOYSA-N
DB15098,92478-27-8,Morinidazole,investigational,,,,,,,5255,,CHEMBL3884248,,MORINIDAZOLE,,11644726,CC1=NC=C(N1CC(O)CN1CCOCC1)[N+]([O-])=O,"InChI=1S/C11H18N4O4/c1-9-12-6-11(15(17)18)14(9)8-10(16)7-13-2-4-19-5-3-13/h6,10,16H,2-5,7-8H2,1H3",GAZGHCHCYRSPIV-UHFFFAOYSA-N
DB15099,476689-77-7,GW-468816,investigational,,,,,,,,ZINC000003982522,CHEMBL1206161,,,,9907331,OC(=O)[C@H]1C\C(=C2\CCN(C2=O)C2=CC=CC=C2)C2=CC=C(Cl)C=C2N1,"InChI=1S/C20H17ClN2O3/c21-12-6-7-14-16(11-18(20(25)26)22-17(14)10-12)15-8-9-23(19(15)24)13-4-2-1-3-5-13/h1-7,10,18,22H,8-9,11H2,(H,25,26)/b16-15+/t18-/m1/s1",XDKRVNKVAKCFGW-WXWBBQJKSA-N
DB15100,1864871-20-4,Cusatuzumab,investigational,"['24492296', '33459118']",,,,,,,,,,,,,,,
DB15101,918127-53-4,Tigatuzumab,investigational,,,,,,,,,,,,,,,,
DB15102,1513857-77-6,Pemigatinib,"['approved', 'investigational']","['27928095', '31803255', '32315352', '31770593']",,,2359268,,,5390,,CHEMBL4297522,301310,INCB054828,,86705695,CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F,"InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)",HCDMJFOHIXMBOV-UHFFFAOYSA-N
DB15104,1714088-51-3,Telisotuzumab vedotin,investigational,,,,,,,,,,,,,,,,
DB15105,1818339-66-0,PF-06751979,investigational,,,,,,,,,CHEMBL3952064,223395,,,118435360,C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)C1=NC(NC(=O)C2=NC=C(OC(F)F)C=C2)=CS1,"InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1",ZLZUHACSRMOLLV-RAALSFIWSA-N
DB15106,1308672-74-3,Surufatinib,investigational,,,,,,,,ZINC000117218067,CHEMBL4297190,,SURUFATINIB,,52920501,CN(C)CCNS(=O)(=O)CC1=CC(NC2=NC(OC3=CC4=C(NC(C)=C4)C=C3)=CC=N2)=CC=C1,"InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)",TTZSNFLLYPYKIL-UHFFFAOYSA-N
DB15107,29702-43-0,Fludeoxyglucose,investigational,,,,,,,,ZINC000001846431,CHEMBL1908940,,,49135,170049,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](F)C=O,"InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1",AOYNUTHNTBLRMT-SLPGGIOYSA-N
DB15108,1141509-98-9,Tipranavir C-14,investigational,,,,,,,,,CHEMBL445699,,,,54728557,CCC[C@@]1(CCC2=CC=CC=C2)CC(O)=C([14C@H](CC)C2=CC=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=C2)C(=O)O1,"InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1/i25+2",SUJUHGSWHZTSEU-MWQIXQBFSA-N
DB15109,1383547-60-1,Ingenol disoxate,investigational,,,,,,,,,CHEMBL3989918,,INGENOL DISOXATE,,57410862,CCC1=C(C(=O)O[C@H]2C(C)=C[C@@]34[C@H](C)C[C@@H]5[C@H]([C@H](C=C(CO)[C@@H](O)[C@]23O)C4=O)C5(C)C)C(CC)=NO1,"InChI=1S/C28H37NO7/c1-7-18-20(19(8-2)36-29-18)25(33)35-24-13(3)11-27-14(4)9-17-21(26(17,5)6)16(23(27)32)10-15(12-30)22(31)28(24,27)34/h10-11,14,16-17,21-22,24,30-31,34H,7-9,12H2,1-6H3/t14-,16+,17-,21+,22-,24+,27+,28+/m1/s1",GLIUZQUNUNICGS-XUBYYPQFSA-N
DB15110,1034616-18-6,Onvansertib,investigational,,,,,,937,,ZINC000043196885,CHEMBL1738758,50343559,NMS-1286937,,49792852,CN1CCN(CC1)C1=CC(NC2=NC=C3CCC4=C(N(CCO)N=C4C(N)=O)C3=N2)=C(OC(F)(F)F)C=C1,"InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)",QHLVBNKYJGBCQJ-UHFFFAOYSA-N
DB15111,78887-71-5,Acetic acid C-11,investigational,,,,2550706,,,,,CHEMBL4297336,,,,450349,C[11C](O)=O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i2-1",QTBSBXVTEAMEQO-JVVVGQRLSA-N
DB15112,1088845-67-3,Somatropin pegol,investigational,,,,,,,,,,,,,,,,
DB15113,1417318-27-4,Utomilumab,investigational,,,,,,,,,,,,,,,,
DB15114,13209-41-1,Vamorolone,investigational,,,,,,,,ZINC000033650317,CHEMBL2348780,50432396,,,3035000,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO,"InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1",ZYTXTXAMMDTYDQ-DGEXFFLYSA-N
DB15115,2098636-09-8,Nimacimab,investigational,,,,,,,,,,,,,,,,
DB15116,1169766-01-1,Ramatercept,investigational,,,,,,,,,,,,,,,,
DB15117,118712-89-3,Transfluthrin,investigational,,,,,,,,ZINC000005455493,CHEMBL3184657,,,32253,656612,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCC1=C(F)C(F)=CC(F)=C1F,"InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1",DDVNRFNDOPPVQJ-HQJQHLMTSA-N
DB15118,1496553-00-4,Zolbetuximab,investigational,,,,,,,,,,,,,,,,
DB15119,1335098-50-4,Ropeginterferon alfa-2b,"['approved', 'investigational']","['32366208', '32708474', '30287855', '26261238']",L03AB15,,2587059,,,,,,,,,,,,
DB15120,720691-69-0,GSK-239512,investigational,,,,,,,,ZINC000003961802,CHEMBL3092650,50444496,GSK239512,,9976892,O=C1CCCN1C1=CC=C(OC2=CC3=C(CCN(CC3)C3CCC3)C=C2)N=C1,"InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2",YFRBKEVUUCQYOW-UHFFFAOYSA-N
DB15121,1355612-71-3,AT-001,investigational,,,,,,,,ZINC000113653985,CHEMBL4297455,,AT 001,,56639723,OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1N=CC=N2,"InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)",YRGPAXAVTDMKDK-UHFFFAOYSA-N
DB15122,1268605-91-9,PCS-499,investigational,,,,,,,,,CHEMBL4297371,,,,51041322,[2H]C([2H])([2H])[C@H](O)C([2H])([2H])CCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,"InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1/i1D3,6D2",NSMXQKNUPPXBRG-WHPHVCHMSA-N
DB15123,1191995-00-2,Dorzagliatin,investigational,,,,,,,,,CHEMBL4297508,,DORZAGLIATIN,,57920094,CC(C)C[C@H](N1CC(OC2=C(Cl)C=CC=C2)=CC1=O)C(=O)NC1=NN(C[C@@H](O)CO)C=C1,"InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18+/m1/s1",HMUMWSORCUWQJO-QAPCUYQASA-N
DB15124,1387633-03-5,PF-05241328,investigational,,,,,,,,,CHEMBL4279521,50466964,PF-05241328,,68109743,CC(C)COC1=NC=C(C=C1Cl)N1N=C(C)C2=C1C=CC(=C2)C(=O)NS(C)(=O)=O,"InChI=1S/C19H21ClN4O4S/c1-11(2)10-28-19-16(20)8-14(9-21-19)24-17-6-5-13(7-15(17)12(3)22-24)18(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)",RVTSXVZXEGFIPW-UHFFFAOYSA-N
DB15125,1980787-47-0,Belapectin,investigational,,,,,,,,,,,,,,,,
DB15126,1990504-34-1,IMG-7289,investigational,,,,,,,,,,425083,BOMEDEMSTAT,,122460381,CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1C1=CC=C(F)C=C1)NC(=O)C1=CC=C(C=C1)N1C=CN=N1,"InChI=1S/C28H34FN7O2/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37)/t24-,25-,26+/m0/s1",KQKBMHGOHXOHTD-KKUQBAQOSA-N
DB15127,1333-74-0,Hydrogen,investigational,,,,5497,,,,,,,,18276,58838673,[H][H],InChI=1S/H2/h1H,UFHFLCQGNIYNRP-UHFFFAOYSA-N
DB15128,1791410-27-9,Remtolumab,investigational,,,,,,,,,,,,,,,,
DB15129,1040753-26-1,Pegadricase,investigational,,,,,,,,,,,,,,,,
DB15130,104632-28-2,Dexpramipexole,investigational,,,,,PA164742949,,,ZINC000003831352,CHEMBL249420,,DEXPRAMIPEXOLE,,59868,CCCN[C@@H]1CCC2=C(C1)SC(N)=N2,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1",FASDKYOPVNHBLU-SSDOTTSWSA-N
DB15131,142192-09-4,Interferon alfa-2c,investigational,,,,,,,,,,,,,,,,
DB15132,1201686-72-7,AZD-8165,investigational,,,,,,,,ZINC000114299781,CHEMBL3786896,,AZD-8165,,44548240,CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCC1=C(C=CC(Cl)=C1)N1C=NN=N1)C1=CC=C(F)C=C1,"InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1",YUHNXUAATAMVKD-PZJWPPBQSA-N
DB15133,1100598-32-0,Tepotinib,"['approved', 'investigational']","['33126762', '32221754', '32825724', '31078601', '24832869', '32361823']",,,2477103,,3E8,5424,ZINC000043202335,CHEMBL3402762,50065457,MSC-2156119,,25171648,CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1,"InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3",AHYMHWXQRWRBKT-UHFFFAOYSA-N
DB15134,864084-85-5,Fluoroazomycin arabinoside F-18,investigational,,,,,,,,,,,,,2826728,O[C@H]1[C@H](O)[C@H](O[C@@H]1C[18F])N1C=CN=C1[N+]([O-])=O,"InChI=1S/C8H10FN3O5/c9-3-4-5(13)6(14)7(17-4)11-2-1-10-8(11)12(15)16/h1-2,4-7,13-14H,3H2/t4-,5-,6+,7+/m1/s1/i9-1",LPZSRGRDVVGMMX-FJBGPTLJSA-N
DB15135,1178862-65-1,Ponezumab,investigational,,,,,,,,,,,,,,,,
DB15136,58543-16-1,Rebaudioside A,investigational,,,,1667222,,,,ZINC000242498440,,,,145012,6918840,C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-33(58)30(55)26(51)20(14-47)62-38)23(43)6-10-44(17,16-43)67-39-35(65-37-32(57)29(54)25(50)19(13-46)61-37)34(27(52)21(15-48)63-39)64-36-31(56)28(53)24(49)18(12-45)60-36/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1",HELXLJCILKEWJH-NCGAPWICSA-N
DB15137,852948-13-1,VK-2809,investigational,,,,,,,,ZINC000034777163,CHEMBL457748,50401076,VK-2809,,15942005,CC(C)C1=CC(CC2=C(C)C=C(OC[P@@]3(=O)OCC[C@H](O3)C3=CC=CC(Cl)=C3)C=C2C)=CC=C1O,"InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1",LGGPZDRLTDGYSQ-JADSYQMUSA-N
DB15138,1639042-08-2,AZD-9496,investigational,,,,,,KE9,,ZINC000219669733,CHEMBL3623004,50125052,AZD 9496,,86287635,C[C@@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1CC(C)(C)F)C1=C(F)C=C(\C=C\C(O)=O)C=C1F,"InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1",DFBDRVGWBHBJNR-BBNFHIFMSA-N
DB15139,,Bifunctional epoxide hydrolase 2,investigational,,,,,,,,,,,,,,,,
DB15140,1939126-74-5,Bempegaldesleukin,investigational,,,,,,,,,,,,,,,,
DB15141,1413431-07-8,Deutivacaftor,investigational,,,,,,,,,CHEMBL4297603,,,,71470491,[2H]C([2H])([2H])C(C1=CC(=C(NC(=O)C2=CNC3=C(C=CC=C3)C2=O)C=C1O)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H],"InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)/i4D3,5D3,6D3",PURKAOJPTOLRMP-ASMGOKTBSA-N
DB15143,1817626-54-2,PF-06650833,investigational,,,,,,8CG,,ZINC000526061587,CHEMBL4081711,50239499,PF-06650833,,118414016,CC[C@H]1[C@@H](COC2=C3C=C(OC)C(=CC3=CC=N2)C(N)=O)NC(=O)[C@H]1F,"InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1",JKDGKIBAOAFRPJ-ZBINZKHDSA-N
DB15144,208517-65-1,Altropane I-123,investigational,,,,,,,,,CHEMBL4297407,,,,71587637,COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1)N2C\C=C\[123I],"InChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1/i20-4",GTQLIPQFXVKRKJ-HYRAKNMCSA-N
DB15145,1422500-60-4,Ziresovir,investigational,,,,,,,,,CHEMBL4468815,50516304,ZIRESOVIR,,71262247,CC1=CC2=C(NCC3(N)COC3)N=C(N=C2C=C1)N1CCS(=O)(=O)C2=CC=CC=C2C1,"InChI=1S/C22H25N5O3S/c1-15-6-7-18-17(10-15)20(24-12-22(23)13-30-14-22)26-21(25-18)27-8-9-31(28,29)19-5-3-2-4-16(19)11-27/h2-7,10H,8-9,11-14,23H2,1H3,(H,24,25,26)",GAAICKUTDBZCMT-UHFFFAOYSA-N
DB15146,128446-35-5,Adrabetadex,investigational,,,,2105627,,,,,CHEMBL4297678,,ADRABETADEX,,138059665,CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1C[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](OCC(C)O)[C@H]3O,"InChI=1S/C54H94O38/c1-17(59)10-75-14-27-22-5-21(63)48(84-27)87-44-26(9-58)83-54(47(40(44)74)78-13-20(4)62)92-43-25(8-57)82-50(38(72)32(43)66)88-41-23(6-55)80-52(36(70)30(41)64)91-46-29(16-77-12-19(3)61)86-53(39(73)34(46)68)89-42-24(7-56)81-51(37(71)31(42)65)90-45-28(15-76-11-18(2)60)85-49(79-22)35(69)33(45)67/h17-74H,5-16H2,1-4H3/t17?,18?,19?,20?,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-,47-,48-,49+,50-,51-,52-,53-,54-/m1/s1",NJWCVQBHNBLNOZ-ZRMYETLXSA-N
DB15147,1236199-60-2,Tinostamustine,investigational,,,,,,,,,CHEMBL3989941,,EDO-S-101,,46836227,CN1C(CCCCCCC(=O)NO)=NC2=CC(=CC=C12)N(CCCl)CCCl,"InChI=1S/C19H28Cl2N4O2/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26)",GISXTRIGVCKQBX-UHFFFAOYSA-N
DB15148,1229575-09-0,Lenzilumab,investigational,,,,,,,,,,,,,,,,
DB15149,1448169-71-8,Futibatinib,investigational,,,,,,TZ0,,ZINC000207800318,CHEMBL3701238,161389,TAS-120,,71621331,COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2,"InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1",KEIPNCCJPRMIAX-HNNXBMFYSA-N
DB15150,,Fibronectin,investigational,,,,,,,,,,,,,,,,
DB15151,1349719-98-7,RO-6870810,investigational,,,,,,,,,CHEMBL4297423,483491,RO6870810,,54670351,CN1CCN(CCCNC(=O)C[C@@H]2N=C(C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(Cl)C=C2)CC1,"InChI=1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16H2,1-4H3,(H,29,36)/t22-/m0/s1",PKQXLRYFPSZKDU-QFIPXVFZSA-N
DB15152,1019639-33-8,TMC-649128,investigational,,,,,,,,,CHEMBL4297499,,TMC-649128,,24769037,CC(C)C(=O)OC[C@]1(O[C@H]([C@@H](C)[C@@H]1OC(=O)C(C)C)N1C=CC(N)=NC1=O)N=[N+]=[N-],"InChI=1S/C18H26N6O6/c1-9(2)15(25)28-8-18(22-23-20)13(29-16(26)10(3)4)11(5)14(30-18)24-7-6-12(19)21-17(24)27/h6-7,9-11,13-14H,8H2,1-5H3,(H2,19,21,27)/t11-,13-,14+,18+/m0/s1",XJBILYMRFVHPJB-XJQUKVTJSA-N
DB15153,1662664-56-3,Dezamizumab,investigational,,,,,,,,,,,,,,,,
DB15154,1792181-33-9,Vunakizumab,investigational,,,,,,,,,,,,,,,,
DB15155,2097151-87-4,Pepinemab,investigational,,,,,,,,,,,,,,,,
DB15156,1132936-00-5,ABT-072,investigational,,,,,,,,ZINC000113918524,CHEMBL4076467,,ABT072,,57775240,COC1=C(\C=C\C2=CC=C(NS(C)(=O)=O)C=C2)C=C(C=C1C(C)(C)C)N1C=CC(=O)NC1=O,"InChI=1S/C24H27N3O5S/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31/h6-15,26H,1-5H3,(H,25,28,29)/b9-6+",XMZSTQYSBYEENY-RMKNXTFCSA-N
DB15157,1000023-04-0,Voruciclib,investigational,,,,,,,,,CHEMBL3905910,50193104,VORUCICLIB,,67409219,CN1CC[C@H]([C@@H]1CO)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=C(C=C1Cl)C(F)(F)F,"InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1",MRPGRAKIAJJGMM-OCCSQVGLSA-N
DB15158,,BPI-3016,investigational,,,,,,,,,,,,,,,,
DB15159,1429201-24-0,Trevogrumab,investigational,,,,,,,,,,,,,,,,
DB15160,1450882-18-4,Asunercept,investigational,,,,,,,,,,,,,,,,
DB15161,566170-04-5,Pittsburgh Compound B,investigational,,,,,,,,,CHEMBL207456,,,,2826731,[11CH3]NC1=CC=C(C=C1)C1=NC2=C(S1)C=C(O)C=C2,"InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1",ZQAQXZBSGZUUNL-BJUDXGSMSA-N
DB15162,1966111-35-2,Pegilodecakin,investigational,,,,,,,,,,,,,,,,
DB15163,1159500-34-1,Selatogrel,investigational,,,,,,,,,CHEMBL4297589,,ACT-246475,,59534142,CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(O)(O)=O)NC(=O)C1=CC(=NC(=N1)C1=CC=CC=C1)N1CC[C@@H](C1)OC,"InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1",FYXHWMQPCJOJCH-GMAHTHKFSA-N
DB15164,2086325-24-6,Apadamtase alfa,investigational,,,,,,,,,,,,,,,,
DB15165,1613641-69-2,Avacincaptad pegol,investigational,,,,,,,,,,,,,,,,
DB15166,1417179-66-8,Albuvirtide,investigational,,,,,,,,,,,,,,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O,"InChI=1S/C204H306N54O72/c1-17-100(12)166(200(325)240-128(51-66-163(289)290)180(305)232-127(50-65-162(287)288)185(310)253-143(93-259)199(324)238-120(43-56-147(209)266)181(306)248-139(86-149(211)268)191(316)234-119(42-55-146(208)265)176(301)227-117(40-53-144(206)263)174(299)229-121(44-59-156(275)276)177(302)225-114(33-24-26-69-205)172(297)247-138(85-148(210)267)192(317)237-123(46-61-158(279)280)178(303)228-118(41-54-145(207)264)175(300)230-124(47-62-159(281)282)182(307)242-131(78-97(6)7)187(312)241-130(170(214)295)77-96(4)5)255-197(322)133(80-99(10)11)244-183(308)126(49-64-161(285)286)236-190(315)137(84-108-92-217-95-223-108)251-201(326)168(102(14)19-3)256-196(321)132(79-98(8)9)243-173(298)115(34-25-27-70-218-153(272)94-330-76-75-329-74-72-219-152(271)68-73-258-154(273)57-58-155(258)274)239-203(328)169(103(15)260)257-198(323)134(81-105-36-38-109(262)39-37-105)245-193(318)140(87-150(212)269)249-194(319)141(88-151(213)270)252-202(327)167(101(13)18-2)254-186(311)129(52-67-164(291)292)233-171(296)116(35-28-71-220-204(215)216)226-195(320)142(89-165(293)294)250-189(314)136(83-107-91-222-113-32-23-21-30-111(107)113)246-184(309)125(48-63-160(283)284)231-179(304)122(45-60-157(277)278)235-188(313)135(224-104(16)261)82-106-90-221-112-31-22-20-29-110(106)112/h20-23,29-32,36-39,57-58,90-92,95-103,114-143,166-169,221-222,259-260,262H,17-19,24-28,33-35,40-56,59-89,93-94,205H2,1-16H3,(H2,206,263)(H2,207,264)(H2,208,265)(H2,209,266)(H2,210,267)(H2,211,268)(H2,212,269)(H2,213,270)(H2,214,295)(H,217,223)(H,218,272)(H,219,271)(H,224,261)(H,225,302)(H,226,320)(H,227,301)(H,228,303)(H,229,299)(H,230,300)(H,231,304)(H,232,305)(H,233,296)(H,234,316)(H,235,313)(H,236,315)(H,237,317)(H,238,324)(H,239,328)(H,240,325)(H,241,312)(H,242,307)(H,243,298)(H,244,308)(H,245,318)(H,246,309)(H,247,297)(H,248,306)(H,249,319)(H,250,314)(H,251,326)(H,252,327)(H,253,310)(H,254,311)(H,255,322)(H,256,321)(H,257,323)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H4,215,216,220)/t100-,101-,102-,103+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,166-,167-,168-,169-/m0/s1",DJIGFNCGXOAXOW-WTPNCWHFSA-N
DB15167,166173-78-0,Fallypride,investigational,,,,,,,,ZINC000006483622,CHEMBL392158,50220541,FALLYPRIDE,,10021692,COC1=C(OC)C(=CC(CCCF)=C1)C(=O)NC[C@@H]1CCCN1CC=C,"InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1",OABRYNHZQBZDMG-INIZCTEOSA-N
DB15168,1418274-28-8,Cilofexor,investigational,,,,,,,,,CHEMBL4297613,50511109,PX104,,71228883,OC(=O)C1=CC=NC(=C1)N1CC(O)(C1)C1=C(Cl)C=C(OCC2=C(ON=C2C2=C(Cl)C=CC=C2Cl)C2CC2)C=C1,"InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)",KZSKGLFYQAYZCO-UHFFFAOYSA-N
DB15169,1702259-66-2,H3B-6527,investigational,,,,,,,,ZINC000521836463,CHEMBL3939295,249396,H3B 6527,,118029202,CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C(NC(=O)C=C)=C1,"InChI=1S/C29H34Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h6,8-9,14-17H,1,7,10-13H2,2-5H3,(H,35,40)(H,36,41)(H,32,33,34)",MBWRLLRCTIYXDW-UHFFFAOYSA-N
DB15170,1415823-73-2,Evobrutinib,investigational,,,,,,MZJ,,ZINC000205623965,CHEMBL4072833,291522,M-2951,,71479709,NC1=NC=NC(NCC2CCN(CC2)C(=O)C=C)=C1C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)",QUIWHXQETADMGN-UHFFFAOYSA-N
DB15171,2023788-19-2,Tirzepatide,investigational,,,,,,,,,,,,,,,,
DB15172,1629620-18-3,Suvratoxumab,investigational,,,,,,,,,,,,,,,,
DB15173,1346528-50-4,JNJ-42165279,investigational,,,,,,,,ZINC000168658420,CHEMBL4297294,174013,JNJ-42165279,,54576693,FC1(F)OC2=CC=C(CN3CCN(CC3)C(=O)NC3=C(Cl)C=CN=C3)C=C2O1,"InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)",YWGYNGCRVZLMCS-UHFFFAOYSA-N
DB15175,1476737-24-2,Ofranergene obadenovec,investigational,,,,,,,,,,,,,,,,
DB15176,1228538-47-3,Quilizumab,investigational,,,,,,,,,,,,,,,,
DB15177,2204245-48-5,VX-659,investigational,,,,,,,,,CHEMBL4297849,,VX659,,134393443,C[C@@H]1CN(C2=C(C=CC(=N2)N2C=CC(OCCC3(CC3)C(F)(F)F)=N2)C(=O)NS(=O)(=O)C2=CC=CC=C2)C(C)(C)C1,"InChI=1S/C28H32F3N5O4S/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37)/t19-/m0/s1",IGEOJNMYRZUKIK-IBGZPJMESA-N
DB15178,1646321-00-7,Tomuzotuximab,investigational,,,,,,,,,,,,,,,,
DB15182,9051-29-0,alpha-Lactalbumin,investigational,,,,,,,,,,,,,,,,
DB15183,2091769-17-2,Fosmanogepix,investigational,,,,,,,,,CHEMBL4297591,,FOSMANOGEPIX,,53379621,NC1=C(C=CC=[N+]1COP(O)([O-])=O)C1=CC(CC2=CC=C(COC3=NC=CC=C3)C=C2)=NO1,"InChI=1S/C22H21N4O6P/c23-22-19(4-3-11-26(22)15-31-33(27,28)29)20-13-18(25-32-20)12-16-6-8-17(9-7-16)14-30-21-5-1-2-10-24-21/h1-11,13,23H,12,14-15H2,(H2,27,28,29)",JQONJQKKVAHONF-UHFFFAOYSA-N
DB15185,1587257-96-2,Rasdegafusp alfa,investigational,,,,,,,,,,,,,,,,
DB15186,1382979-44-3,GDC-0084,investigational,,,,,,,,ZINC000149645112,CHEMBL3813842,50177662,GDC0084,,57384863,CC1(C)OCCN2C1=NC1=C(N=C(N=C21)C1=CN=C(N)N=C1)N1CCOCC1,"InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)",LGWACEZVCMBSKW-UHFFFAOYSA-N
DB15187,1341200-45-0,Dubermatinib,investigational,,,,,,,,ZINC000084617535,CHEMBL2022968,50382425,TP0903,,56839178,CN(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(CN3CCN(C)CC3)C=C2)=NC=C1Cl,"InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)",YUAALFPUEOYPNX-UHFFFAOYSA-N
DB15188,1088543-62-7,Livoletide,investigational,,,,,,,,,CHEMBL2029605,,AZP-531,,57341282,[H][C@@]12CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(O)=O)NC2=O)C(C)C,"InChI=1S/C40H63N15O13/c1-19(2)31-38(67)51-23(8-11-29(42)58)34(63)53-26(17-56)39(68)55-14-4-6-27(55)37(66)50-24(9-12-30(59)60)33(62)52-25(15-20-16-45-18-47-20)36(65)49-22(7-10-28(41)57)32(61)48-21(35(64)54-31)5-3-13-46-40(43)44/h16,18-19,21-27,31,56H,3-15,17H2,1-2H3,(H2,41,57)(H2,42,58)(H,45,47)(H,48,61)(H,49,65)(H,50,66)(H,51,67)(H,52,62)(H,53,63)(H,54,64)(H,59,60)(H4,43,44,46)/t21-,22-,23-,24-,25-,26-,27-,31-/m0/s1",JXPWLIYXIWGWSA-CLBRJLNISA-N
DB15189,202590-98-5,Birabresib,investigational,,,,,,6JE,,ZINC000003960759,CHEMBL3581647,50092312,BIRABRESIB,191051,9936746,CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(O)C=C1)N=C2C1=CC=C(Cl)C=C1,"InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1",GNMUEVRJHCWKTO-FQEVSTJZSA-N
DB15190,1195065-29-2,GLPG-0259,investigational,,,,,,,,ZINC000116548317,,,GLPG0259,,44462738,CC(C)N1C[C@@H]2C[C@H]1CN2C1=CC=C(NC2=NC=C(N3N=CN=C23)C2=COC(=C2)C(N)=O)C=C1,"InChI=1S/C24H26N8O2/c1-14(2)30-10-19-8-18(30)11-31(19)17-5-3-16(4-6-17)29-23-24-27-13-28-32(24)20(9-26-23)15-7-21(22(25)33)34-12-15/h3-7,9,12-14,18-19H,8,10-11H2,1-2H3,(H2,25,33)(H,26,29)/t18-,19-/m0/s1",YBFGSJUVEOYPIS-OALUTQOASA-N
DB15191,2070931-57-4,MAX-40279,investigational,,,,,,,,,CHEMBL4297470,,MAX-40279,,126495573,COC1=CC(F)=CC=C1C1=C(C)SC2=CN=C(NC3=CN(N=C3)C3CCNCC3)N=C12,"InChI=1S/C22H23FN6OS/c1-13-20(17-4-3-14(23)9-18(17)30-2)21-19(31-13)11-25-22(28-21)27-15-10-26-29(12-15)16-5-7-24-8-6-16/h3-4,9-12,16,24H,5-8H2,1-2H3,(H,25,27,28)",AVIOBQFPAGEICQ-UHFFFAOYSA-N
DB15192,948845-91-8,ABT-288,investigational,,,,,,,,ZINC000118827084,CHEMBL4527011,50533199,,,24743471,CN1C[C@H]2CCN([C@H]2C1)C1=CC=C(C=C1)C1=CC=C(C=C1)N1N=CC=CC1=O,"InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1",GNIRITULTPTAQW-KNQAVFIVSA-N
DB15193,1392312-45-6,BMS-955176,investigational,,,,,,,,ZINC000653825436,CHEMBL3827379,50450015,GSK-3532795,,60152109,CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC=C(C=C6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1,"InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1",XDMUFNNPLXHNKA-ZTESCHFWSA-N
DB15194,1686108-82-6,Cotadutide,investigational,,,,,,,,,CHEMBL4297630,,COTADUTIDE,,138687219,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(O)=O)C(O)=O,"InChI=1S/C167H252N42O55/c1-13-14-15-16-17-18-19-20-21-22-23-24-31-47-125(219)186-109(165(263)264)53-58-124(218)175-62-35-34-44-102(189-153(251)116(72-131(228)229)201-161(259)122(83-213)206-164(262)137(92(12)215)209-157(255)114(68-94-40-29-26-30-41-94)202-163(261)136(91(11)214)207-127(221)78-181-142(240)105(52-57-123(169)217)190-158(256)119(80-210)203-141(239)100(168)71-97-76-174-84-182-97)146(244)204-120(81-211)159(257)193-108(56-61-130(226)227)148(246)197-112(69-95-48-50-98(216)51-49-95)151(249)195-111(66-86(4)5)150(248)200-118(74-133(232)233)155(253)205-121(82-212)160(258)192-107(55-60-129(224)225)147(245)188-103(45-36-63-176-166(170)171)143(241)184-89(9)139(237)187-104(46-37-64-177-167(172)173)145(243)199-117(73-132(230)231)154(252)198-113(67-93-38-27-25-28-39-93)156(254)208-135(87(6)7)162(260)185-90(10)140(238)194-115(70-96-75-178-101-43-33-32-42-99(96)101)152(250)196-110(65-85(2)3)149(247)191-106(54-59-128(222)223)144(242)183-88(8)138(236)180-77-126(220)179-79-134(234)235/h25-30,32-33,38-43,48-51,75-76,84-92,100,102-122,135-137,178,210-216H,13-24,31,34-37,44-47,52-74,77-83,168H2,1-12H3,(H2,169,217)(H,174,182)(H,175,218)(H,179,220)(H,180,236)(H,181,240)(H,183,242)(H,184,241)(H,185,260)(H,186,219)(H,187,237)(H,188,245)(H,189,251)(H,190,256)(H,191,247)(H,192,258)(H,193,257)(H,194,238)(H,195,249)(H,196,250)(H,197,246)(H,198,252)(H,199,243)(H,200,248)(H,201,259)(H,202,261)(H,203,239)(H,204,244)(H,205,253)(H,206,262)(H,207,221)(H,208,254)(H,209,255)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,263,264)(H4,170,171,176)(H4,172,173,177)/t88-,89-,90-,91+,92+,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,135-,136-,137-/m0/s1",YEKUUBPJRPXMBM-PTCFZACGSA-N
DB15195,1239011-83-6,Mibenratide,investigational,,,,,,,,,,,,,,CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N2,"InChI=1S/C87H129N27O30S2/c1-40(2)67-84(143)103-49(23-25-61(89)117)70(129)98-42(4)69(128)104-54(34-64(121)122)77(136)101-50(24-26-63(119)120)71(130)97-41(3)68(127)99-47(16-10-28-95-86(91)92)72(131)100-48(17-11-29-96-87(93)94)74(133)111-58-38-145-146-39-59(82(141)110-57(37-115)80(139)108-55(35-65(123)124)78(137)105-52(79(138)113-67)31-43-13-6-5-7-14-43)112-73(132)46(15-8-9-27-88)102-83(142)60-18-12-30-114(60)85(144)56(36-66(125)126)109-76(135)53(33-62(90)118)107-75(134)51(106-81(58)140)32-44-19-21-45(116)22-20-44/h5-7,13-14,19-22,40-42,46-60,67,115-116H,8-12,15-18,23-39,88H2,1-4H3,(H2,89,117)(H2,90,118)(H,97,130)(H,98,129)(H,99,127)(H,100,131)(H,101,136)(H,102,142)(H,103,143)(H,104,128)(H,105,137)(H,106,140)(H,107,134)(H,108,139)(H,109,135)(H,110,141)(H,111,133)(H,112,132)(H,113,138)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H4,91,92,95)(H4,93,94,96)/t41-,42?,46?,47-,48?,49-,50-,51-,52-,53?,54-,55-,56-,57?,58-,59-,60-,67-/m0/s1",CQXYENUJCPYPTI-YXJUDSKISA-N
DB15197,676128-63-5,RSV-604,investigational,,,,,,,,ZINC000003986763,CHEMBL223402,,RSV604,,5279172,FC1=C(NC(=O)N[C@H]2N=C(C3=CC=CC=C3)C3=C(NC2=O)C=CC=C3)C=CC=C1,"InChI=1S/C22H17FN4O2/c23-16-11-5-7-13-18(16)25-22(29)27-20-21(28)24-17-12-6-4-10-15(17)19(26-20)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H2,25,27,29)/t20-/m1/s1",MTPVBMVUENFFLL-HXUWFJFHSA-N
DB15198,5653-80-5,Dextromethadone,investigational,,,,,,,,ZINC000001530707,CHEMBL350719,50223640,ESMETHADONE,167308,643985,CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1",USSIQXCVUWKGNF-KRWDZBQOSA-N
DB15199,1438492-26-2,Ciraparantag,investigational,,,,,,,,,CHEMBL3544919,,PER977,,71576543,N[C@@H](CCCNC(N)=N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCNC(N)=N)CC1,"InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)/t17-,18-/m0/s1",HRDUUSCYRPOMSO-ROUUACIJSA-N
DB15200,851373-13-2,Bixalomer,investigational,,,,,,,,,,,,,,,,
DB15201,542-40-5,Norbixin,investigational,,,,,,,,,CHEMBL1602127,,,7623,5281249,C\C(\C=C\C=C(/C)\C=C\C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)=O,"InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+",ZVKOASAVGLETCT-UOGKPENDSA-N
DB15202,7574-44-9,Fluoroacetic acid F-18,investigational,,,,,,,,,,,,,450656,OC(=O)C[18F],"InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)/i3-1",QEWYKACRFQMRMB-KTXUZGJCSA-N
DB15203,871824-55-4,JNJ-26489112,investigational,,,,,,,,,CHEMBL3092995,50444089,JNJ-26489112,,11616111,NS(=O)(=O)NC[C@H]1COC2=C(O1)C=CC(Cl)=C2,"InChI=1S/C9H11ClN2O4S/c10-6-1-2-8-9(3-6)15-5-7(16-8)4-12-17(11,13)14/h1-3,7,12H,4-5H2,(H2,11,13,14)/t7-/m0/s1",KXSAIQPPGSSNKX-ZETCQYMHSA-N
DB15204,351227-64-0,Fosravuconazole,investigational,,,,,,,,ZINC000001553335,CHEMBL333325,,FOSRAVUCONAZOLE,34549,9807507,C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@@](CN1C=NC=N1)(OCOP(O)(O)=O)C1=CC=C(F)C=C1F,"InChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1",SYTNEMZCCLUTNX-NPMXOYFQSA-N
DB15205,193273-66-4,Capromorelin,investigational,,,,1986787,,,,ZINC000004393135,CHEMBL113313,50083974,"CP-424,391",,216208,CN1N=C2CCN(C[C@@]2(CC2=CC=CC=C2)C1=O)C(=O)[C@@H](COCC1=CC=CC=C1)NC(=O)C(C)(C)N,"InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1",KVLLHLWBPNCVNR-SKCUWOTOSA-N
DB15206,1496551-77-9,Uprifosbuvir,investigational,,,,,,,,,CHEMBL3833371,,MK-3682,,90055716,CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(Cl)[C@@H]1O)OC1=CC=CC=C1,"InChI=1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1",SFPFZQKYPOWCSI-KHFYHRBSSA-N
DB15207,1632006-28-0,Esaxerenone,investigational,,,,,,E6R,,ZINC000043200720,CHEMBL2181932,50398059,,,25052023,CC1=C(N(CCO)C=C1C(=O)NC1=CC=C(C=C1)S(C)(=O)=O)C1=C(C=CC=C1)C(F)(F)F,"InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)",NOSNHVJANRODGR-UHFFFAOYSA-N
DB15208,1283095-70-4,NOP-1A,investigational,,,,,,,,ZINC000072317631,CHEMBL2088033,50400872,NOP-1A,,52951810,CNC(=O)[C@H](CN1CCC2(CC1)OCCC1=C2SC(F)=C1)CC1=CC=CC=C1F,"InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1",MZBCQWLYUQJXKA-KRWDZBQOSA-N
DB15209,719272-79-4,MK-0736,investigational,,,,,,,,ZINC000003960659,CHEMBL1761322,50340401,MK-0736,,22591684,CCS(=O)(=O)CCCC12CCC(CC1)(CC2)C1=NN=C(N1C)C1=CC=CC=C1C(F)(F)F,"InChI=1S/C23H30F3N3O2S/c1-3-32(30,31)16-6-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-8H,3,6,9-16H2,1-2H3",ORQZQBUNAMJFCY-UHFFFAOYSA-N
DB15210,163515-35-3,Chlorotoxin,investigational,,,,,,,,,,,,,,,,
DB15211,1831098-91-9,Duvortuxizumab,investigational,,,,,,,,,,,,,,,,
DB15212,848259-27-8,Pemafibrate,investigational,,,,,,P7F,5248,,CHEMBL247951,50214899,PEMAFIBRATE,,11526038,CC[C@@H](OC1=CC(CN(CCCOC2=CC=C(OC)C=C2)C2=NC3=C(O2)C=CC=C3)=CC=C1)C(O)=O,"InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1",ZHKNLJLMDFQVHJ-RUZDIDTESA-N
DB15213,79039-56-8,25-desacetylrifapentine,investigational,,,,,,,,,,,,,137699399,CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(CC4)C4CCCC4)=C(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)C(O)=C2C(O)=C3C,"InChI=1S/C45H62N4O11/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-49-19-17-48(18-20-49)29-14-9-10-15-29)40(54)32-33(41(35)55)39(53)28(6)42-34(32)43(56)45(7,60-42)59-21-16-31(58-8)25(3)37(51)27(5)38(52)26(4)36(23)50/h11-13,16,21-23,25-27,29,31,36-38,50-55H,9-10,14-15,17-20H2,1-8H3,(H,47,57)/b12-11-,21-16-,24-13-,46-22+/t23-,25+,26+,27-,31-,36-,37+,38+,45-/m0/s1",LPUNEQQTZOWCNO-WEOUFWGLSA-N
DB15214,1622180-31-7,BMS-986104,investigational,,,,,,,,,CHEMBL3806158,,BMS-986104,,77050638,CCCCCC[C@@H]1CCC2=C(C1)C=CC(=C2)[C@H]1CC[C@](N)(CO)C1,"InChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3/t17-,21+,22-/m1/s1",BPMMYKAHRIEVDH-VOQZNFBZSA-N
DB15215,151276-95-8,KRN-5500,investigational,,,,,,,,,CHEMBL4296683,,,,6440176,CCCCCCCCC\C=C\C=C\C(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](NC2=C3N=CNC3=NC=N2)O[C@H]1[C@@H](O)CO,"InChI=1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21,23-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+/t18-,21+,23+,24+,25-,28-/m0/s1",LQIPDFIUPOYMPR-BKYURJJWSA-N
DB15216,9005-82-7,Amylose,investigational,,,,,,,,,,,,,,,,
DB15217,100040-31-1,Gastric inhibitory polypeptide,investigational,,,,,,,,,,,,,,,,
DB15218,2096328-94-6,Pozelimab,investigational,,,,,,,,,,,,,,,,
DB15219,1849590-01-7,Tomivosertib,investigational,,,,,,N45,,ZINC000575623807,CHEMBL4073443,50263263,TOMIVOSERTIB,,118598754,CC1=C2N(C(=O)C(NC3=CC(N)=NC=N3)=C1)C1(CCCCC1)NC2=O,"InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)",HKTBYUWLRDZAJK-UHFFFAOYSA-N
DB15220,1164115-89-2,Seliforant,investigational,,,,,,,,,,,,,44126305,CNC1CN(C1)C1=CC(N)=NC(CC(C)C)=N1,"InChI=1S/C12H21N5/c1-8(2)4-11-15-10(13)5-12(16-11)17-6-9(7-17)14-3/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)",QRBVUFXEMHNIDB-UHFFFAOYSA-N
DB15221,1612755-71-1,PF-06260414,investigational,,,,,,,,ZINC000143442728,CHEMBL4297476,,PF-06260414,,76071881,C[C@@H]1CNS(=O)(=O)N(C1)C1=CC2=CC=NC(C#N)=C2C=C1,"InChI=1S/C14H14N4O2S/c1-10-8-17-21(19,20)18(9-10)12-2-3-13-11(6-12)4-5-16-14(13)7-15/h2-6,10,17H,8-9H2,1H3/t10-/m1/s1",ZKAVFOXYJCREBQ-SNVBAGLBSA-N
DB15222,1350735-70-4,GS-6620,investigational,,,,,,,,ZINC000150606858,CHEMBL3120793,,GS-6620,,54759694,CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3N2N=CN=C3N)[C@](C)(O)[C@@H]1OC(=O)C(C)C)OC1=CC=CC=C1,"InChI=1S/C29H37N6O9P/c1-17(2)26(36)42-24-22(43-29(15-30,28(24,6)38)23-13-12-21-25(31)32-16-33-35(21)23)14-40-45(39,44-20-10-8-7-9-11-20)34-19(5)27(37)41-18(3)4/h7-13,16-19,22,24,38H,14H2,1-6H3,(H,34,39)(H2,31,32,33)/t19-,22+,24+,28+,29-,45-/m0/s1",YAAQYJCOIFNMKX-RSTNYOGXSA-N
DB15223,1664355-28-5,Flotetuzumab,investigational,,,,,,,,,,,,,,,,
DB15224,1263384-43-5,Lisavanbulin,investigational,,,,,,,,,CHEMBL4297595,,MICROTUBULE-TARGETED AGENT BAL101553,,45259014,NCCCC[C@H](N)C(=O)NC1=CC=C(C=C1)C(=O)CN1C2=C(C=CC=C2)N=C1C1=NON=C1NCCC#N,"InChI=1S/C26H29N9O3/c27-13-4-3-6-19(29)26(37)31-18-11-9-17(10-12-18)22(36)16-35-21-8-2-1-7-20(21)32-25(35)23-24(34-38-33-23)30-15-5-14-28/h1-2,7-12,19H,3-6,13,15-16,27,29H2,(H,30,34)(H,31,37)/t19-/m0/s1",NIPZLALJRAHABJ-IBGZPJMESA-N
DB15225,2055640-86-1,Mitazalimab,investigational,,,,,,,,,,,,,,,,
DB15226,1544300-84-6,Dasiglucagon,"['approved', 'investigational']","['34223944', '33934456', '12626323', '32644621']",,,2535233,,,5447,,,,,,,,,
DB15227,1351636-18-4,Tirabrutinib,investigational,,,,,,,5423,ZINC000072318699,CHEMBL4071161,194087,TIRABRUTINIB,,54755438,CC#CC(=O)N1CC[C@H](C1)N1C(=O)N(C2=C(N)N=CN=C12)C1=CC=C(OC2=CC=CC=C2)C=C1,"InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1",SEJLPXCPMNSRAM-GOSISDBHSA-N
DB15228,110539-97-4,Avidin,investigational,,,,,,,,,,,,,,,,
DB15229,1204535-44-3,CNV-2197944,investigational,,,,,,,,,,,,,44595848,C[C@H]1CN(CCN1C(=O)C1=CC=CN=C1C)S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C19H20F3N3O3S/c1-13-12-24(10-11-25(13)18(26)17-4-3-9-23-14(17)2)29(27,28)16-7-5-15(6-8-16)19(20,21)22/h3-9,13H,10-12H2,1-2H3/t13-/m0/s1",BLFJGFDZMABYMY-ZDUSSCGKSA-N
DB15230,97886-45-8,Dithiopyr,investigational,,,,,,,,ZINC000002564885,CHEMBL1902931,,,81987,91757,CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F,"InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3",YUBJPYNSGLJZPQ-UHFFFAOYSA-N
DB15231,1445179-97-4,Brimapitide,investigational,,,,,,,,,CHEMBL4297650,,BRIMAPITIDE,,90479374,CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O,"InChI=1S/C164H286N66O40/c1-84(2)77-106(217-139(254)108(79-89-33-10-9-11-34-89)220-146(261)112-48-28-72-226(112)153(268)105(55-58-119(171)236)216-148(263)123(86(5)6)222-147(262)115-51-29-73-227(115)151(266)103(45-25-69-199-163(188)189)214-142(257)110(83-231)221-137(252)100(53-56-117(169)234)202-126(241)90(168)80-122(239)240)138(253)219-109(81-120(172)237)140(255)218-107(78-85(3)4)141(256)223-124(87(7)232)149(264)224-125(88(8)233)155(270)229-75-31-50-114(229)144(259)212-99(44-24-68-198-162(186)187)135(250)213-102(37-14-17-61-167)150(265)225-71-27-47-111(225)145(260)215-104(46-26-70-200-164(190)191)152(267)230-76-32-52-116(230)154(269)228-74-30-49-113(228)143(258)211-98(43-23-67-197-161(184)185)134(249)208-95(40-20-64-194-158(178)179)131(246)207-97(42-22-66-196-160(182)183)133(248)210-101(54-57-118(170)235)136(251)209-96(41-21-65-195-159(180)181)132(247)206-94(39-19-63-193-157(176)177)130(245)205-93(36-13-16-60-166)129(244)204-92(35-12-15-59-165)128(243)203-91(38-18-62-192-156(174)175)127(242)201-82-121(173)238/h9-11,33-34,84-88,90-116,123-125,231-233H,12-32,35-83,165-168H2,1-8H3,(H2,169,234)(H2,170,235)(H2,171,236)(H2,172,237)(H2,173,238)(H,201,242)(H,202,241)(H,203,243)(H,204,244)(H,205,245)(H,206,247)(H,207,246)(H,208,249)(H,209,251)(H,210,248)(H,211,258)(H,212,259)(H,213,250)(H,214,257)(H,215,260)(H,216,263)(H,217,254)(H,218,255)(H,219,253)(H,220,261)(H,221,252)(H,222,262)(H,223,256)(H,224,264)(H,239,240)(H4,174,175,192)(H4,176,177,193)(H4,178,179,194)(H4,180,181,195)(H4,182,183,196)(H4,184,185,197)(H4,186,187,198)(H4,188,189,199)(H4,190,191,200)/t87-,88-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,123+,124+,125+/m0/s1",BAAXVYBAMNDCIB-BMCUWHFPSA-N
DB15232,1439399-58-2,Telaglenastat,investigational,,,,,,,,ZINC000169698697,CHEMBL3639788,109086,CB-839,,71577426,FC(F)(F)OC1=CC(CC(=O)NC2=NN=C(CCCCC3=NN=C(NC(=O)CC4=NC=CC=C4)S3)C=C2)=CC=C1,"InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)",PRAAPINBUWJLGA-UHFFFAOYSA-N
DB15233,1703793-34-3,Avapritinib,"['approved', 'investigational']","['31205499', '31117741']",,,2272107,,,5379,,CHEMBL4204794,469269,AYVAKIT,,118023034,CN1C=C(C=N1)C1=CN2N=CN=C(N3CCN(CC3)C3=NC=C(C=N3)[C@@](C)(N)C3=CC=C(F)C=C3)C2=C1,"InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1",DWYRIWUZIJHQKQ-SANMLTNESA-N
DB15234,2159141-27-0,Semorinemab,investigational,,,,,,,,,,,,,,,,
DB15235,1382469-39-7,Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone,investigational,,,,,,,,ZINC000072317804,CHEMBL2203744,,,,57380301,CN(C1CCCCC1)C(=S)NN=C(C1=CC=CC=N1)C1=NC=CC=C1,"InChI=1S/C19H23N5S/c1-24(15-9-3-2-4-10-15)19(25)23-22-18(16-11-5-7-13-20-16)17-12-6-8-14-21-17/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25)",GNLZNQJBZNOUBM-UHFFFAOYSA-N
DB15236,2438-80-4,Fucose,investigational,,,,2466731,,,,ZINC000100015850,,,,48204,3034656,C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1",PNNNRSAQSRJVSB-KCDKBNATSA-N
DB15237,222727-43-7,Fluciclovine,investigational,,,,2571859,,,,ZINC000100070937,CHEMBL1908917,,FLUCICLOVINE F 18,176400,,N[C@]1(C[C@H](F)C1)C(O)=O,"InChI=1S/C5H8FNO2/c6-3-1-5(7,2-3)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5-",NTEDWGYJNHZKQW-IWLYVCSRSA-N
DB15238,1628732-62-6,Olinciguat,investigational,,,,,,,,,CHEMBL4297616,321744,IW1701,,90445883,NC(=O)[C@](O)(CNC1=C(F)C=NC(=N1)C1=NN(CC2=C(F)C=CC=C2)C(=C1)C1=NOC=C1)C(F)(F)F,"InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1",YWQFJNWMWZMXRW-HXUWFJFHSA-N
DB15239,1953130-87-4,PTI-428,investigational,,,,,,,,,CHEMBL4297479,,PTI-428,,,C[C@@H](O)C1=NN=C(O1)[C@H]1C[C@@H](C1)NC(=O)C1=CC(=NO1)C1=CC=CC=C1,"InChI=1S/C18H18N4O4/c1-10(23)17-20-21-18(25-17)12-7-13(8-12)19-16(24)15-9-14(22-26-15)11-5-3-2-4-6-11/h2-6,9-10,12-13,23H,7-8H2,1H3,(H,19,24)/t10-,12-,13-/m1/s1",XPEHHUISIBFLHX-RAIGVLPGSA-N
DB15240,1791416-49-3,Elezanumab,investigational,,,,,,,,,,,,,,,,
DB15241,1119361-12-4,Methylsamidorphan,investigational,,,,,,,,,CHEMBL2364619,,RDC-1036,,71484494,C[N@+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1CC1=C3C(O)=C(C=C1)C(N)=O,"InChI=1S/C22H28N2O4/c1-24(12-13-2-3-13)9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,13,17,28H,2-3,6-12H2,1H3,(H2-,23,26,27)/p+1/t17-,21-,22-,24-/m1/s1",ATCVVCBJNHXIEX-ZAHKBLQYSA-O
DB15242,668455-28-5,MK-0533,investigational,,,,,,,,ZINC000049878561,CHEMBL490029,50267991,MK-0533,,11678534,CC[C@@H](OC1=CC(=CC=C1)N1C(C)=C(C(=O)C2=CC=C(OC)C=C2)C2=CC=C(OC(F)(F)F)C=C12)C(O)=O,"InChI=1S/C28H24F3NO6/c1-4-24(27(34)35)37-20-7-5-6-18(14-20)32-16(2)25(26(33)17-8-10-19(36-3)11-9-17)22-13-12-21(15-23(22)32)38-28(29,30)31/h5-15,24H,4H2,1-3H3,(H,34,35)/t24-/m1/s1",STWITCBWQHTJFJ-XMMPIXPASA-N
DB15243,149402-51-7,2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a,investigational,,,,,,,,,CHEMBL500853,,,,,CCCCCCOC(C)C1=C2NC(\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)C3=C4N\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4C(=O)C3)=C1C,"InChI=1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,41,43H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1",PVXGCBZIVFCMJK-NMWXTPPCSA-N
DB15244,873438-88-1,NM-404 I-131,investigational,,,,,,,,,CHEMBL4297495,,,,16045365,C[N+](C)(C)CCOP([O-])(=O)OCCCCCCCCCCCCCCCCCCC1=CC=C([131I])C=C1,"InChI=1S/C29H53INO4P/c1-31(2,3)25-27-35-36(32,33)34-26-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-28-21-23-29(30)24-22-28/h21-24H,4-20,25-27H2,1-3H3/i30+4",ZOAIEFWMQLYMTF-YRKXUXMHSA-N
DB15245,1928707-56-5,Olorofim,investigational,,,,,,,,,CHEMBL4297609,50526857,F901318,,91885568,CN1C(C)=CC(=C1C(=O)C(=O)NC1=CC=C(C=C1)N1CCN(CC1)C1=NC=C(F)C=N1)C1=CC=CC=C1,"InChI=1S/C28H27FN6O2/c1-19-16-24(20-6-4-3-5-7-20)25(33(19)2)26(36)27(37)32-22-8-10-23(11-9-22)34-12-14-35(15-13-34)28-30-17-21(29)18-31-28/h3-11,16-18H,12-15H2,1-2H3,(H,32,37)",SUFPWYYDCOKDLL-UHFFFAOYSA-N
DB15246,96574-01-5,Salvianolic acid A,investigational,2173008,,,,,,,ZINC000004098737,CHEMBL457077,50414250,SALVIANOLIC ACID A,9017,5281793,OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=C(/C=C/C2=CC(O)=C(O)C=C2)C(O)=C(O)C=C1,"InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1",YMGFTDKNIWPMGF-UCPJVGPRSA-N
DB15247,1013920-15-4,Vorolanib,investigational,,,,,,,,,CHEMBL4297587,,VOROLANIB,,59215954,CN(C)C(=O)N1CC[C@@H](C1)NC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C,"InChI=1S/C23H26FN5O3/c1-12-19(10-17-16-9-14(24)5-6-18(16)27-21(17)30)25-13(2)20(12)22(31)26-15-7-8-29(11-15)23(32)28(3)4/h5-6,9-10,15,25H,7-8,11H2,1-4H3,(H,26,31)(H,27,30)/b17-10-/t15-/m0/s1",KMIOJWCYOHBUJS-HAKPAVFJSA-N
DB15248,2012558-47-1,Bulevirtide,"['approved', 'investigational']","['26134842', '31840863', '32926353', '22161394']",,,,,,,,,,,,,,,
DB15249,1263814-52-3,MK-6325,investigational,,,,,,,,,CHEMBL4297304,,MK 6325,,121596640,COC1=CC2=C(C=C1)N=C1CCCCC[C@@H]3CCC[C@H]3OC(=O)N[C@H]3CCCCC\C=C\[C@@H]4C[C@]4(NC(=O)[C@@H]4C[C@H](CN4C3=O)OC1=N2)C(=O)NS(=O)(=O)C1(C)CC1,"InChI=1S/C42H56N6O9S/c1-41(20-21-41)58(53,54)47-39(51)42-24-27(42)14-8-4-3-5-9-16-32-38(50)48-25-29(23-34(48)36(49)46-42)56-37-31(43-30-19-18-28(55-2)22-33(30)44-37)15-10-6-7-12-26-13-11-17-35(26)57-40(52)45-32/h8,14,18-19,22,26-27,29,32,34-35H,3-7,9-13,15-17,20-21,23-25H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b14-8+/t26-,27-,29-,32+,34+,35-,42-/m1/s1",BLFKRFGLQFYXDF-WAZRELCSSA-N
DB15250,698394-73-9,Vercirnon,investigational,,,,,,79K,,ZINC000038562120,CHEMBL2178578,50398334,CCX-282-B,,10343454,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C=C(Cl)C=C1)C(=O)C1=CC=[N+]([O-])C=C1,"InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3",JRWROCIMSDXGOZ-UHFFFAOYSA-N
DB15251,37691-11-5,Antipain,experimental,"['20926390', '30795632', '2736713', '28031079', '4559651', '9726021']",,,,,,,ZINC000008716755,CHEMBL1230912,,,,37817,CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O,"InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18-,19-,20-,21-/m0/s1",SDNYTAYICBFYFH-TUFLPTIASA-N
DB15252,1476039-58-3,Nemolizumab,investigational,,,,,,,,,,,,,,,,
DB15253,1453067-91-8,Bleselumab,investigational,,,,,,,,,,,,,,,,
DB15254,946128-88-7,RO-5126766 free base,investigational,,,,,,CHU,,ZINC000068247388,CHEMBL3264002,50010462,RO-5126766,78825,16719221,CNS(=O)(=O)NC1=C(F)C(CC2=C(C)C3=C(OC2=O)C=C(OC2=NC=CC=N2)C=C3)=CC=N1,"InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)",LMMJFBMMJUMSJS-UHFFFAOYSA-N
DB15256,1345410-31-2,Reldesemtiv,investigational,,,,,,,,,CHEMBL4297600,,CK-2127107,,,NC(=O)C1=CN(C=C1)C1=CN=C(NC[C@@]2(C[C@H](F)C2)C2=NC=CC=C2F)N=C1,"InChI=1S/C19H18F2N6O/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26)/t13-,19-",MQXWPWOCXGARRK-HJGJAMNPSA-N
DB15257,1398568-47-2,Milademetan,investigational,,,,,,,,,CHEMBL4292264,50467678,DS 3032B,,73297272,CC1(C)CCC2(CC1)N[C@H]([C@H](C1=C(F)C(Cl)=NC=C1)[C@]21C(=O)NC2=CC(Cl)=CC=C12)C(=O)N[C@@H]1CC[C@H](OC1)C(N)=O,"InChI=1S/C30H34Cl2FN5O4/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41)/t16-,20+,21+,23-,30-/m1/s1",RYAYYVTWKAOAJF-QISPRATLSA-N
DB15258,1947415-68-0,Imlifidase,"['approved', 'investigational']","['27822135', '33058042', '29561066', '26177518', '25062962']",L04AA41,D11470,,,,,,,,,,,,,
DB15259,630112-41-3,VB-201,investigational,,,,,,,,,CHEMBL4297333,,VB-201,,45138527,CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OCCCCC(O)=O,"InChI=1S/C29H60NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-26-28(36-24-20-18-21-29(31)32)27-38-39(33,34)37-25-22-30(2,3)4/h28H,5-27H2,1-4H3,(H-,31,32,33,34)/t28-/m1/s1",JGGNOCUEWOGWPL-MUUNZHRXSA-N
DB15260,2031153-61-2,Iscalimab,investigational,,,,,,,,,,,,,,,,
DB15261,134605-64-4,Butafenacil,investigational,,,,,,,,ZINC000002563961,CHEMBL1867342,,,143863,11826859,CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC=C(Cl)C(=C1)C(=O)OC(C)(C)C(=O)OCC=C,"InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3",JEDYYFXHPAIBGR-UHFFFAOYSA-N
DB15262,1310460-85-5,Futuximab,investigational,,,,,,,,,,,,,,,,
DB15263,9002-71-5,Thyrotropin,investigational,,V04CJ01,,10579,,,,,,,,,,,,
DB15264,313651-33-1,PD-0299685,investigational,,,,,,,,,CHEMBL4297316,,PD 0299685,,10149052,CCC[C@@H](C)C[C@H](CN)CC(O)=O,"InChI=1S/C10H21NO2/c1-3-4-8(2)5-9(7-11)6-10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)/t8-,9+/m1/s1",KKXFMWXZXDUYBF-BDAKNGLRSA-N
DB15265,1373268-67-7,USL-311,investigational,,,,,,,,,CHEMBL4297449,,USL-311,,56961879,CC(C)N1CCC(CC1)N1CCCN(CC1)C1=CC=CC(=N1)C(=O)NC1=CC=NC=C1,"InChI=1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)",XNUNVQKARNSSEO-UHFFFAOYSA-N
DB15266,1096708-71-2,TAK-580,investigational,,,,,,QOP,,ZINC000043202464,CHEMBL3348923,209864,DAY-101,167672,25161177,C[C@@H](NC(=O)C1=C(Cl)C(N)=NC=N1)C1=NC=C(S1)C(=O)NC1=NC=C(Cl)C(=C1)C(F)(F)F,"InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1",VWMJHAFYPMOMGF-ZCFIWIBFSA-N
DB15267,1522433-40-4,Lesinidase alfa,investigational,,,,,,,,,,,,,,,,
DB15268,1518800-35-5,Afabicin,investigational,,,,,,,,,CHEMBL4297501,,AFABICIN,,72696796,CN(CC1=C(C)C2=CC=CC=C2O1)C(=O)\C=C\C1=CN=C2N(COP(O)(O)=O)C(=O)CCC2=C1,"InChI=1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+",HFYMDQMXVPJNTH-VQHVLOKHSA-N
DB15269,1251528-23-0,ALK-4290,investigational,,,,,,,,ZINC000068247095,CHEMBL3670800,123072,BI144807,,59534386,CN(C)C(=O)C1=CC(NC(=O)[C@H]2CCC(=O)N2C2CCN(CC3=CC=C(Cl)C(C)=C3)CC2)=NC(C)=C1,"InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1",DWKNOLCXIFYNFV-HSZRJFAPSA-N
DB15270,1821402-21-4,Efgartigimod alfa,"['approved', 'investigational']","['32644757', '33197578']",,,2587717,,,,,,,,,,,,
DB15271,1690318-25-2,Crizanlizumab,"['approved', 'investigational']","['16478695', '30559624', '27959701', '15389672', '28653357', '31507334', '12672732']",B06AX01,,2262421,,,,,,,,,,,,
DB15272,433922-67-9,Edratide,investigational,,,,,,,,,,,,,16214485,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(O)=O,"InChI=1S/C111H149N27O28/c1-5-59(3)94(107(163)123-57-93(150)151)135-103(159)82(49-64-53-119-72-22-11-8-19-69(64)72)131-99(155)77(38-41-92(148)149)127-98(154)76(37-40-91(146)147)125-89(144)55-121-96(152)74(24-13-14-42-112)124-90(145)56-122-106(162)85-26-16-44-137(85)110(166)86-27-17-45-138(86)109(165)78(36-39-87(114)142)129-97(153)75(25-15-43-117-111(115)116)128-108(164)95(60(4)6-2)136-104(160)83(50-65-54-120-73-23-12-9-20-70(65)73)133-105(161)84(58-139)134-102(158)81(48-63-52-118-71-21-10-7-18-68(63)71)132-101(157)80(47-62-30-34-67(141)35-31-62)130-100(156)79(126-88(143)51-113)46-61-28-32-66(140)33-29-61/h7-12,18-23,28-35,52-54,59-60,74-86,94-95,118-120,139-141H,5-6,13-17,24-27,36-51,55-58,112-113H2,1-4H3,(H2,114,142)(H,121,152)(H,122,162)(H,123,163)(H,124,145)(H,125,144)(H,126,143)(H,127,154)(H,128,164)(H,129,153)(H,130,156)(H,131,155)(H,132,157)(H,133,161)(H,134,158)(H,135,159)(H,136,160)(H,146,147)(H,148,149)(H,150,151)(H4,115,116,117)/t59-,60-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-/m0/s1",VXXZQHUWZSRPAM-CDJUQFLLSA-N
DB15273,1061353-68-1,VS-4718,investigational,,,,,,,,ZINC000043207772,CHEMBL3040440,50440659,VS-4718,,25073775,CNC(=O)C1=CC=CC=C1NC1=CC(NC2=C(OC)C=C(C=C2)N2CCOCC2)=NC=C1C(F)(F)F,"InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32)",IGUBBWJDMLCRIK-UHFFFAOYSA-N
DB15274,,Pertussis vaccine,"['approved', 'investigational']",,,,1608803,,,,,,,,,,,,
DB15275,2060571-02-8,GDC-0077,investigational,,,,,,,,ZINC000669678973,CHEMBL4650215,295665,RO7113755,,124173720,C[C@H](NC1=CC=C2C3=NC(=CN3CCOC2=C1)N1[C@@H](COC1=O)C(F)F)C(N)=O,"InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1",SGEUNORSOZVTOL-CABZTGNLSA-N
DB15276,182253-77-6,PR1 leukemia peptide vaccine,investigational,,,,,,,,,,,,,,,,
DB15277,1807954-17-1,Gedivumab,investigational,,,,,,,,,,,,,,,,
DB15278,1600492-21-4,Marzeptacog alfa (activated),investigational,,,,,,,,,,,,,,,,
DB15279,218457-67-1,CB-103,investigational,,,,,,,,ZINC000000152719,CHEMBL1420319,87327,CB-103,,2735289,CC(C)(C)C1=CC=C(OC2=CC=C(N)C=N2)C=C1,"InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3",WHIWGRCYMQLLAO-UHFFFAOYSA-N
DB15280,1648796-29-5,Gimsilumab,investigational,,,,,,,,,,,,,,,,
DB15281,1453848-26-4,Ravoxertinib,investigational,,,,,,6QB,,ZINC000144904566,CHEMBL3544964,120095,GDC-0994,,71727581,CN1N=CC=C1NC1=NC=CC(=N1)C1=CC(=O)N(C=C1)[C@H](CO)C1=CC(F)=C(Cl)C=C1,"InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1",RZUOCXOYPYGSKL-GOSISDBHSA-N
DB15282,160388-43-2,Fluorofuranylnorprogesterone F-18,investigational,,,,,,,,,CHEMBL4297379,,,,15251064,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)C[18F])C1=CC=CO1,"InChI=1S/C25H29FO5/c1-24-9-8-17-16-7-5-15(27)11-14(16)4-6-18(17)19(24)12-22-25(24,21(28)13-26)31-23(30-22)20-3-2-10-29-20/h2-3,10-11,16-19,22-23H,4-9,12-13H2,1H3/t16-,17+,18+,19-,22+,23+,24-,25+/m0/s1/i26-1",VJKRBRUNEOHPBS-JQKUZGBFSA-N
DB15283,1874157-95-5,Tebentafusp,investigational,,,,,,,,,,,,,,,,
DB15284,120788-07-0,Sulopenem,investigational,,,,,,,,ZINC000005751655,CHEMBL1908305,,"CP-70,429",,9950244,[H][C@]12SC(S[C@H]3CC[S@@+]([O-])C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,"InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1",FLSUCZWOEMTFAQ-PRBGKLEPSA-N
DB15285,1350667-54-7,ARC-19499,investigational,,,,,,,,,,,,,,,,
DB15286,2095732-06-0,CB-1158,investigational,,,,,,,,,CHEMBL4218271,50511658,CB-1158,,131801114,C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O,"InChI=1S/C11H22BN3O5/c1-7(13)9(16)15-5-8(3-2-4-12(19)20)11(14,6-15)10(17)18/h7-8,19-20H,2-6,13-14H2,1H3,(H,17,18)/t7-,8-,11-/m0/s1",ZZJLMZYUGLJBSO-LAEOZQHASA-N
DB15287,1400699-64-0,Elismetrep,investigational,,,,,,,,ZINC000203668161,CHEMBL3682589,151677,MT-8554,,66548125,OC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=C(OC(F)(F)F)C=C1)C1=NC=C2C=CC=CC2=C1C1CC1,"InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)",CWEFDWIKLABKBX-UHFFFAOYSA-N
DB15288,760173-05-5,Etamicastat,investigational,,,,,,,,,CHEMBL1196088,,,,10450387,NCCC1=CNC(=S)N1[C@H]1COC2=C(C1)C=C(F)C=C2F,"InChI=1S/C14H15F2N3OS/c15-9-3-8-4-11(7-20-13(8)12(16)5-9)19-10(1-2-17)6-18-14(19)21/h3,5-6,11H,1-2,4,7,17H2,(H,18,21)/t11-/m1/s1",CWWWTTYMUOYSQA-LLVKDONJSA-N
DB15289,18457-55-1,Perillyl alcohol,investigational,,,,,,,,ZINC000003861538,CHEMBL236687,,PERILLYL ALCOHOL,10782,369312,CC(=C)[C@H]1CCC(CO)=CC1,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1",NDTYTMIUWGWIMO-SNVBAGLBSA-N
DB15290,1329602-23-4,Pegteograstim,investigational,,L03AA17,,,,,,,,,,,,,,
DB15291,1643368-58-4,BMS-986142,investigational,,,,,,73T,,ZINC000222995022,CHEMBL3900554,50194720,BMS-986142,,86582336,CN1C(=O)N(C(=O)C2=C1C(F)=CC=C2)C1=C(C)C(=CC=C1)C1=C2C3=C(C[C@H](CC3)C(C)(C)O)NC2=C(C=C1F)C(N)=O,"InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1",ZRYMMWAJAFUANM-INIZCTEOSA-N
DB15292,1883329-53-0,Foliglurax,investigational,,,,,,,,,CHEMBL4089083,50241580,FOLIGLURAX,,135565465,O\N=C1/C=C(OC2=C1C=C(CCCN1CCOCC1)C=C2)C1=CC2=C(C=CS2)C=N1,"InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2/b25-19+",ZTEDNASHAWNBKQ-NCELDCMTSA-N
DB15293,82159-09-9,Epalrestat,investigational,,,,,,,1021,ZINC000001533688,CHEMBL56337,50049730,DIEPALRESTAT CHOLINE,31539,1549120,C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/C1=CC=CC=C1,"InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-",CHNUOJQWGUIOLD-NFZZJPOKSA-N
DB15294,937273-04-6,SB-1578,investigational,,,,,,,,,CHEMBL2035185,50384879,SB-1578,,16750271,C(CN1CCCC1)OC1=C2COC\C=C\COCC3=CC=C(O3)C3=CC=NC(NC(C=C1)=C2)=N3,"InChI=1S/C26H30N4O4/c1-2-12-30(11-1)13-16-33-24-7-5-21-17-20(24)18-31-14-3-4-15-32-19-22-6-8-25(34-22)23-9-10-27-26(28-21)29-23/h3-10,17H,1-2,11-16,18-19H2,(H,27,28,29)/b4-3+",NNXDIGHYPZHXTR-ONEGZZNKSA-N
DB15295,1639417-53-0,Tenalisib,investigational,,,,,,,,,CHEMBL4297584,50512870,TENALISIB,,86291103,CC[C@H](NC1=C2N=CNC2=NC=N1)C1=C(C(=O)C2=CC=CC=C2O1)C1=CC=CC(F)=C1,"InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1",HDXDQPRPFRKGKZ-INIZCTEOSA-N
DB15296,870452-26-9,D-fluoromethyltyrosine F-18,investigational,,,,,,,,,CHEMBL4297357,,,,11579379,N[C@H](CC1=CC=C(OC[18F])C=C1)C(O)=O,"InChI=1S/C10H12FNO3/c11-6-15-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1/i11-1",GEBHVOHKNWLITQ-DEVVULMSSA-N
DB15297,1252637-35-6,Petesicatib,investigational,,,,,,,,,CHEMBL4297638,,RG7625,,59543597,CN1C=C(C=N1)C1=CC(=C(C=C1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F,"InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1",KXAAIORSMACJSI-AEFFLSMTSA-N
DB15298,2098790-40-8,Ontamalimab,investigational,,,,,,,,,,,,,,,,
DB15299,1352066-68-2,Navtemadlin,investigational,,,,,,,,ZINC000103248035,CHEMBL3125702,50448947,NAVTEMADLIN,,58573469,CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)C1=CC=CC(Cl)=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1",DRLCSJFKKILATL-YWCVFVGNSA-N
DB15300,1435-55-8,Hydroquinidine,investigational,,C01BA13,,27220,,,889,ZINC000003977899,CHEMBL531472,,,,91503,[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2CC)[C@@H](O)C1=CC=NC2=CC=C(OC)C=C12,"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m0/s1",LJOQGZACKSYWCH-LHHVKLHASA-N
DB15301,2223113-32-2,Bevifimod,investigational,,,,,,,,,,,,,,,,
DB15302,70763-62-1,2-fluorofucose,investigational,,,,,,,,ZINC000006030222,CHEMBL4297429,,2-FLUOROFUCOSE,,125766,C[C@H](O)[C@@H](O)[C@@H](O)[C@H](F)C=O,"InChI=1S/C6H11FO4/c1-3(9)5(10)6(11)4(7)2-8/h2-6,9-11H,1H3/t3-,4+,5+,6-/m0/s1",SQTFKIKSQNCWGJ-KCDKBNATSA-N
DB15303,1607793-29-2,Faricimab,investigational,"['26113211', '27742718', '21690412', '32785136', '31175342', '31695160']",,,,,,,,,,,,,,,
DB15304,9062-07-1,iota-Carrageenan,investigational,,,,2565488,,,,,,,,,,,,
DB15305,1825352-65-5,Risdiplam,"['approved', 'investigational']","['32668756', '30044619', '30302786', '31973611']",,,2390935,,,5407,,CHEMBL4297528,,RO7034067,,118513932,CC1=CN2N=C(C=C(C)C2=N1)C1=CC(=O)N2C=C(C=CC2=N1)N1CCNC2(CC2)C1,"InChI=1S/C22H23N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3",ASKZRYGFUPSJPN-UHFFFAOYSA-N
DB15306,1715924-11-0,MEDI-6469,investigational,,,,,,,,,,,,,,,,
DB15307,1200493-78-2,Atabecestat,investigational,,,,,,H3C,,,CHEMBL3916243,210070,JNJ-54861911,,68254185,C[C@]1(C=CSC(N)=N1)C1=CC(NC(=O)C2=NC=C(C=C2)C#N)=CC=C1F,"InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1",VLLFGVHGKLDDLW-SFHVURJKSA-N
DB15308,308362-25-6,Ridinilazole,investigational,,,,,,,,ZINC000113778168,CHEMBL3753858,50134759,SMT19969,,16659285,N1C2=CC(=CC=C2N=C1C1=CC=NC=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC=NC=C1,"InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30)",UHQFBTAJFNVZIV-UHFFFAOYSA-N
DB15310,1352608-82-2,Vactosertib,investigational,,,,,,,,ZINC000113391423,CHEMBL3260567,50015639,VACTOSERTIB,,54766013,CC1=NC(=CC=C1)C1=C(N=C(CNC2=C(F)C=CC=C2)N1)C1=CN2N=CN=C2C=C1,"InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)",FJCDSQATIJKQKA-UHFFFAOYSA-N
DB15311,916851-14-4,Davanat,investigational,,,,,,,,,,,,,,,,
DB15312,2066544-85-0,Orilanolimab,investigational,,,,,,,,,,,,,,,,
DB15313,946032-08-2,DAS-181,investigational,,,,,,,,,,,,,,,,
DB15314,926277-68-1,Modimelanotide,investigational,,,,,,,,,,,,,72941953,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O,"InChI=1S/C113H181N33O25S/c1-66(2)94(95(121)154)145-111(170)91-38-25-54-146(91)112(171)84(36-16-23-52-120)130-92(151)62-127-96(155)87(58-70-60-126-74-29-9-8-28-73(70)74)141-102(161)81(37-24-53-125-113(122)123)136-106(165)85(56-68-26-6-5-7-27-68)139-108(167)88(59-71-61-124-65-128-71)142-104(163)82(43-44-93(152)153)137-105(164)83(45-55-172-4)138-109(168)89(63-147)144-107(166)86(57-69-39-41-72(150)42-40-69)140-110(169)90(64-148)143-103(162)80(35-15-22-51-119)135-101(160)79(34-14-21-50-118)134-100(159)78(33-13-20-49-117)133-99(158)77(32-12-19-48-116)132-98(157)76(31-11-18-47-115)131-97(156)75(129-67(3)149)30-10-17-46-114/h5-9,26-29,39-42,60-61,65-66,75-91,94,126,147-148,150H,10-25,30-38,43-59,62-64,114-120H2,1-4H3,(H2,121,154)(H,124,128)(H,127,155)(H,129,149)(H,130,151)(H,131,156)(H,132,157)(H,133,158)(H,134,159)(H,135,160)(H,136,165)(H,137,164)(H,138,168)(H,139,167)(H,140,169)(H,141,161)(H,142,163)(H,143,162)(H,144,166)(H,145,170)(H,152,153)(H4,122,123,125)/t75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,94-/m0/s1",WHRVKPBBRZHWTN-ZHHKRVSMSA-N
DB15315,1312608-46-0,Coblopasvir,investigational,,,,,,,,,,,,,58316387,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C2=CN=C(N2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C2=C1OCO2,"InChI=1S/C41H50N8O8/c1-22(2)32(46-40(52)54-5)38(50)48-17-7-9-30(48)36-42-19-28(44-36)25-13-11-24(12-14-25)26-15-16-27(35-34(26)56-21-57-35)29-20-43-37(45-29)31-10-8-18-49(31)39(51)33(23(3)4)47-41(53)55-6/h11-16,19-20,22-23,30-33H,7-10,17-18,21H2,1-6H3,(H,42,44)(H,43,45)(H,46,52)(H,47,53)/t30-,31-,32-,33-/m0/s1",JBYJTCVXUMWTJJ-YRCZKMHPSA-N
DB15316,145701-23-1,Florasulam,investigational,,,,,,,,ZINC000038276325,CHEMBL3185236,,,82009,11700495,COC1=NC=C(F)C2=NC(=NN12)S(=O)(=O)NC1=C(F)C=CC=C1F,"InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3",QZXATCCPQKOEIH-UHFFFAOYSA-N
DB15317,116839-68-0,Posiphen,investigational,,,,,,,,,CHEMBL4297417,,ANVS401,,11249342,CN1CC[C@@]2(C)[C@@H]1N(C)C1=CC=C(OC(=O)NC3=CC=CC=C3)C=C21,"InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m0/s1",PBHFNBQPZCRWQP-AZUAARDMSA-N
DB15318,7440-00-8,Neodymium,investigational,,,,1311480,,,,,,,,33372,23934,[Nd],InChI=1S/Nd,QEFYFXOXNSNQGX-UHFFFAOYSA-N
DB15319,1071470-72-8,VM4-037,investigational,,,,,,,,,,,,,59552698,CC(C)[C@H](N1C=C(COC2=CC3=C(C=C2)N=C(S3)S(N)(=O)=O)N=N1)C(=O)N[C@@H](CC1=CC=C(OCCF)C=C1)C(O)=O,"InChI=1S/C26H29FN6O7S2/c1-15(2)23(24(34)29-21(25(35)36)11-16-3-5-18(6-4-16)39-10-9-27)33-13-17(31-32-33)14-40-19-7-8-20-22(12-19)41-26(30-20)42(28,37)38/h3-8,12-13,15,21,23H,9-11,14H2,1-2H3,(H,29,34)(H,35,36)(H2,28,37,38)/t21-,23-/m0/s1",QGYZPMXIVNIGKA-GMAHTHKFSA-N
DB15321,914382-60-8,Tefinostat,investigational,,,,,,,,ZINC000034775091,CHEMBL4297582,,TEFINOSTAT,,15940949,ONC(=O)CCCCCCC(=O)NC1=CC=C(CN[C@H](C(=O)OC2CCCC2)C2=CC=CC=C2)C=C1,"InChI=1S/C28H37N3O5/c32-25(14-6-1-2-7-15-26(33)31-35)30-23-18-16-21(17-19-23)20-29-27(22-10-4-3-5-11-22)28(34)36-24-12-8-9-13-24/h3-5,10-11,16-19,24,27,29,35H,1-2,6-9,12-15,20H2,(H,30,32)(H,31,33)/t27-/m0/s1",GLNWREBYRLDPQP-MHZLTWQESA-N
DB15322,2187368-16-5,Lacutamab,investigational,,,,,,,,,,,,,,,,
DB15323,865759-25-7,Trelagliptin,investigational,,,,,,6RL,5013,ZINC000034505198,CHEMBL1650443,50335784,SYR-472,134715,15983988,CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=CC(F)=CC=C2C#N)C1=O,"InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1",IWYJYHUNXVAVAA-OAHLLOKOSA-N
DB15324,1227170-74-2,ORM-13070 C-11,investigational,,,,,,,,,CHEMBL4297337,,,,46207731,[11CH3]OCC1=CC=CN=C1N1CCN(C[C@H]2COC3=CC=CC=C3O2)CC1,"InChI=1S/C20H25N3O3/c1-24-14-16-5-4-8-21-20(16)23-11-9-22(10-12-23)13-17-15-25-18-6-2-3-7-19(18)26-17/h2-8,17H,9-15H2,1H3/t17-/m0/s1/i1-1",VGIYMYGMVXPMKV-GWDMYEQXSA-N
DB15325,459842-29-6,ONO-8539,investigational,,,,,,,,,CHEMBL3912251,190563,ONO-8539,,23106477,CC(C)CN(C1=CC2=C(CCC2)C=C1OCC1=CC=C(C=C1C)C(O)=O)S(=O)(=O)C1=NC=CS1,"InChI=1S/C25H28N2O5S2/c1-16(2)14-27(34(30,31)25-26-9-10-33-25)22-12-18-5-4-6-19(18)13-23(22)32-15-21-8-7-20(24(28)29)11-17(21)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,29)",ALLLQQUASFFEKP-UHFFFAOYSA-N
DB15326,950834-06-7,CXL-1020,investigational,,,,,,,,,CHEMBL4297464,,CXL-1020,,52939580,CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NO,"InChI=1S/C7H9NO5S2/c1-14(10,11)6-4-2-3-5-7(6)15(12,13)8-9/h2-5,8-9H,1H3",RZRWBKKAFHXNEQ-UHFFFAOYSA-N
DB15327,1557267-42-1,Abivertinib,investigational,,,,,,,,ZINC000142081723,CHEMBL4297865,294480,AC0010MA,,72734520,CN1CCN(CC1)C1=C(F)C=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3C=CNC3=N2)C=C1,"InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)",UOFYSRZSLXWIQB-UHFFFAOYSA-N
DB15328,1374248-77-7,Ubrogepant,"['approved', 'investigational']","['31081399', '31291016', '31674221', '30475090']",,,2268216,,,5361,ZINC000095598454,CHEMBL2364638,361594,UBRELVY,,68748835,C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C42)C(=O)N1CC(F)(F)F)C1=CC=CC=C1,"InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1",DDOOFTLHJSMHLN-ZQHRPCGSSA-N
DB15329,133876-92-3,Nattokinase,investigational,,,,53553,,,,,,,,,,,,
DB15330,1296818-77-3,Nesvacumab,investigational,,,,,,,,,,,,,,,,
DB15331,1300724-82-6,Vocimagene amiretrorepvec,investigational,,,,,,,,,,,,,,,,
DB15332,1228284-45-4,Radavirsen,investigational,,,,,,,,,,,,,,,,
DB15333,942937-80-6,AZD-1386,investigational,,,,,,,,,,,,,23633673,C[C@H](NC(=O)CN1C=NC2=C1C(F)=C(F)C=C2)C1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C21H23F2N3O/c1-13(14-5-7-15(8-6-14)21(2,3)4)25-18(27)11-26-12-24-17-10-9-16(22)19(23)20(17)26/h5-10,12-13H,11H2,1-4H3,(H,25,27)/t13-/m0/s1",FPGNKXCEPARJDI-ZDUSSCGKSA-N
DB15334,491-80-5,Biochanin A,investigational,,,,,,QSO,,ZINC000018847037,CHEMBL131921,9461,,17574,5280373,COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3",WUADCCWRTIWANL-UHFFFAOYSA-N
DB15335,485-72-3,Formononetin,investigational,,,,,,,,ZINC000018847036,CHEMBL242341,50021398,FORMONONETIN,18088,5280378,COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,"InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3",HKQYGTCOTHHOMP-UHFFFAOYSA-N
DB15336,1815583-32-4,Valanafusp alfa,investigational,,,,,,,,,,,,,,,,
DB15338,204386-76-5,Rovatirelin,investigational,,,,,,,,,CHEMBL4297622,,KPS-0373,,9951059,C[C@@H]1CCCN1C(=O)[C@H](CC1=CSC=N1)NC(=O)[C@H]1NC(=O)O[C@H]1C,"InChI=1S/C16H22N4O4S/c1-9-4-3-5-20(9)15(22)12(6-11-7-25-8-17-11)18-14(21)13-10(2)24-16(23)19-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,21)(H,19,23)/t9-,10+,12+,13+/m1/s1",WTXWDXWZGJGIHV-URBCHYCLSA-N
DB15339,5650-44-2,Methcathinone,investigational,,,,,,,,,CHEMBL4070364,86285,,149677,1576,CNC(C)C(=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3",LPLLVINFLBSFRP-UHFFFAOYSA-N
DB15340,1025066-50-5,EC-0652,investigational,,,,,,,,,,,,,90175701,N[C@@H](CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCCCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O,"InChI=1S/C47H65N9O17S/c48-29(40(63)52-34(24-39(61)62)43(66)54-35(26-74)46(71)72)25-50-41(64)32(22-27-12-6-4-7-13-27)53-42(65)33(23-28-14-8-5-9-15-28)51-37(58)16-10-2-1-3-11-21-49-36(57)19-17-30(44(67)68)55-47(73)56-31(45(69)70)18-20-38(59)60/h4-9,12-15,29-35,74H,1-3,10-11,16-26,48H2,(H,49,57)(H,50,64)(H,51,58)(H,52,63)(H,53,65)(H,54,66)(H,59,60)(H,61,62)(H,67,68)(H,69,70)(H,71,72)(H2,55,56,73)/t29-,30-,31-,32-,33-,34-,35-/m0/s1",VHRCAJFLDBPRPG-POFDKVPJSA-N
DB15341,311768-81-7,Dinalbuphine sebacate,investigational,,,,,,,,ZINC000169295041,CHEMBL1823241,,DINALBUPHINE SEBACATE,,9962795,O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(OC(=O)CCCCCCCCC(=O)OC5=C6O[C@H]7[C@@H](O)CC[C@@]8(O)[C@H]9CC(C=C5)=C6[C@@]78CCN9CC5CCC5)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5,"InChI=1S/C52H68N2O10/c55-35-19-21-51(59)39-27-33-15-17-37(45-43(33)49(51,47(35)63-45)23-25-53(39)29-31-9-7-10-31)61-41(57)13-5-3-1-2-4-6-14-42(58)62-38-18-16-34-28-40-52(60)22-20-36(56)48-50(52,44(34)46(38)64-48)24-26-54(40)30-32-11-8-12-32/h15-18,31-32,35-36,39-40,47-48,55-56,59-60H,1-14,19-30H2/t35-,36-,39+,40+,47-,48-,49-,50-,51+,52+/m0/s1",ALOIOAGKUOQNID-ITCIXCFHSA-N
DB15342,885053-97-4,Panobacumab,investigational,,,,,,,,,,,,,,,,
DB15343,,HM-43239,investigational,,,,,,,,,,476700,,,135390910,C[C@H]1CN(CC2=CC(=CC(NC3=NC=C(Cl)C(=N3)C3=CNC4=C3C=CC(C)=C4)=C2)C2CC2)C[C@@H](C)N1,"InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+",FZLSDZZNPXXBBB-KDURUIRLSA-N
DB15344,625-08-1,beta-Hydroxyisovaleric acid,investigational,,,,,,,,ZINC000000395642,CHEMBL4303793,,,37084,69362,CC(C)(O)CC(O)=O,"InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)",AXFYFNCPONWUHW-UHFFFAOYSA-N
DB15345,944406-54-6,GSK-945237,investigational,,,,,,6EJ,,ZINC000138115734,CHEMBL3793226,50156545,GSK945237,,119057475,FC1=C2[C@H](CN3CCC(CC3)NCC3=NN=C4OCCOC4=C3)CN3C2=C(C=C1)C=CC3=O,"InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1",SRICOHRDRMZREQ-MRXNPFEDSA-N
DB15346,1445847-37-9,GLPG-1205,investigational,,,,,,,,ZINC000143015712,CHEMBL3716365,,GLPG-1205,,71616860,O=C1N=C(OC[C@@H]2COCCO2)C=C2N1CCC1=CC(=CC=C21)C#CC1CC1,"InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1",IRBAWVGZNJIROV-SFHVURJKSA-N
DB15347,1912445-55-6,Branebrutinib,investigational,,,,,,,,,CHEMBL4297674,,BRANEBRUTINIB,,121293929,CC#CC(=O)N[C@H]1CCCN(C1)C1=C2C(C)=C(C)NC2=C(C=C1F)C(N)=O,"InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1",VJPPLCNBDLZIFG-ZDUSSCGKSA-N
DB15348,1227056-84-9,Ampreloxetine,investigational,,,,,,,,,CHEMBL4297646,,TD-9855,,46189893,FC1=CC(F)=C(OCC2=CC=CC=C2C2CCNCC2)C(F)=C1,"InChI=1S/C18H18F3NO/c19-14-9-16(20)18(17(21)10-14)23-11-13-3-1-2-4-15(13)12-5-7-22-8-6-12/h1-4,9-10,12,22H,5-8,11H2",TZIALEBTHQWNAO-UHFFFAOYSA-N
DB15349,1418200-58-4,Sofituzumab vedotin,investigational,,,,,,,,,,,,,,,,
DB15350,643-12-9,D-chiro-Inositol,investigational,,,,,,,,ZINC000100024490,CHEMBL3976780,,,27374,,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m1/s1",CDAISMWEOUEBRE-SHFUYGGZSA-N
DB15351,97067-70-4,Dihematoporphyrin ether,investigational,,,,23066,,,,,,,,,,CC(O)C1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4C(C)OC(C)C1=C2NC(\C=C4/N=C(/C=C5\N\C(=C/C6=N/C(=C\2)/C(C)=C6C(C)O)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)=C1C)/C(CCC(O)=O)=C3C,"InChI=1S/C68H74N8O11/c1-29-41(13-17-61(79)80)53-28-56-44(16-20-64(85)86)32(4)48(72-56)24-59-68(36(8)52(76-59)25-58-65(37(9)77)33(5)49(73-58)21-45(29)69-53)40(12)87-39(11)67-35(7)50-22-46-30(2)42(14-18-62(81)82)54(70-46)27-55-43(15-19-63(83)84)31(3)47(71-55)23-57-66(38(10)78)34(6)51(74-57)26-60(67)75-50/h21-28,37-40,71-73,75,77-78H,13-20H2,1-12H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86)/b45-21-,46-22-,47-23-,48-24-,49-21-,50-22-,51-26-,52-25-,53-28-,54-27-,55-27-,56-28-,57-23-,58-25-,59-24-,60-26-",VAYJWFGRGMQINH-STKOUIOXSA-N
DB15352,1165741-01-4,Vorsetuzumab mafodotin,investigational,,,,,,,,,,,,,,,,
DB15353,1452458-86-4,Nacubactam,investigational,,,,,,,,ZINC000207610051,CHEMBL3989959,,NACUBACTAM,,73386748,NCCONC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2OS(O)(=O)=O,"InChI=1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1",RSBPYSTVZQAADE-RQJHMYQMSA-N
DB15354,1446419-85-7,Evinacumab,"['approved', 'investigational']","['28538136', '31242752', '33470417', '31847708', '32052309', '33130482']",,,2478335,,,,,,,,,,,,
DB15355,952295-80-6,PL-3994,investigational,,,,,,,,,,,,,,CCCCCCC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CNC=N2)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@@H](NC(=O)[C@@H]1CCCNC(N)=N)C(N)=O,"InChI=1S/C82H127N27O20S2/c1-6-9-11-15-25-62(112)98-59-41-130-131-42-60(76(126)104-56(34-47-26-28-49(111)29-27-47)79(129)109-39-57(66(83)116)105-77(127)61(109)24-18-32-93-82(88)89)107-74(124)58(40-110)106-78(128)65(44(4)8-3)108-70(120)52(23-17-31-92-81(86)87)100-73(123)55(36-64(114)115)103-69(119)51(21-10-7-2)99-68(118)50(22-16-30-91-80(84)85)97-63(113)38-94-67(117)45(5)96-71(121)53(33-46-19-13-12-14-20-46)101-72(122)54(102-75(59)125)35-48-37-90-43-95-48/h12-14,19-20,26-29,37,43-45,50-61,65,110-111H,6-11,15-18,21-25,30-36,38-42H2,1-5H3,(H2,83,116)(H,90,95)(H,94,117)(H,96,121)(H,97,113)(H,98,112)(H,99,118)(H,100,123)(H,101,122)(H,102,125)(H,103,119)(H,104,126)(H,105,127)(H,106,128)(H,107,124)(H,108,120)(H,114,115)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t44-,45+,50?,51+,52?,53-,54?,55-,56-,57+,58?,59?,60-,61-,65-/m0/s1",HSHVZRILAMZYHY-HJNNUAIJSA-N
DB15356,182821-33-6,SLV-334,investigational,,,,,,,,,CHEMBL4297432,,SLV-334,,11215055,OC(=O)CN1C2=CC=CC=C2CC[C@H](NC(=O)C2(C[C@@H](CCC3=CC=CC4=CC=CC=C34)C(O)=O)CCCC2)C1=O,"InChI=1S/C33H36N2O6/c36-29(37)21-35-28-13-4-2-9-24(28)16-17-27(30(35)38)34-32(41)33(18-5-6-19-33)20-25(31(39)40)15-14-23-11-7-10-22-8-1-3-12-26(22)23/h1-4,7-13,25,27H,5-6,14-21H2,(H,34,41)(H,36,37)(H,39,40)/t25-,27+/m1/s1",LOFDNSDPZTVIIO-VPUSJEBWSA-N
DB15357,131986-45-3,Xanomeline,investigational,,,,,,,3652,ZINC000001532358,CHEMBL21536,50003359,XANOMELINE TARTRATE,10056,60809,CCCCCCOC1=NSN=C1C1=CCCN(C)C1,"InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3",JOLJIIDDOBNFHW-UHFFFAOYSA-N
DB15358,1627902-21-9,JNJ-54175446,investigational,,,,,,,,,CHEMBL4079239,254266,JNJ-54175446,,90409366,C[C@H]1N(CCC2=C1N=NN2C1=NC=C(F)C=N1)C(=O)C1=C(Cl)C(=CC=C1)C(F)(F)F,"InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1",CWFVVQFVGMFTBD-SECBINFHSA-N
DB15359,6754-58-1,Xanthohumol,investigational,,,,,,,,ZINC000005158937,CHEMBL253896,50384998,XANTHOHUMOL,66331,639665,COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",ORXQGKIUCDPEAJ-YRNVUSSQSA-N
DB15360,98598-83-5,"Carfentanil, C-11",investigational,,,,,,,,,CHEMBL2311157,,,,449698,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)O[11CH3],"InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3/i2-1",YDSDEBIZUNNPOB-JVVVGQRLSA-N
DB15361,15064-65-0,Thallium Tl-201,investigational,,,,,,,,,,,,,,[201Tl],InChI=1S/Tl/i1-3,BKVIYDNLLOSFOA-OIOBTWANSA-N
DB15362,2135600-76-7,LSZ-102,investigational,,,,,,C6V,,,CHEMBL4076124,269484,,,118574930,CC(F)(F)C1=C(C=CC(F)=C1)C1=C(OC2=CC=C(\C=C\C(O)=O)C=C2)C2=CC=C(O)C=C2S1,"InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+",SJXNPGGVGZXKKI-NYYWCZLTSA-N
DB15363,1509928-04-4,Istiratumab,investigational,,,,,,,,,,,,,,,,
DB15365,2089039-22-3,Pegbelfermin,investigational,,,,,,,,,,,,,,,,
DB15366,1187852-48-7,SOR-C13,investigational,,,,,,,,,CHEMBL4228250,50459973,SOR-C13,,121596688,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C72H116N20O19/c1-39(2)31-48(84-63(102)49(33-42-17-8-7-9-18-42)85-60(99)46(24-25-56(94)95)81-59(98)44(75)19-10-12-26-73)62(101)88-52(34-43-36-78-38-80-43)70(109)92-30-16-23-55(92)67(106)89-53(37-93)65(104)82-45(20-11-13-27-74)61(100)90-58(41(5)6)68(107)86-50(35-57(96)97)64(103)87-51(32-40(3)4)69(108)91-29-15-22-54(91)66(105)83-47(71(110)111)21-14-28-79-72(76)77/h7-9,17-18,36,38-41,44-55,58,93H,10-16,19-35,37,73-75H2,1-6H3,(H,78,80)(H,81,98)(H,82,104)(H,83,105)(H,84,102)(H,85,99)(H,86,107)(H,87,103)(H,88,101)(H,89,106)(H,90,100)(H,94,95)(H,96,97)(H,110,111)(H4,76,77,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1",LGANPTNILMNMES-TVNHODDRSA-N
DB15367,1162264-07-4,LY-2623091,investigational,,,,,,,,,CHEMBL4088896,50235935,,,42636651,C[C@H](CN1CCOCC1)N1C(NC(N)=O)=NC2=C1C=CC(\C=C1/C3=CC=CC=C3COC3=CC(F)=CC=C13)=C2,"InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1",YPCLDHGBEKZGEB-RUDKWAFVSA-N
DB15368,943976-23-6,Yttrium Y-90 clivatuzumab tetraxetan,investigational,,,,,,,,,,,,,,,,
DB15369,1146887-67-3,Aganirsen,investigational,,,,,,,,,,,,,,,,
DB15370,1051366-32-5,Balixafortide,investigational,,,,,,,,,,,,,,,,
DB15371,1193902-95-2,MK-2748,investigational,,,,,,,,,CHEMBL4297303,,MK-2748,,45107289,COC1=CC2=C(C=C1)C(=O)N1CCCCC[C@@H]3CCC[C@H]3OC(=O)N[C@@H](C3CCCC3)C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3(C)CC3)OC1=N2,"InChI=1S/C42H56N6O10S/c1-4-27-23-42(27,38(52)46-59(54,55)41(2)18-19-41)45-35(49)32-22-29-24-48(32)37(51)34(26-12-7-8-13-26)44-40(53)58-33-15-10-14-25(33)11-6-5-9-20-47-36(50)30-17-16-28(56-3)21-31(30)43-39(47)57-29/h4,16-17,21,25-27,29,32-34H,1,5-15,18-20,22-24H2,2-3H3,(H,44,53)(H,45,49)(H,46,52)/t25-,27-,29-,32+,33-,34+,42-/m1/s1",HMYVZDWJFQOHCD-XEZGQWAWSA-N
DB15372,303983-00-8,JNJ-27548547,investigational,,,,,,,,,CHEMBL4297496,,PROMITIL,,9941638,CCCCCCCCCCCCCCCCCC(=O)OCC(CSSC1=CC=C(COC(=O)N2[C@H]3CN4C5=C([C@@H](COC(N)=O)[C@@]4(OC)[C@@H]23)C(=O)C(N)=C(C)C5=O)C=C1)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C62H98N4O11S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-52(67)74-43-48(77-53(68)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)45-78-79-49-39-37-47(38-40-49)42-76-61(72)66-51-41-65-56-54(58(70)55(63)46(3)57(56)69)50(44-75-60(64)71)62(65,73-4)59(51)66/h37-40,48,50-51,59H,5-36,41-45,63H2,1-4H3,(H2,64,71)/t48?,50-,51+,59+,62-,66?/m1/s1",LIHIIWJRSSLKKX-YCTALCSSSA-N
DB15373,1185986-76-8,Tilmanocept,"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB15374,10198-40-0,Cobalt Co-60,investigational,,,,,,,,,,,,,61492,[60Co],InChI=1S/Co/i1+1,GUTLYIVDDKVIGB-OUBTZVSYSA-N
DB15375,1673565-40-6,Tozuleristide,investigational,,,,,,,,,,,,,,CSCCC(N)C(=O)NC1CSSCC2NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C3CSSCC4NC(=O)C(CCC(N)=O)NC(=O)C5CCCN5C(=O)CNC(=O)C(CC5=CC=C(O)C=C5)NC(=O)C(CSSCC(NC(=O)C5CCCN5C(=O)C(CCSC)NC1=O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(CC1=CNC=N1)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)N3)NC(=O)C(CCCCNC(=O)CCCCCN1\C(=C/C=C/C=C/C=C/C3=[N+](CCCCS([O-])(=O)=O)C5=C(C6=CC=CC=C6C=C5)C3(C)C)C(C)(C)C3=C1C=CC1=CC=CC=C31)NC(=O)CNC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)C(CSSCC(NC(=O)C(CC(C)C)NC4=O)C(=O)NC(CCCNC(N)=N)C(O)=O)NC2=O,"InChI=1S/C203H296N58O52S12/c1-107(2)85-130-178(291)253-139(185(298)240-129(196(309)310)50-36-76-223-201(215)216)100-319-317-98-137-171(284)225-93-154(268)224-94-155(269)231-120(46-32-72-219-197(207)208)168(281)226-95-156(270)232-121(47-33-73-220-198(209)210)169(282)227-96-157(271)233-122(45-27-28-71-218-153(267)55-22-17-29-77-258-145-64-58-113-41-23-25-43-117(113)162(145)202(6,7)149(258)53-20-14-13-15-21-54-150-203(8,9)163-118-44-26-24-42-114(118)59-65-146(163)259(150)78-30-31-84-325(311,312)313)173(286)250-141-102-322-324-105-144-189(302)243-132(86-111-39-18-16-19-40-111)183(296)256-165(110(5)263)194(307)257-164(109(4)262)193(306)247-136(91-161(277)278)181(294)244-133(88-115-92-217-106-229-115)179(292)236-125(62-66-151(205)265)176(289)237-127(69-82-315-11)172(285)230-108(3)166(279)234-123(48-34-74-221-199(211)212)174(287)235-124(49-35-75-222-200(213)214)175(288)251-142(103-321-320-101-140(186(299)241-130)252-177(290)126(63-67-152(206)266)238-191(304)147-51-37-79-260(147)158(272)97-228-170(283)131(242-187(141)300)87-112-56-60-116(264)61-57-112)188(301)246-134(89-159(273)274)180(293)245-135(90-160(275)276)182(295)254-143(190(303)249-137)104-323-318-99-138(248-167(280)119(204)68-81-314-10)184(297)239-128(70-83-316-12)195(308)261-80-38-52-148(261)192(305)255-144/h13-16,18-21,23-26,39-44,53-54,56-61,64-65,92,106-110,119-144,147-148,164-165,262-263H,17,22,27-38,45-52,55,62-63,66-91,93-105,204H2,1-12H3,(H64-,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,257,264,265,266,267,268,269,270,271,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,309,310,311,312,313)",LWXYOERUKGQNKQ-UHFFFAOYSA-N
DB15376,1788032-39-2,Gosuranemab,investigational,,,,,,,,,,,,,,,,
DB15377,1226895-20-0,ATB-346,investigational,,,,,,,,,CHEMBL4211107,,ATB-346,,25065981,COC1=CC2=CC=C(C=C2C=C1)C(C)C(=O)OC1=CC=C(C=C1)C(N)=S,"InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)",YCNMAPLPQYQJFC-UHFFFAOYSA-N
DB15378,2039148-04-2,Vopratelimab,investigational,,,,,,,,,,,,,,,,
DB15379,128446-35-5,Hydroxypropyl betadex,investigational,,,,1363608,,,,,,,,195327,138059664,CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1C[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7OCC(C)O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](OCC(C)O)[C@H]4O)[C@H](OCC(C)O)[C@H]3O,"InChI=1S/C60H106O40/c1-21(65)12-81-18-33-28-7-27(71)54(92-33)95-46-30(9-62)90-60(52(42(46)78)85-16-25(5)69)99-47-31(10-63)91-59(53(43(47)79)86-17-26(6)70)98-45-29(8-61)88-56(40(76)36(45)72)96-48-35(20-83-14-23(3)67)94-57(41(77)38(48)74)100-50-32(11-64)89-58(44(80)51(50)84-15-24(4)68)97-49-34(19-82-13-22(2)66)93-55(87-28)39(75)37(49)73/h21-80H,7-20H2,1-6H3/t21?,22?,23?,24?,25?,26?,27-,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,60-/m1/s1",FCVINZIHPISTIY-YBOQSWHISA-N
DB15380,1274863-98-7,Flutriciclamide F-18,investigational,,,,,,,,ZINC000101468220,CHEMBL1944785,,,,51040949,CCN(CC)C(=O)[C@H]1CCCC2=C1C1=C(OC)C=CC=C1N2CC[18F],"InChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1/i21-1",ZVDVQPLDTTXLKI-LSKWOKDISA-N
DB15381,1182-68-9,Menaquinone,investigational,,,,,,,,ZINC000065743175,CHEMBL4297659,,MENAQUINONE,,14009404,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C36H48O2/c1-26(2)14-10-15-27(3)16-11-17-28(4)18-12-19-29(5)20-13-21-30(6)24-25-32-31(7)35(37)33-22-8-9-23-34(33)36(32)38/h8-9,14,16,18,20,22-24H,10-13,15,17,19,21,25H2,1-7H3/b27-16+,28-18+,29-20+,30-24+",HYPYXGZDOYTYDR-HAJWAVTHSA-N
DB15382,1116743-46-4,SAR-125844,investigational,,,,,,63K,,,CHEMBL4461070,50532757,,,25182860,FC1=CC=C(C=C1)C1=NN2C(SC3=CC=C4N=C(NC(=O)NCCN5CCOCC5)SC4=C3)=NN=C2C=C1,"InChI=1S/C25H23FN8O2S2/c26-17-3-1-16(2-4-17)19-7-8-22-30-31-25(34(22)32-19)37-18-5-6-20-21(15-18)38-24(28-20)29-23(35)27-9-10-33-11-13-36-14-12-33/h1-8,15H,9-14H2,(H2,27,28,29,35)",ODIUNTQOXRXOIV-UHFFFAOYSA-N
DB15383,1036730-42-3,Pidilizumab,investigational,,,,,,,,,,,,,,,,
DB15384,791635-59-1,Simotaxel,investigational,,,,,,,,ZINC000169292343,CHEMBL2107372,,MST-997,,11286005,CC(C)OC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C3CCCC3)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CS1,"InChI=1S/C46H57NO15S/c1-23(2)58-42(55)47-33(29-18-13-19-63-29)34(50)41(54)59-28-21-46(56)38(61-40(53)27-14-9-8-10-15-27)36-44(7,30(49)20-31-45(36,22-57-31)62-25(4)48)37(51)35(32(24(28)3)43(46,5)6)60-39(52)26-16-11-12-17-26/h8-10,13-15,18-19,23,26,28,30-31,33-36,38,49-50,56H,11-12,16-17,20-22H2,1-7H3,(H,47,55)/t28-,30-,31+,33-,34+,35+,36-,38-,44+,45-,46+/m0/s1",SLGIWUWTSWJBQE-VLCCYYTCSA-N
DB15385,943764-99-6,Acebilustat,investigational,,,,,,,,,CHEMBL4297604,,CTX-4430,,68488178,OC(=O)C1=CC=C(CN2C[C@@H]3C[C@H]2CN3CC2=CC=C(OC3=CC=C(C=C3)C3=NC=CO3)C=C2)C=C1,"InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1",GERJIEKMNDGSCS-DQEYMECFSA-N
DB15386,1188450-53-4,ALT-801,investigational,,,,,,,,,,,,,,,,
DB15387,1918149-01-5,Bintrafusp alfa,investigational,,,,,,,,,,,,,,,,
DB15388,,Anti-GD2 monoclonal antibody 3F8,investigational,,,,,,,,,,,,,,,,
DB15389,136279-32-8,Teceleukin,investigational,,,,,,,,,,,,,,,,
DB15390,1635395-27-5,Efizonerimod alfa,investigational,,,,,,,,,,,,,,,,
DB15391,1388651-30-6,Elenbecestat,investigational,,,,,,,,,CHEMBL4204869,50510823,ELENBECESTAT,,57827330,C[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)C1=CC(NC(=O)C2=NC=C(N=C2)C(F)F)=CC=C1F,"InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1",AACUJFVOHGRMTR-DPXNYUHVSA-N
DB15392,7440-46-2,Cesium,investigational,,,,1310121,,,,,,,,,,[Cs],InChI=1S/Cs,TVFDJXOCXUVLDH-UHFFFAOYSA-N
DB15393,332012-40-5,Telatinib,investigational,,,,,PA165980595,,,ZINC000000590964,CHEMBL2079588,50399538,TELATINIB,,9808844,CNC(=O)C1=CC(COC2=C3OC=CC3=C(NC3=CC=C(Cl)C=C3)N=N2)=CC=N1,"InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)",QFCXANHHBCGMAS-UHFFFAOYSA-N
DB15394,54-28-4,gamma-Tocopherol,investigational,,,,2368126,,,,ZINC000004284471,CHEMBL2151591,,.GAMMA.-TOCOPHEROL,18185,92729,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",QUEDXNHFTDJVIY-DQCZWYHMSA-N
DB15395,,PF-06863135,investigational,,,,,,,,,,,,,,,,
DB15396,1416241-23-0,PF-114,investigational,,,,,,,,,CHEMBL4297478,260151,PF-114,,71475839,CN1CCN(CC2=C(C=C(NC(=O)C3=CC=C(C)C(=C3)C#CC3=NN=C4C=CC=CN34)C=C2)C(F)(F)F)CC1,"InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)",SLIVDYMORZGPLW-UHFFFAOYSA-N
DB15397,946415-70-9,GMA-161,investigational,,,,,,,,,,,,,,,,
DB15398,205687-03-2,Dihydrocapsiate,investigational,,,,,,,,ZINC000013481841,,,,174951,9873754,COC1=C(O)C=CC(COC(=O)CCCCCCC(C)C)=C1,"InChI=1S/C18H28O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h10-12,14,19H,4-9,13H2,1-3H3",RBCYRZPENADQGZ-UHFFFAOYSA-N
DB15399,1001350-96-4,BMS-754807,investigational,,,,,,EBI,,ZINC000043203317,CHEMBL575448,107000,BMS 754807,88339,24785538,C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1,"InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1",LQVXSNNAFNGRAH-QHCPKHFHSA-N
DB15400,1401812-88-1,Lifastuzumab vedotin,investigational,,,,,,,,,,,,,,,,
DB15401,1903768-17-1,Danicopan,investigational,,,,,,,,,CHEMBL4250860,354268,ACH-4471,,118323590,CC(=O)C1=NN(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2=CC=CC(Br)=N2)C2=C1C=C(C=C2)C1=CN=C(C)N=C1,"InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1",PIBARDGJJAGJAJ-NQIIRXRSSA-N
DB15402,339986-90-2,Tucotuzumab celmoleukin,investigational,,,,,,,,,,,,,,,,
DB15403,1628260-79-6,Ziritaxestat,investigational,,,,,,7NB,,,CHEMBL3828074,50187686,ZIRITAXESTAT,,90420193,CCC1=C(N(C)C2=NC(=C(S2)C#N)C2=CC=C(F)C=C2)N2C=C(C=C(C)C2=N1)N1CCN(CC(=O)N2CC(O)C2)CC1,"InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3",REQQVBGILUTQNN-UHFFFAOYSA-N
DB15404,9005-49-6,"Heparin, bovine",investigational,,,,1856273,,,,,,,,,,,,
DB15405,178433-03-9,FET F-18,investigational,,,,,,,,ZINC000101627026,CHEMBL477278,,,,9834479,N[C@@H](CC1=CC=C(OCC[18F])C=C1)C(O)=O,"InChI=1S/C11H14FNO3/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)/t10-/m0/s1/i12-1",QZZYPHBVOQMBAT-LRAGLOQXSA-N
DB15406,1391076-61-1,GLPG-0974,investigational,,,,,,,,ZINC000200856271,CHEMBL3353541,50032334,GLPG0974,,57520598,C[C@@]1(CCN1C(=O)C1=CSC2=C1C=CC=C2)C(=O)N(CCCC(O)=O)CC1=CC=CC(Cl)=C1,"InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1",MPMKMQHJHDHPBE-RUZDIDTESA-N
DB15407,870281-34-8,Acalisib,investigational,,,,,,,,ZINC000035943170,CHEMBL4303323,,CAL120,,11618268,C[C@H](NC1=NC=NC2=C1NC=N2)C1=NC2=C(C=C(F)C=C2)C(=O)N1C1=CC=CC=C1,"InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1",DOCINCLJNAXZQF-LBPRGKRZSA-N
DB15408,1009820-21-6,Silmitasertib,investigational,,,,,,3NG,,ZINC000058638454,CHEMBL1230165,50335638,CX4945,,24748573,OC(=O)C1=CC2=C(C=C1)C1=C(C=CN=C1)C(NC1=CC(Cl)=CC=C1)=N2,"InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)",MUOKSQABCJCOPU-UHFFFAOYSA-N
DB15409,1629760-29-7,Ladiratuzumab vedotin,investigational,,,,,,,,,,,,,,,,
DB15410,107381-32-8,(S)-Propafenone,investigational,,,,,,,,ZINC000001530759,CHEMBL1322675,,,,184820,CCCNC[C@H](O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1,"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m0/s1",JWHAUXFOSRPERK-SFHVURJKSA-N
DB15411,1446482-29-6,ABP-700,investigational,,,,,,,,,CHEMBL4297255,,ABP-700,,71481187,COC(=O)C1(CC1)OC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1,"InChI=1S/C17H18N2O4/c1-12(13-6-4-3-5-7-13)19-11-18-10-14(19)15(20)23-17(8-9-17)16(21)22-2/h3-7,10-12H,8-9H2,1-2H3/t12-/m1/s1",DRAFVCKNYNQOKR-GFCCVEGCSA-N
DB15412,1632032-53-1,LB-100,investigational,,,,,,,,,CHEMBL4297300,,LB-100,,45101433,CN1CCN(CC1)C(=O)C1[C@@H]2CC[C@@H](O2)C1C(O)=O,"InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1",JUQMLSGOTNKJKI-IZUQBHJASA-N
DB15413,1628423-76-6,Pafolacianine,"['approved', 'investigational']","['27868096', '31362825', '29568374', '32292641']",,,2586857,,,,,CHEMBL4297412,,OTL38,,139033031,CC1(C)\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCS(O)(=O)=O)C4=C(C=C(C=C4)S([O-])(=O)=O)C3(C)C)=C2OC2=CC=C(C[C@H](NC(=O)C3=CC=C(NCC4=CN=C5N=C(N)NC(=O)C5=N4)C=C3)C(O)=O)C=C2)N(CCCCS(O)(=O)=O)C2=C1C=C(C=C2)S(O)(=O)=O,"InChI=1S/C61H67N9O17S4/c1-60(2)46-33-44(90(81,82)83)22-24-49(46)69(28-5-7-30-88(75,76)77)51(60)26-16-38-10-9-11-39(17-27-52-61(3,4)47-34-45(91(84,85)86)23-25-50(47)70(52)29-6-8-31-89(78,79)80)54(38)87-43-20-12-37(13-21-43)32-48(58(73)74)66-56(71)40-14-18-41(19-15-40)63-35-42-36-64-55-53(65-42)57(72)68-59(62)67-55/h12-27,33-34,36,48H,5-11,28-32,35H2,1-4H3,(H9-,62,63,64,66,67,68,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86)/t48-/m0/s1",PDXNSXLPXJFETD-DYVQZXGMSA-N
DB15414,1130115-44-4,CM-4307,investigational,,,,,,,,,CHEMBL4297490,,,,25191001,[2H]C([2H])([2H])NC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1,"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3",MLDQJTXFUGDVEO-FIBGUPNXSA-N
DB15415,1449294-76-1,Tomaralimab,investigational,,,,,,,,,,,,,,,,
DB15416,1268244-88-7,PX-102,investigational,,,,,,,,ZINC000115372389,CHEMBL3822773,50185707,,,118374999,OC(=O)C1=CC=C(C=C1)[C@H]1C[C@@H]1C1=C(Cl)C=C(OCC2=C(ON=C2C2=C(Cl)C=CC=C2Cl)C2CC2)C=C1,"InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1",XBUXXJUEBFDQHD-NHCUHLMSSA-N
DB15417,1667762-62-0,Recanaclotide,investigational,,,,,,,,,,,,,,,,
DB15418,1850385-64-6,AZD-9977,investigational,,,,,,ECV,,,CHEMBL3916929,238159,AZD 9977,,118599727,CNC(=O)C[C@H]1COC2=C(C=CC(F)=C2)N1C(=O)C1=CC2=C(OCC(=O)N2)C=C1,"InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1",MBKYLPOPYYLTNW-ZDUSSCGKSA-N
DB15419,1256448-47-1,Nanatinostat,investigational,,,,,,,,ZINC000101424935,CHEMBL1801250,50347385,VRX-3996,,,ONC(=O)C1=CN=C(N=C1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC1=NC2=CC=C(F)C=C2C=C1,"InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+",QRGHOAATPOLDPF-VQFNDLOPSA-N
DB15420,9013-55-2,Coagulation factor XIa,investigational,,,,,,,,,,,,,,,,
DB15421,2050478-92-5,Cetrelimab,investigational,,,,,,,,,,,,,,,,
DB15422,892494-07-4,ILS-920,investigational,,,,,,,,,,,,,,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)[C@@H]3CC[C@@H](ON3C3=CC=CC=C3)\C=C(C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O,"InChI=1S/C57H86N2O14/c1-33-26-37(5)51(62)53(70-10)52(63)38(6)27-34(2)47(61)32-49(35(3)28-40-20-24-46(60)50(30-40)69-9)71-56(66)45-18-14-15-25-58(45)55(65)54(64)57(67)39(7)19-21-42(72-57)31-48(68-8)36(4)29-43-22-23-44(33)59(73-43)41-16-12-11-13-17-41/h11-13,16-17,27,29,33-35,37,39-40,42-46,48-50,52-53,60,63,67H,14-15,18-26,28,30-32H2,1-10H3/b36-29-,38-27-/t33-,34+,35+,37+,39+,40-,42-,43+,44-,45-,46+,48-,49-,50+,52+,53-,57+/m0/s1",WZFNBQBUDJACCD-AYNOCWQQSA-N
DB15423,130114-83-9,Disaccharide tripeptide glycerol dipalmitoyl,investigational,,,,,,,,,CHEMBL4297391,,DISACCHARIDE TRIPEPTIDE GLYCEROL DIPALMITOYL,,131842305,CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO)C(N)=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H116N6O21/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-54(79)87-41-48(90-55(80)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)42-88-64(86)44(4)67-53(78)37-36-49(61(66)83)71-62(84)43(3)68-63(85)45(5)89-59(50(38-72)69-46(6)75)60(51(77)39-73)92-65-56(70-47(7)76)58(82)57(81)52(40-74)91-65/h38,43-45,48-52,56-60,65,73-74,77,81-82H,8-37,39-42H2,1-7H3,(H2,66,83)(H,67,78)(H,68,85)(H,69,75)(H,70,76)(H,71,84)/t43-,44-,45+,48+,49+,50-,51+,52+,56+,57+,58+,59+,60+,65-/m0/s1",DNUXJWBKTMJNEP-JVSLBXKQSA-N
DB15424,863644-14-8,Bfpet F-18,investigational,,,,,,,,,CHEMBL2181666,,,,11212252,[18F]C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C24H19FP/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1/i25-1",QWPLCHDPESWJRN-FNNGWQQSSA-N
DB15425,1070790-89-4,CYC-065,investigational,,,,,,,,ZINC000096177788,CHEMBL3655762,106950,,,24983461,CC[C@H](NC1=NC(NCC2=C(C)C=C(C)N=C2)=C2N=CN(C(C)C)C2=N1)[C@@H](C)O,"InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1",DLPIYBKBHMZCJI-WBVHZDCISA-N
DB15426,865200-20-0,Giripladib,investigational,,,,,,,,ZINC000085537113,CHEMBL2104969,,GIRIPLADIB,,11721842,OC(=O)C1=CC=C(CCCC2=C(CCNS(=O)(=O)CC3=C(C=CC=C3)C(F)(F)F)N(C(C3=CC=CC=C3)C3=CC=CC=C3)C3=C2C=C(Cl)C=C3)C=C1,"InChI=1S/C41H36ClF3N2O4S/c42-33-22-23-37-35(26-33)34(16-9-10-28-18-20-31(21-19-28)40(48)49)38(47(37)39(29-11-3-1-4-12-29)30-13-5-2-6-14-30)24-25-46-52(50,51)27-32-15-7-8-17-36(32)41(43,44)45/h1-8,11-15,17-23,26,39,46H,9-10,16,24-25,27H2,(H,48,49)",NHHBNHIPCSPSHQ-UHFFFAOYSA-N
DB15427,69123-98-4,Fialuridine,investigational,,,,,,,,ZINC000004216113,CHEMBL271475,50367488,FIALURIDINE,,50313,OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1C=C(I)C(=O)NC1=O,"InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1",IPVFGAYTKQKGBM-BYPJNBLXSA-N
DB15428,1205533-60-3,Vesencumab,investigational,,,,,,,,,,,,,,,,
DB15429,68-11-1,Thioglycolic acid,investigational,,,,,,MCR,,ZINC000004658574,CHEMBL116455,50336509,THIOGLYCOLIC ACID,30065,129829565,OC(=O)CS,"InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)",CWERGRDVMFNCDR-UHFFFAOYSA-N
DB15430,1512559-37-3,Elgemtumab,investigational,,,,,,,,,,,,,,,,
DB15431,1379545-95-5,M-2698,investigational,,,,,,,,,CHEMBL4871106,,MSC2363318A,,89808643,NC(=O)C1=CC=CC2=C1N=CN=C2N[C@H](CN1CCC1)C1=CC(=C(Cl)C=C1)C(F)(F)F,"InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1",HXAUJHZZPCBFPN-QGZVFWFLSA-N
DB15432,1313706-14-7,Pinatuzumab vedotin,investigational,,,,,,,,,,,,,,,,
DB15433,,AVI-7537,investigational,,,,,,,,,,,,,,,,
DB15434,1905409-39-3,Mosunetuzumab,investigational,,,,,,,,,,,,,,,,
DB15435,1800340-40-2,BMS-986158,investigational,,,,,,YWA,,,CHEMBL4297458,296947,BMS-986158,,118196485,CN1N=NC(C)=C1C1=CC2=C(N=C1)C1=C(C=C(C=C1)C(C)(C)O)N2[C@@H](C1CCOCC1)C1=CC=CC=C1,"InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1",KGERZPVQIRYWRK-GDLZYMKVSA-N
DB15436,1432982-77-8,Glucoraphanin,investigational,,,,,,,,,,,,,9548634,C[S+]([O-])CCCC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS(O)(=O)=O,"InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1",GMMLNKINDDUDCF-RFOBZYEESA-N
DB15437,1402796-27-3,Rocacetrapib,investigational,,,,,,,,,CHEMBL4297601,,CKD-519,,70674853,COC1=C(C=C(C(C)C)C(F)=C1)C1=C(CN2[C@@H](C)[C@H](OC2=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC(C)(C)CC1,"InChI=1S/C31H34F7NO3/c1-16(2)23-12-24(26(41-6)13-25(23)32)22-7-8-29(4,5)14-19(22)15-39-17(3)27(42-28(39)40)18-9-20(30(33,34)35)11-21(10-18)31(36,37)38/h9-13,16-17,27H,7-8,14-15H2,1-6H3/t17-,27-/m0/s1",GBHPDJQHZADVAA-SOKVYYICSA-N
DB15438,309758-71-2,Artemin,investigational,,,,,,,,,,,,,,,,
DB15439,1402837-78-8,Navoximod,investigational,,,,,,LKP,,,CHEMBL3989951,370555,NLG919,,,O[C@H](C[C@@H]1N2C=NC=C2C2=CC=CC(F)=C12)[C@H]1CC[C@H](O)CC1,"InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1",YGACXVRLDHEXKY-WXRXAMBDSA-N
DB15440,1018673-42-1,GSK-3117391,investigational,,,,,,,,ZINC000198485396,CHEMBL4297494,,CHR 5154,,53630042,ONC(=O)CCC1=NC=C(CN[C@@H](C2CCCCC2)C(=O)OC2CCCC2)C=C1,"InChI=1S/C22H33N3O4/c26-20(25-28)13-12-18-11-10-16(14-23-18)15-24-21(17-6-2-1-3-7-17)22(27)29-19-8-4-5-9-19/h10-11,14,17,19,21,24,28H,1-9,12-13,15H2,(H,25,26)/t21-/m0/s1",AFDPFLDWOXXHQM-NRFANRHFSA-N
DB15441,1421830-13-8,Lulizumab pegol,investigational,,,,,,,,,,,,,,,,
DB15442,1374743-00-6,Trilaciclib,"['approved', 'investigational']","['26826116', '7883799', '33004541']",,,2479690,,,5442,,CHEMBL3894860,253928,COSELA,,68029831,CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1,"InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)",PDGKHKMBHVFCMG-UHFFFAOYSA-N
DB15443,2131168-99-3,Lorukafusp alfa,investigational,,,,,,,,,,,,,,,,
DB15444,2216712-66-0,Elexacaftor,"['approved', 'investigational']","['31218221', '30334693', '28441669', '30334692']",,,2256951,,,5372,,CHEMBL4298128,,ELEXACAFTOR,,134587348,C[C@@H]1CN(C2=NC(=CC=C2C(=O)NS(=O)(=O)C2=CN(C)N=C2C)N2C=CC(OCC(C)(C)C(F)(F)F)=N2)C(C)(C)C1,"InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1",MVRHVFSOIWFBTE-INIZCTEOSA-N
DB15445,147-58-0,Iodohippuric acid,investigational,,,,314691,,,,ZINC000000388058,CHEMBL1681,,,140408,8614,OC(=O)CNC(=O)C1=CC=CC=C1I,"InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)",CORFWQGVBFFZHF-UHFFFAOYSA-N
DB15446,717824-30-1,Vidofludimus,investigational,,,,,,D5H,,ZINC000014960644,CHEMBL197194,16111,IMU-838,,9820008,COC1=CC(=CC=C1)C1=CC=C(NC(=O)C2=C(CCC2)C(O)=O)C(F)=C1,"InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)",XPRDUGXOWVXZLL-UHFFFAOYSA-N
DB15447,1002101-19-0,Setogepram,investigational,,,,,,,,ZINC000113492390,CHEMBL4297635,,SETOGEPRAM,,24749700,CCCCCC1=CC(CC(O)=O)=CC=C1,"InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)",PEGQOIGYZLJMIB-UHFFFAOYSA-N
DB15448,836683-15-9,Acumapimod,investigational,,,,,,,,ZINC000116024237,,,,,11338127,CC1=CC=C(C=C1N1N=CC(C(=O)C2=CC=CC(=C2)C#N)=C1N)C(=O)NC1CC1,"InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)",VGUSQKZDZHAAEE-UHFFFAOYSA-N
DB15449,1316215-12-9,Citarinostat,investigational,,,,,,,,ZINC000098023187,CHEMBL3693786,110036,ACY-241,,53340426,ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1Cl,"InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)",VLIUIBXPEDFJRF-UHFFFAOYSA-N
DB15450,1398583-31-7,PF-05105679,investigational,,,,,,,,ZINC000149966028,CHEMBL3577885,50089245,PF-05105679,,60195662,C[C@@H](N(CC1=CC(=CC=C1)C(O)=O)C(=O)C1=CC2=C(C=CC=C2)N=C1)C1=CC=C(F)C=C1,"InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1",BXNMZRPTQFVRFA-QGZVFWFLSA-N
DB15451,,SOBI-003,investigational,,,,,,,,,,,,,,,,
DB15452,,Technetium Tc-99m epratuzumab,investigational,,,,,,,,,,,,,,,,
DB15453,1607824-64-5,Naratuximab emtansine,investigational,,,,,,,,,,,,,,,,
DB15455,415168-49-9,Cenersen,investigational,,,,,,,,,,,,,,,,
DB15456,1350653-20-1,Vericiguat,"['approved', 'investigational']","['28557445', '31853617', '32458378', '33277825']",,D11051,2475830,,,5439,ZINC000072318626,CHEMBL4066936,50239781,MK-1242,142432,54674461,COC(=O)NC1=C(N)N=C(N=C1N)C1=NN(CC2=CC=CC=C2F)C2=C1C=C(F)C=N2,"InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)",QZFHIXARHDBPBY-UHFFFAOYSA-N
DB15457,1226795-18-1,Snubh-nm-333 F-18,investigational,,,,,,,,ZINC000102827579,CHEMBL1774645,,,,46186778,CNC1=CC=C(C=C1)C1=NC2=C(S1)C=C([18F])C=C2,"InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3/i15-1",QLWFXLJVGCECSV-HUYCHCPVSA-N
DB15458,327-57-1,Norleucine,investigational,,,,,,NLE,,ZINC000001529322,CHEMBL292439,,NORLEUCINE,58455,21236,CCCC[C@H](N)C(O)=O,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",LRQKBLKVPFOOQJ-YFKPBYRVSA-N
DB15460,920289-29-8,AGG-523,investigational,,,,,,,,,CHEMBL4859268,,AGG-523,,16048422,CC(C)(CC1=CC=C(F)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)C1=CC=C(C=C1)C1=CC=CC=C1,"InChI=1S/C28H29FN2O4/c1-28(2,18-19-8-14-23(29)15-9-19)31-27(35)24(16-17-25(32)33)30-26(34)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-15,24H,16-18H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)/t24-/m0/s1",JWQMTWCFNZSLNR-DEOSSOPVSA-N
DB15461,,Yersinia pestis 195/p antigen (formaldehyde inactivated),investigational,,,,,,,,,,,,,,,,
DB15462,3351-86-8,Fucoxanthin,investigational,,,,,,A86,,,,,,5186,,CC(=O)O[C@H]1CC(C)(C)C(=[C@@]=C\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1,"InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1",SJWWTRQNNRNTPU-XJUZQKKNSA-N
DB15463,1672668-24-4,Belzutifan,"['approved', 'investigational']",,,,2567226,,72Q,,ZINC000584905085,CHEMBL4585668,373040,BELZUTIFAN,,117947097,CS(=O)(=O)C1=CC=C(OC2=CC(=CC(F)=C2)C#N)C2=C1[C@H](O)[C@H](F)[C@@H]2F,"InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1",LOMMPXLFBTZENJ-ZACQAIPSSA-N
DB15464,1143-70-0,Urolithin A,investigational,,,,,,,,ZINC000013484727,CHEMBL1836264,,,168442,5488186,OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2,"InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H",RIUPLDUFZCXCHM-UHFFFAOYSA-N
DB15465,1259440-61-3,Benzhydrocodone,approved,"['29025138', '14998425', '23719682', '28931']",,,2001352,,,,ZINC000103297957,CHEMBL3137321,,,,76314940,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC=C2OC(=O)C1=CC=CC=C1,"InChI=1S/C25H25NO4/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26/h3-8,10-11,17-18,23H,9,12-14H2,1-2H3/t17-,18-,23+,25+/m1/s1",VPMRSLWWUXNYRY-NDOYXKHWSA-N
DB15466,115308-98-0,Tallimustine,experimental,"['10919073', '30866557', '12620417', '17691953', '11772279']",,,,,,,ZINC000003921862,CHEMBL89705,,,,65924,CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N,"InChI=1S/C32H38Cl2N10O4/c1-41-18-22(14-25(41)30(46)37-11-8-28(35)36)39-32(48)27-16-23(19-43(27)3)40-31(47)26-15-21(17-42(26)2)38-29(45)20-4-6-24(7-5-20)44(12-9-33)13-10-34/h4-7,14-19H,8-13H2,1-3H3,(H3,35,36)(H,37,46)(H,38,45)(H,39,48)(H,40,47)",ARKYUICTMUZVEW-UHFFFAOYSA-N
DB15467,104-28-9,Cinoxate,approved,,,,288262,,,,ZINC000002041136,CHEMBL2104045,,,,5373773,CCOCCOC(=O)\C=C\C1=CC=C(OC)C=C1,"InChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+",CMDKPGRTAQVGFQ-RMKNXTFCSA-N
DB15468,154702-15-5,Iscotrizinol,experimental,,,,,,,,,CHEMBL2103813,,ISCOTRIZINOL,,9810816,CCCCC(CC)COC(=O)C1=CC=C(NC2=NC(NC3=CC=C(C=C3)C(=O)OCC(CC)CCCC)=NC(NC3=CC=C(C=C3)C(=O)NC(C)(C)C)=N2)C=C1,"InChI=1S/C44H59N7O5/c1-8-12-14-30(10-3)28-55-39(53)33-18-24-36(25-19-33)46-42-48-41(45-35-22-16-32(17-23-35)38(52)51-44(5,6)7)49-43(50-42)47-37-26-20-34(21-27-37)40(54)56-29-31(11-4)15-13-9-2/h16-27,30-31H,8-15,28-29H2,1-7H3,(H,51,52)(H3,45,46,47,48,49,50)",OSCJHTSDLYVCQC-UHFFFAOYSA-N
DB15469,88122-99-0,Octyl triazone,experimental,,,,1314657,,,,,CHEMBL4462531,,,,159201,[H]N(C1=CC=C(C=C1)C(=O)OCC(CC)CCCC)C1=NC(=NC(=N1)N([H])C1=CC=C(C=C1)C(=O)OCC(CC)CCCC)N([H])C1=CC=C(C=C1)C(=O)OCC(CC)CCCC,"InChI=1S/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54)",JGUMTYWKIBJSTN-UHFFFAOYSA-N
DB15470,195189-17-4,Minretumomab,experimental,,,,,,,,,,,,,,,,
DB15471,,ZW-25,investigational,,,,,,,,,,,,,,,,
DB15472,,ZW-49,investigational,,,,,,,,,,,,,,,,
DB15473,,Haemagglutinin-strain B (Victoria),approved,,,,,,,,,,,,,,,,
DB15474,,Haemagglutinin-strain B (Yamagata),approved,,,,,,,,,,,,,,,,
DB15475,,Haemagglutinin-strain A(H3N2),approved,,,,,,,,,,,,,,,,
DB15476,,Haemagglutinin-strain A(H1N1),approved,,,,,,,,,,,,,,,,
DB15477,8015-61-0,Alloin,"['experimental', 'approved']",,,,17354,,,,,CHEMBL497001,50269016,,73222,9866696,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1C2=CC=CC(O)=C2C(=O)C2=C1C=C(CO)C=C2O,"InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1",AFHJQYHRLPMKHU-CGISPIQUSA-N
DB15478,8015-89-2,Frangula purshiana bark,"['experimental', 'approved']",,,,1350209,,,,,,,,,,,,
DB15479,10119-31-0,Zirconium chloride hydroxide,"['experimental', 'approved']",,,,,,,,,,,,,57346135,O[Zr]Cl,InChI=1S/ClH.H2O.Zr/h1H;1H2;/q;;+2/p-2,BLKLTTCUAPDQEG-UHFFFAOYSA-L
DB15480,102-29-4,Resorcinol monoacetate,"['experimental', 'approved']",,,,2106739,,,,ZINC000000002029,CHEMBL1593874,,,29672,5055,CC(=O)OC1=CC(O)=CC=C1,"InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3",ZZPKZRHERLGEKA-UHFFFAOYSA-N
DB15481,8009-00-5,Fish liver oil,"['experimental', 'approved']",,,,,,,,,,,,,,,,
DB15482,,Haemagglutinin-strain B,approved,,,,,,,,,,,,,,,,
DB15483,,Modified vaccinia ankara,approved,,,,1668221,,,,,,,,,,,,
DB15484,,"Vibrio cholerae Inaba 6973 El Tor biotype, formalin inactivated",approved,,,,,,,,,,,,,,,,
DB15485,,"Vibrio cholerae Inaba 48 classical biotype, heat inactivated",approved,,,,,,,,,,,,,,,,
DB15486,,"Vibrio cholerae Ogawa 50 classical biotype, heat inactivated",approved,,,,,,,,,,,,,,,,
DB15487,,"Vibrio cholerae Ogawa 50 classical biotype, formalin inactivated",approved,,,,,,,,,,,,,,,,
DB15488,82854-37-3,Echinacoside,experimental,"['19022941', '15556132', '23591053', '26186273', '29783690']",,,,,,,ZINC000085504689,CHEMBL510539,,,4745,5281771,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O,"InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1",FSBUXLDOLNLABB-ISAKITKMSA-N
DB15489,31868-18-5,Mexazolam,experimental,26000220,,,,,,1793,,CHEMBL1743261,,,31842,4177,CC1COC2(N1CC(O)=NC1=C2C=C(Cl)C=C1)C1=CC=CC=C1Cl,"InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23)",ANUCDXCTICZJRH-UHFFFAOYSA-N
DB15490,1632051-40-1,Zuranolone,experimental,,,,,,,,,CHEMBL4105630,50258216,ZURANOLONE,,86294073,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@](C)(O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)C(=O)CN1C=C(C=N1)C#N,"InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1",HARRKNSQXBRBGZ-GVKWWOCJSA-N
DB15491,24143-17-7,Oxazolam,experimental,,,,,,,2016,,CHEMBL2104805,,,31944,4617,CC1CN2CC(=O)NC3=C(C=C(Cl)C=C3)C2(O1)C1=CC=CC=C1,"InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)",VCCZBYPHZRWKFY-UHFFFAOYSA-N
DB15492,84226-12-0,Eticlopride,experimental,,,,,,ETQ,,ZINC000000001395,CHEMBL8946,50007518,,92874,57267,CCN1CCC[C@H]1CNC(=O)C1=C(O)C(CC)=CC(Cl)=C1OC,"InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1",AADCDMQTJNYOSS-LBPRGKRZSA-N
DB15493,14513-15-6,Cambinol,experimental,16618762,,,,,,,ZINC000007996283,CHEMBL491960,29040,,,3246390,OC1=C(CC2=C(NC(=S)NC2=O)C2=CC=CC=C2)C2=CC=CC=C2C=C1,"InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)",RVNSQVIUFZVNAU-UHFFFAOYSA-N
DB15494,2101630-92-4,Edotreotide gallium Ga-68,approved,"['19639164', '10319747', '10901448', '22072704', '11734911', '9096086']",V09IX09,,2199391,,,,,,,,,71661158,[68Ga+3].C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1,"InChI=1S/C65H92N14O18S2.Ga/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53;/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90);/q;+3/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+;/m1./s1/i;1-2",PZBPHYLKIMOZPR-FIYGWYQWSA-K
DB15495,84573-16-0,Rocaglamide,experimental,"['15324805', '21952919', '24150948', '22999878', '23869022', '11014256', '24895251', '19373244', '19401772', '15027128']",,,,,RCG,,ZINC000005664046,CHEMBL438139,50196926,,66309,331783,COC1=CC=C(C=C1)[C@@]12OC3=C(C(OC)=CC(OC)=C3)[C@]1(O)[C@H](O)[C@@H]([C@H]2C1=CC=CC=C1)C(=O)N(C)C,"InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1",DAPAQENNNINUPW-IDAMAFBJSA-N
DB15496,,Didesmethylrocaglamide,experimental,"['15324805', '24150948', '22999878', '11014256', '23869022', '10223787', '24895251', '10685499', '19373244', '21952919', '19401772']",,,,,,,ZINC000006009986,CHEMBL583207,,,,397614,COC1=CC=C(C=C1)[C@@]12OC3=CC(OC)=CC(OC)=C3[C@]1(O)[C@H](O)[C@@H]([C@H]2C1=CC=CC=C1)C(N)=O,"InChI=1S/C27H27NO7/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(28)30)24(29)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,29,31H,1-3H3,(H2,28,30)/t21-,22-,24-,26+,27+/m1/s1",RMNPQEWLGQURNX-PXIJUOARSA-N
DB15497,,"Smallpox and Monkeypox Vaccine, Live, Non-replicating",approved,,,,,,,,,,,,,,,,
DB15498,1578245-44-9,BOS172722,experimental,"['30199249', '23174302', '31575759']",,,,,FMW,,,CHEMBL3924132,241338,,,73386890,CCOC1=CC(=CC=C1NC1=NC=C2C=C(C)N=C(NCC(C)(C)C)C2=N1)C1=NN=CN1C,"InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)",SGWLRDAOCLITOM-UHFFFAOYSA-N
DB15499,1198300-79-6,Cerdulatinib,investigational,,,,,,,,ZINC000114483165,CHEMBL4116008,50468574,CERDULATINIB,,44595079,CCS(=O)(=O)N1CCN(CC1)C1=CC=C(NC2=NC=C(C(N)=O)C(NC3CC3)=N2)C=C1,"InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)",BGLPECHZZQDNCD-UHFFFAOYSA-N
DB15500,,Influenza A virus A/Brisbane/02/2018 IVR-190 (H1N1) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB15501,,Influenza A virus A/Kansas/14/2017 X-327 (H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB15502,,Baccharis sarothroides whole,approved,,,,2104198,,,,,,,,,,,,
DB15503,,Amaranthus hybridus pollen,approved,,,,1363561,,,,,,,,,,,,
DB15504,,Acacia dealbata pollen,approved,,,,2202946,,,,,,,,,,,,
DB15505,,"Influenza A virus A/Idaho/07/2018 (H1N1) antigen (MDCK cell derived, propiolactone inactivated",approved,,,,2180337,,,,,,,,,,,,
DB15506,,"Influenza A virus A/Indiana/08/2018 (H3N2) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,2180338,,,,,,,,,,,,
DB15507,,"Influenza B virus B/Singapore/INFTT-16-0610/2016 antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB15508,,"Influenza B virus B/Iowa/06/2017 antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB15509,,Alnus serrulata pollen,approved,,,,2043275,,,,,,,,,,,,
DB15510,,Prosopis velutina seed,approved,,,,,,,,,,,,,,,,
DB15511,,Gibberella fujikuroi,approved,,,,2043450,,,,,,,,,,,,
DB15512,,Mucor circinelloides f. circinelloides,approved,,,,2101422,,,,,,,,,,,,
DB15513,,Influenza A virus A/Switzerland/3330/2017 (H1N1) live (attenuated) antigen,approved,,,,2198896,,,,,,,,,,,,
DB15514,,Influenza A virus A/Kansas/14/2017 (H3N2) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB15515,,Influenza A virus A/Brisbane/02/2018 IVR-190 (H1N1) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB15516,,Influenza A virus A/Kansas/14/2017 X-327 (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB15517,,Influenza A virus A/Brisbane/02/2018 (H1N1) recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB15518,,Influenza A virus A/Kansas/14/2017 (H3N2) recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB15519,,"Influenza A virus A/Brisbane/02/2018 IVR-190 (H1N1) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB15520,,"Influenza A virus A/Kansas/14/2017 X-327 (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB15521,,Cyd dengue virus serotype 1 live (attenuated) antigen,approved,,,,2197290,,,,,,,,,,,,
DB15522,,Cyd dengue virus serotype 2 live (attenuated) antigen,approved,,,,2197291,,,,,,,,,,,,
DB15523,,Cyd dengue virus serotype 3 live (attenuated) antigen,approved,,,,2197292,,,,,,,,,,,,
DB15524,,Cyd dengue virus serotype 4 live (attenuated) antigen,approved,,,,2197293,,,,,,,,,,,,
DB15525,,Mucor circinelloides f. lusitanicus,approved,,,,2101473,,,,,,,,,,,,
DB15526,,Eurotium amstelodami,approved,,,,2101007,,,,,,,,,,,,
DB15527,851536-75-9,Umirolimus,experimental,,,,1942479,,,,ZINC000169677041,CHEMBL2107380,,TRM 986,,11158972,[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](OCCOCC)[C@@H](C1)OC,"InChI=1S/C55H87NO14/c1-12-67-26-27-68-45-24-22-41(31-48(45)65-10)30-37(5)47-33-44(57)36(4)29-39(7)50(59)51(66-11)49(58)38(6)28-34(2)18-14-13-15-19-35(3)46(64-9)32-42-23-21-40(8)55(63,70-42)52(60)53(61)56-25-17-16-20-43(56)54(62)69-47/h13-15,18-19,29,34,36-38,40-43,45-48,50-51,59,63H,12,16-17,20-28,30-33H2,1-11H3/b15-13+,18-14+,35-19+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,50-,51+,55-/m1/s1",YYSFXUWWPNHNAZ-PKJQJFMNSA-N
DB15528,1922968-73-7,Onasemnogene abeparvovec,approved,"['31270752', '29766031', '29091557', '19271042']",,D11559,2170226,,,,,,,,,,,,
DB15529,,Leucanthemum vulgare pollen,approved,,,,2102006,,,,,,,,,,,,
DB15530,,Trifolium pratense pollen,approved,,,,2102052,,,,,,,,,,,,
DB15531,1190590-38-5,Silk sericin,experimental,,,,1652102,,,,,,,,,,,,
DB15532,34540-22-2,Madecassoside,experimental,,,,87855,,,,ZINC000253529433,CHEMBL4787233,23212,,66651,24825675,[H][C@@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@@H](C)[C@H](C)[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@]7([H])[C@H](O)C[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,"InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42+,44-,45+,46-,47-,48+/m1/s1",BNMGUJRJUUDLHW-HCZMHFOYSA-N
DB15533,7778-18-9,Calcium sulfate,experimental,,,D09201,1925,,,,,CHEMBL2106140,,CALCIUM SULFATE,31346,139148733,[Ca++].[O-]S([O-])(=O)=O,"InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",OSGAYBCDTDRGGQ-UHFFFAOYSA-L
DB15534,477-27-0,Colchiceine,"['experimental', 'approved']","['12020594', '23730875', '2322310']",,,2174385,,,,,CHEMBL323668,66784,,,10156,COC1=C(OC)C(OC)=C2C(CCC(NC(C)=O)C3=CC(=O)C(O)=CC=C23)=C1,"InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)",PRGILOMAMBLWNG-UHFFFAOYSA-N
DB15535,7758-89-6,Cuprous chloride,experimental,,,,1423796,,,,,,,,53472,6432712,Cl[Cu],InChI=1S/ClH.Cu/h1H;/q;+1/p-1,OXBLHERUFWYNTN-UHFFFAOYSA-M
DB15536,7705-08-0,Ferric chloride,"['experimental', 'approved']",,,,24898,,,,,,,,30808,166033,Cl[Fe](Cl)Cl,InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3,RBTARNINKXHZNM-UHFFFAOYSA-K
DB15537,9000-20-8,Eucalyptus gum,"['experimental', 'approved']",,,,1541731,,,,,,,,,,,,
DB15538,,Sea scallop,approved,,,,1426396,,,,,,,,,,,,
DB15539,,Northern brown shrimp,approved,,,,2102481,,,,,,,,,,,,
DB15540,,Rainbow trout,approved,,,,2102483,,,,,,,,,,,,
DB15541,,Yellowfin tuna,approved,,,,2102488,,,,,,,,,,,,
DB15542,,Atlantic mackerel,approved,,,,2198984,,,,,,,,,,,,
DB15543,,Pacific ocean perch,approved,,,,2102486,,,,,,,,,,,,
DB15544,,Myristica fragrans fruit,approved,,,,1995252,,,,,,,,,,,,
DB15545,,Pisum sativum whole,approved,,,,1866393,,,,,,,,,,,,
DB15546,,Skim milk,approved,,,,1310587,,,,,,,,,,,,
DB15547,,Black sea bass,approved,,,,2102474,,,,,,,,,,,,
DB15548,,Channel catfish,approved,,,,2102475,,,,,,,,,,,,
DB15549,,Atlantic halibut,approved,,,,2261370,,,,,,,,,,,,
DB15550,625095-60-5,Pradefovir,investigational,,,,,,,,ZINC000003939598,CHEMBL2096895,,PRADEFOVIR,,9604654,NC1=NC=NC2=C1N=CN2CCOC[P@@]1(=O)OCC[C@H](O1)C1=CC=CC(Cl)=C1,"InChI=1S/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28+/m0/s1",GWNHAOBXDGOXRR-HJFSHJIFSA-N
DB15551,,Leptazoline A,experimental,,,,,,,,,,,,,145994623,C[C@@H]1OC(=N[C@H]1[C@H](O)CC(O)=O)C1=CC(Cl)=CC=C1O,"InChI=1S/C13H14ClNO5/c1-6-12(10(17)5-11(18)19)15-13(20-6)8-4-7(14)2-3-9(8)16/h2-4,6,10,12,16-17H,5H2,1H3,(H,18,19)/t6-,10+,12+/m0/s1",ZFAIHGMUJXZHDW-ISROVCFRSA-N
DB15552,,Leptazoline B,experimental,,,,,,,,,,,,,145994624,C[C@@H]1OC(=N[C@H]1[C@H](O)[C@H](O)C(=O)NC(CO)CO)C1=CC(Cl)=CC=C1O,"InChI=1S/C16H21ClN2O7/c1-7-12(13(23)14(24)15(25)18-9(5-20)6-21)19-16(26-7)10-4-8(17)2-3-11(10)22/h2-4,7,9,12-14,20-24H,5-6H2,1H3,(H,18,25)/t7-,12+,13-,14-/m0/s1",DQWZJXAZNNVHLN-MBTXQYBYSA-N
DB15553,,Leptazoline C,experimental,,,,,,,,,,,,,145994625,C[C@@H]1OC(=N[C@H]1[C@H](O)CC(O)=O)C1=CC=CC=C1O,"InChI=1S/C13H15NO5/c1-7-12(10(16)6-11(17)18)14-13(19-7)8-4-2-3-5-9(8)15/h2-5,7,10,12,15-16H,6H2,1H3,(H,17,18)/t7-,10+,12+/m0/s1",HYNVCGWXNJDHLB-HNBZJPLGSA-N
DB15554,,Leptazoline D,experimental,,,,,,,,,,,,,145994626,C[C@@H]1OC(=N[C@H]1[C@H](O)[C@H](O)C(=O)NC(CO)CO)C1=CC=CC=C1O,"InChI=1S/C16H22N2O7/c1-8-12(13(22)14(23)15(24)17-9(6-19)7-20)18-16(25-8)10-4-2-3-5-11(10)21/h2-5,8-9,12-14,19-23H,6-7H2,1H3,(H,17,24)/t8-,12+,13-,14-/m0/s1",XXWREFOKTUTPHF-ISTUKMMPSA-N
DB15555,869-06-7,Magnesium malate,"['experimental', 'approved']",,,,283578,,,,,,,,,164748,[Mg++].OC(CC([O-])=O)C([O-])=O,"InChI=1S/C4H6O5.Mg/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2",JFQQIWNDAXACSR-UHFFFAOYSA-L
DB15556,955009-96-8,Zinc glycinate citrate,experimental,,,,1306062,,,,,,,,,71587896,[Zn++].NCC([O-])=O.NCC([O-])=O.OC(=O)CC(O)(CC(O)=O)C(O)=O,"InChI=1S/C6H8O7.2C2H5NO2.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*3-1-2(4)5;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1,3H2,(H,4,5);/q;;;+2/p-2",AORYXJPNCRHPND-UHFFFAOYSA-L
DB15557,103656-40-2,"24-Homo-1,25-dihydroxyvitamin D3",experimental,,,,1423458,,,,ZINC000038791777,,,,,9547481,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCCC(C)(C)O,"InChI=1S/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1",WKTIGYIYJKESCJ-JJWMBMNSSA-N
DB15558,1430205-07-4,Imalumab,investigational,,,,,,,,,,,,,,,,
DB15559,1969309-56-5,Zenocutuzumab,investigational,,,,,,,,,,,,,,,,
DB15560,202011-67-4,Reloxaliase,investigational,,,,,,,,,,,,,,,,
DB15561,1819334-78-5,Valoctocogene roxaparvovec,investigational,,,,,,,,,,,,,,,,
DB15562,,"Influenza A virus A/North carolina/04/2016 (H3N2) hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,2056521,,,,,,,,,,,,
DB15563,,"Influenza B virus B/Iowa/06/2017 hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB15564,,"Influenza B virus B/Singapore/INFTT-16-0610/2016 hemagglutinin antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB15565,90139-06-3,Cilazaprilat,experimental,,,,,,,,ZINC000004212489,CHEMBL2104578,,,81005,64766,OC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O,"InChI=1S/C20H27N3O5/c24-18-15(8-4-12-22-13-5-9-17(20(27)28)23(18)22)21-16(19(25)26)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,25,26)(H,27,28)/t15-,16-,17-/m0/s1",UVAUYSRYXACKSC-ULQDDVLXSA-N
DB15566,52-21-1,Prednisolone acetate,"['vet_approved', 'approved']","['8788152', '30285357', '25800201', '1874907']",,,,,,2247,ZINC000003875348,CHEMBL1152,,PRED FORTE,8380,5834,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1",LRJOMUJRLNCICJ-JZYPGELDSA-N
DB15567,,PCLX-001,investigational,,,,,,,,,,,,,,,,
DB15568,,Adagrasib,investigational,"['31189530', '31658955', '31666701']",,,,,,,,CHEMBL4594350,50539763,MRTX-849,,138611145,,,
DB15569,2252403-56-6,Sotorasib,"['approved', 'investigational']","['31189530', '23313110', '32955176', '31658955', '31666701']",,D12055,2550714,,,,,CHEMBL4535757,50514402,SOTORASIB,178199,137278711,CC(C)C1=NC=CC(C)=C1N1C(=O)N=C(N2CCN(C[C@@H]2C)C(=O)C=C)C2=CC(F)=C(N=C12)C1=C(O)C=CC=C1F,"InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1",NXQKSXLFSAEQCZ-SFHVURJKSA-N
DB15570,,FLX475,investigational,,,,,,,,,,,,,,,,
DB15571,109430-12-8,(12R)-12-hydroxyeicosapentaenoic acid,experimental,,,,2261372,,,,ZINC000014449721,,,,165265,5283190,CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C/C\C=C/CCCC(O)=O,"InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m1/s1",MCRJLMXYVFDXLS-IHWYZUJNSA-N
DB15572,,CTX001,investigational,,,,,,,,,,,,,,,,
DB15573,80-56-8,alpha-Pinene,experimental,,,,2362183,,,,,CHEMBL442565,,.ALPHA.-PINENE,36740,6654,CC1=CCC2CC1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",GRWFGVWFFZKLTI-UHFFFAOYSA-N
DB15574,127-91-3,beta-Pinene,experimental,,,,1923811,,,,,CHEMBL501351,,,50025,14896,CC1(C)C2CC1C(=C)CC2,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",WTARULDDTDQWMU-UHFFFAOYSA-N
DB15575,759457-82-4,Padeliporfin,"['experimental', 'approved']",,L01XD07,,,,,,,,,,,56841556,[Pd++].[H][C@]1(C)\C2=C\C3=C(C(C)=O)C(C)=C([N-]3)\C=C3/N=C(/C(/CC(=O)OC)=C4\[N-]\C(=C/C(=N2)[C@]1([H])CC)C(C)=C4C(=O)NCCS(O)(=O)=O)[C@@]([H])(CCC(O)=O)[C@]3([H])C,"InChI=1S/C37H45N5O9S.Pd/c1-8-22-17(2)25-16-30-33(21(6)43)19(4)27(40-30)14-26-18(3)23(9-10-31(44)45)35(41-26)24(13-32(46)51-7)36-34(37(47)38-11-12-52(48,49)50)20(5)28(42-36)15-29(22)39-25;/h14-18,22-23H,8-13H2,1-7H3,(H5,38,39,40,41,42,43,44,45,47,48,49,50);/q;+2/p-2/t17-,18+,22-,23+;/m1./s1",MZRDSGWDVDESRC-VNWQTDIGSA-L
DB15576,118-61-6,Ethyl salicylate,"['experimental', 'approved']",,,,1546423,,,,ZINC000000157490,CHEMBL2251610,,,88839,8365,CCOC(=O)C1=CC=CC=C1O,"InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3",GYCKQBWUSACYIF-UHFFFAOYSA-N
DB15578,207679-81-0,Desfesoterodine,experimental,,G04BD13,,,,,,ZINC000000006047,CHEMBL3348932,,PNU-200577,177454,9819382,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=CC(CO)=CC=C1O)C(C)C,"InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1",DUXZAXCGJSBGDW-HXUWFJFHSA-N
DB15579,35825-57-1,Cryptotanshinone,experimental,,,,,,,,ZINC000002109876,CHEMBL187460,57938,,149838,160254,C[C@H]1COC2=C1C(=O)C(=O)C1=C2C=CC2=C1CCCC2(C)C,"InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1",GVKKJJOMQCNPGB-JTQLQIEISA-N
DB15580,38083-17-9,Climbazole,experimental,,,,191566,,,5064,,CHEMBL1437764,181112,,83719,37907,CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=CN=C1,"InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3",OWEGWHBOCFMBLP-UHFFFAOYSA-N
DB15581,480-40-0,Chrysin,experimental,,,,1362888,,57D,,ZINC000003872070,CHEMBL117,7461,,75095,5281607,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1,"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H",RTIXKCRFFJGDFG-UHFFFAOYSA-N
DB15582,512-64-1,Echinomycin,experimental,,,,,,,,,CHEMBL503868,,,,6857732,CSC1SC[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1N(C)C(=O)[C@H](C)NC(=O)[C@@H](COC(=O)[C@H](C(C)C)N(C)C2=O)NC(=O)C1=NC2=C(C=CC=C2)N=C1)NC(=O)C1=NC2=C(C=CC=C2)N=C1,"InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27-,28-,35+,36+,37-,38-,39-,40+,51?/m0/s1",AUJXLBOHYWTPFV-VITLIGDRSA-N
DB15583,86811-58-7,Fluazuron,experimental,,,,,,,,ZINC000002570819,CHEMBL1164608,,,39374,65651,FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C(OC2=NC=C(C=C2Cl)C(F)(F)F)=C1,"InChI=1S/C20H10Cl2F5N3O3/c21-11-5-4-10(29-19(32)30-17(31)16-13(23)2-1-3-14(16)24)7-15(11)33-18-12(22)6-9(8-28-18)20(25,26)27/h1-8H,(H2,29,30,31,32)",YOWNVPAUWYHLQX-UHFFFAOYSA-N
DB15584,491-70-3,Luteolin,experimental,,,,,,LU2,,ZINC000018185774,CHEMBL151,7459,LUTEOLIN,15864,5280445,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",IQPNAANSBPBGFQ-UHFFFAOYSA-N
DB15585,118968-41-5,ORG-31710,experimental,,,,,,,,ZINC000003918217,CHEMBL460258,,,,164090,[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3[C@H](C)C[C@@]21[H],"InChI=1S/C30H39NO2/c1-19-16-25-27-12-14-30(13-5-15-33-30)29(27,2)18-26(20-6-8-21(9-7-20)31(3)4)28(25)23-11-10-22(32)17-24(19)23/h6-9,17,19,25-27H,5,10-16,18H2,1-4H3/t19-,25+,26-,27+,29+,30+/m1/s1",HFDGABTZPISMDD-IEVXGSBISA-N
DB15586,149-29-1,Patulin,experimental,,,,,,,,,CHEMBL294018,50158841,,74926,4696,OC1OCC=C2OC(=O)C=C12,"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2",ZRWPUFFVAOMMNM-UHFFFAOYSA-N
DB15587,28300-74-5,Antimony potassium tartrate,experimental,,,D02959,981,,,,,,,,,73415808,O.O.O.[K+].[K+].[Sb+3].[Sb+3].[O-][C@H]([C@@H]([O-])C([O-])=O)C([O-])=O.[O-][C@H]([C@@H]([O-])C([O-])=O)C([O-])=O,"InChI=1S/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4/t2*1-,2-;;;;;;;/m11......./s1",WBTCZEPSIIFINA-MSFWTACDSA-J
DB15588,77-52-1,Ursolic acid,experimental,,,,1426931,,6Q5,,ZINC000003978827,CHEMBL169,50148911,URSOLIC ACID,9908,64945,[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",WCGUUGGRBIKTOS-GPOJBZKASA-N
DB15589,122-48-5,Zingerone,experimental,,,,2199325,,,,ZINC000000526834,CHEMBL25894,50304073,,68657,31211,COC1=CC(CCC(C)=O)=CC=C1O,"InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3",OJYLAHXKWMRDGS-UHFFFAOYSA-N
DB15590,477-52-1,beta-Apopicropodophyllin,experimental,,,,,,,,,CHEMBL330498,,,,6452099,COC1=CC(=CC(OC)=C1OC)[C@H]1C2=C(COC2=O)CC2=C1C=C1OCOC1=C2,"InChI=1S/C22H20O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,19H,4,9-10H2,1-3H3/t19-/m1/s1",OPGVEBTYBAOEHZ-LJQANCHMSA-N
DB15591,85637-73-6,Atrial natriuretic peptide,experimental,,,,,,,,,,,,,,,,
DB15592,,Cucurbita pepo subsp. ovifera whole,approved,,,,2102476,,,,,,,,,,,,
DB15593,1422959-91-8,Golodirsen,approved,"['27398133', '29301272', '31257147', '15544491', '18974549', '30171533', '28974147', '24554202', '26140716', '31576784', '28515510']",,,2267207,,,,,,,,,,,,
DB15594,6104-58-1,Brilliant blue G,approved,"['19561782', '14660466', '12799245', '31004281', '16829804', '26425352', '21372016']",,,1998867,,,5359,,CHEMBL4173394,,,,61363,[Na+].CCOC1=CC=C(NC2=CC=C(C=C2)C(=C2\C=C/C(/C=C2C)=[N+](/CC)CC2=CC(=CC=C2)S([O-])(=O)=O)\C2=C(C)C=C(C=C2)N(CC)CC2=CC(=CC=C2)S([O-])(=O)=O)C=C1,"InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1",RWVGQQGBQSJDQV-UHFFFAOYSA-M
DB15595,,"Ebola Zaire vaccine (live, attenuated)",approved,"['25285105', '25497512', '15937495', '28791241', '21739679']",,,,,,,,,,,,,,,
DB15596,58-37-7,Aminopromazine,"['experimental', 'vet_approved']",,,,2462496,,,173,,CHEMBL2105961,,,135400,19392,CN(C)CC(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N(C)C,"InChI=1S/C19H25N3S/c1-20(2)13-15(21(3)4)14-22-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)22/h5-12,15H,13-14H2,1-4H3",YZQNFFLGIYEXMM-UHFFFAOYSA-N
DB15597,60-46-8,Aminopentamide,"['experimental', 'vet_approved']",,,,1006397,,,170,,CHEMBL92915,,,91829,22565,CC(CC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)N(C)C,"InChI=1S/C19H24N2O/c1-15(21(2)3)14-19(18(20)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H2,20,22)",NARHAGIVSFTMIG-UHFFFAOYSA-N
DB15598,33725-54-1,Ferric maltol,approved,"['1364845', '2591161', '1856249', '2015422', '2883285', '26595432']",B03AB10,,2539932,,,,,,,,,169535,[Fe+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1,"InChI=1S/3C6H6O3.Fe/c3*1-4-6(8)5(7)2-3-9-4;/h3*2-3,8H,1H3;/q;;;+3/p-3",AHPWLYJHTFAWKI-UHFFFAOYSA-K
DB15599,,MIV-711,investigational,,,,,,,,,,,,,,,,
DB15601,847952-38-9,NNZ-2591,investigational,20188767,,,,,,,,CHEMBL4802144,,NNZ-2591,,11735696,C=CC[C@@]12CCCN1C(=O)CNC2=O,"InChI=1S/C10H14N2O2/c1-2-4-10-5-3-6-12(10)8(13)7-11-9(10)14/h2H,1,3-7H2,(H,11,14)/t10-/m0/s1",WVKCGUOWPZAROG-JTQLQIEISA-N
DB15602,,Cashew fruit,approved,,,,1358956,,,,,,,,,,,,
DB15603,,"Coffea arabica seed, roasted",approved,,,,,,,,,,,,,,,,
DB15604,,Lactuca sativa whole,approved,,,,2102479,,,,,,,,,,,,
DB15605,,Field mushroom,approved,,,,2102477,,,,,,,,,,,,
DB15606,,White mustard seed,approved,,,,1486503,,,,,,,,,,,,
DB15607,68607-88-5,Hydrolyzed soy protein,experimental,,,,1721695,,,,,,,,,,,,
DB15608,,Theobroma cacao whole,approved,,,,2102821,,,,,,,,,,,,
DB15609,1609655-35-7,JPC-3210,experimental,31836637,,,,,,,,,,,,,CC(C)(C)NCC1=C(O)C(=CC(=C1)C(C)(C)C)C1=CN=C(C(F)=C1)C(F)(F)F,"InChI=1S/C21H26F4N2O/c1-19(2,3)14-7-13(11-27-20(4,5)6)17(28)15(9-14)12-8-16(22)18(26-10-12)21(23,24)25/h7-10,27-28H,11H2,1-6H3",DYULPLHABFGTOQ-UHFFFAOYSA-N
DB15610,82971-90-2,(4-(trifluoromethoxy)phenyl)urea,experimental,,,,2169961,,,,ZINC000002510752,,,,,2779224,NC(=O)NC1=CC=C(OC(F)(F)F)C=C1,"InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)13-7(12)14/h1-4H,(H3,12,13,14)",LOSFVIMHTOMZKT-UHFFFAOYSA-N
DB15611,,Muskmelon,approved,,,,1363443,,,,,,,,,,,,
DB15612,,American hazelnut,approved,,,,1603849,,,,,,,,,,,,
DB15613,,Musa acuminata fruit,approved,,,,2102480,,,,,,,,,,,,
DB15614,1173-13-3,Previtamin D(3),experimental,,,,,,,,ZINC000016343334,,,,8403,5281058,[H][C@@]1(CC[C@@]2([H])C(\C=C/C3=C(C)CC[C@H](O)C3)=CCC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1",YUGCAAVRZWBXEQ-WHTXLNIXSA-N
DB15615,,Fennel,"['experimental', 'approved']",,,,1370467,,,,,,,,,,,,
DB15616,,REC-994,investigational,,,,,,,,,,,,,,,,
DB15617,1345510-43-1,Ferric derisomaltose,approved,"['23613366', '31243803', '21452290', '24310424', '8985284', '25420283', '31928094']",,,2274394,,,,,,,,,86278348,[Fe+3].OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C18H34O16.Fe/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18;/h5-30H,1-4H2;/q;+3/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-;/m0./s1",JTQTXQSGPZRXJF-DOJSGGEQSA-N
DB15618,,"(5E,7E,9)-decatrien-2-one",experimental,31763832,,,,,,,,,,,,145994627,CC(=O)CC\C=C/C=C/C=C,"InChI=1S/C10H14O/c1-3-4-5-6-7-8-9-10(2)11/h3-7H,1,8-9H2,2H3/b5-4+,7-6-",YYXSUQQUWMLOOB-DEQVHDEQSA-N
DB15619,,"(5Z,7E,9)-decatrien-2-one",experimental,31763832,,,,,,,,,,,,,CC(=O)CC\C=C\C=C\C=C,"InChI=1S/C10H14O/c1-3-4-5-6-7-8-9-10(2)11/h3-7H,1,8-9H2,2H3/b5-4+,7-6+",YYXSUQQUWMLOOB-YTXTXJHMSA-N
DB15620,,Influenza B virus B/Washington/02/2019 antigen (formaldehyde inactivated),approved,,,,2280293,,,,,,,,,,,,
DB15621,,Influenza A virus A/South Australia/34/2019 IVR-197 (H3N2) antigen (formaldehyde inactivated),approved,,,,2280296,,,,,,,,,,,,
DB15622,123606-06-4,Triazavirin,experimental,"['23477247', '20194696', '16115318']",,,,,,,ZINC000100546686,CHEMBL1618116,,,,3113817,CSC1=NN2C(NN=C(C2=O)[N+]([O-])=O)=N1,"InChI=1S/C5H4N6O3S/c1-15-5-6-4-8-7-2(11(13)14)3(12)10(4)9-5/h1H3,(H,6,8,9)",IDVQGNMSSHPZSJ-UHFFFAOYSA-N
DB15623,1000287-05-7,TMC-310911,investigational,"['24121757', '21896904', '24121756']",,,,,74T,,ZINC000098208561,CHEMBL4756129,,,,53361968,[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C2N=C(NC3CCN(CC3)C3CCCC3)SC2=C1,"InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1",JQUNFHFWXCXPRK-AMMMHQJVSA-N
DB15624,40045-50-9,Halicin,experimental,,,,,,,,ZINC000008716875,CHEMBL510038,29315,,146227,11837140,NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1,"InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)",NQQBNZBOOHHVQP-UHFFFAOYSA-N
DB15626,2097104-58-8,Spesolimab,investigational,,,,,,,,,,,,,,,,
DB15627,2022215-59-2,Dostarlimab,"['approved', 'investigational']","['32213091', '32052309', '31847708', '33182707']",,,2539967,,,,,,,,,,,,
DB15628,152981-31-2,Inolimomab,investigational,"['34621279', '27899357']",,,,,,,,,,,,,,,
DB15629,2162134-62-3,Garadacimab,investigational,,,,,,,,,,,,,,,,
DB15630,1642581-63-2,Glumetinib,investigational,,,,,,,,,CHEMBL4594400,,SCC244,,117797905,CN1C=C(C=N1)C1=CN2C(C=C1)=NC=C2S(=O)(=O)N1N=CC2=NC=C(C=C12)C1=CN(C)N=C1,"InChI=1S/C21H17N9O2S/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17/h3-13H,1-2H3",RYBLECYFLJXEJX-UHFFFAOYSA-N
DB15631,187348-17-0,Edodekin alfa,investigational,,,,1318050,,,,,,,,,,,,
DB15632,2148321-69-9,Zalifrelimab,investigational,,,,,,,,,,,,,,,,
DB15633,2140211-48-7,Pabinafusp alfa,investigational,,,,,,,,,,,,,,,,
DB15634,1393641-34-3,Temelimab,investigational,,,,,,,,,,,,,,,,
DB15635,1895083-75-6,Omburtamab,investigational,"['33514401', '26487718', '31847708']",,,,,,,,,,,,,,,
DB15636,1841136-73-9,Zilucoplan,investigational,,,,,,,,,,,,,133083018,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=NC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)(C)C)C1CCCCC1)C(O)=O)C(O)=O,"InChI=1S/C172H278N24O55/c1-9-10-11-12-13-14-15-16-17-18-19-20-27-44-146(202)182-136(170(226)227)53-56-144(200)177-64-67-229-69-71-231-73-75-233-77-79-235-81-83-237-85-87-239-89-91-241-93-95-243-97-99-245-101-103-247-105-107-249-109-111-251-113-112-250-110-108-248-106-104-246-102-100-244-98-96-242-94-92-240-90-88-238-86-84-236-82-80-234-78-76-232-74-72-230-70-68-228-66-59-145(201)175-60-31-29-41-135(169(224)225)186-165(220)152(126-37-25-22-26-38-126)193-162(217)142-43-34-65-196(142)168(223)140(116-125-47-51-129(199)52-48-125)190-157(212)133(54-57-148(204)205)184-161(216)139(117-127-120-180-154-130(127)39-32-62-178-154)188-159(214)138(115-124-45-49-128(198)50-46-124)189-166(221)153(172(5,6)7)194-163(218)143(119-150(208)209)195(8)167(222)141-118-147(203)176-61-30-28-40-131(181-122(4)197)158(213)192-151(121(2)3)164(219)185-134(55-58-149(206)207)156(211)183-132(42-33-63-179-171(173)174)155(210)187-137(160(215)191-141)114-123-35-23-21-24-36-123/h21,23-24,32,35-36,39,45-52,62,120-121,126,131-143,151-153,198-199H,9-20,22,25-31,33-34,37-38,40-44,53-61,63-119H2,1-8H3,(H,175,201)(H,176,203)(H,177,200)(H,178,180)(H,181,197)(H,182,202)(H,183,211)(H,184,216)(H,185,219)(H,186,220)(H,187,210)(H,188,214)(H,189,221)(H,190,212)(H,191,215)(H,192,213)(H,193,217)(H,194,218)(H,204,205)(H,206,207)(H,208,209)(H,224,225)(H,226,227)(H4,173,174,179)/t131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,151-,152-,153+/m0/s1",JDXCOXKBIGBZSK-PSNKNOTQSA-N
DB15637,1358715-18-0,Fluzoparib,investigational,,,,,,,,,CHEMBL3930624,209857,FUZULOPARIB,,56649297,FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN2N=C(N=C2C1)C(F)(F)F,"InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)",XJGXCBHXFWBOTN-UHFFFAOYSA-N
DB15638,1802148-05-5,Brensocatib,investigational,,,,,,,,,CHEMBL3900409,50195235,BRENSOCATIB,,118253852,CN1C(=O)OC2=CC=C(C=C12)C1=CC=C(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)C=C1,"InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1",AEXFXNFMSAAELR-RXVVDRJESA-N
DB15639,1173699-31-4,AMG-337,investigational,,,,,,5T1,,ZINC000144562400,CHEMBL3785909,50157612,,,44181686,COCCOC1=CC2=C(C=CN([C@H](C)C3=NN=C4N3C=C(C=C4F)C3=CN(C)N=C3)C2=O)N=C1,"InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1",DWHXUGDWKAIASB-CQSZACIVSA-N
DB15640,192819-27-5,CDC-801,investigational,,,,,,,,,CHEMBL88153,50216298,CC-1088,,9844338,COC1=CC=C(C=C1OC1CCCC1)C(CC(N)=O)N1C(=O)C2=C(C=CC=C2)C1=O,"InChI=1S/C23H24N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26)",DDYUBCCTNHWSQM-UHFFFAOYSA-N
DB15641,82413-20-5,Droloxifene,investigational,,,,,,,,ZINC000001585847,CHEMBL487,430671,,34731,3033767,CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC(O)=C1)C1=CC=CC=C1,"InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+",ZQZFYGIXNQKOAV-OCEACIFDSA-N
DB15642,1154028-82-6,Molidustat,investigational,,,,,,A1H,,ZINC000167006010,CHEMBL3646118,118339,MOLIDUSTAT,,59603622,O=C1N(NC=C1N1C=CN=N1)C1=NC=NC(=C1)N1CCOCC1,"InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2",IJMBOKOTALXLKS-UHFFFAOYSA-N
DB15643,23435-23-6,N-(2-Aminoethyl)-1-aziridineethanamine,experimental,"['15492138', '28780421', '8891468']",,,,,,,ZINC000019366387,CHEMBL398940,50233798,,145998,98888,NCCNCCN1CC1,"InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2",XJNAQZHMIAKQOK-UHFFFAOYSA-N
DB15644,28882-53-3,Ochromycinone,investigational,,,,,,,,ZINC000006481654,CHEMBL256705,,STA-21,,11808929,C[C@@H]1CC(=O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=CC=C2C1,"InChI=1S/C19H14O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-6,9,20H,7-8H2,1H3/t9-/m0/s1",ZAWXOCUFQSQDJS-VIFPVBQESA-N
DB15645,27200-12-0,Dihydromyricetin,investigational,,,,,,,,ZINC000100037633,CHEMBL3348861,212434,,28429,161557,O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",KJXSIXMJHKAJOD-LSDHHAIUSA-N
DB15646,869939-83-3,Fasitibant,investigational,,,,,,,,,CHEMBL218427,50411275,FASITIBANT,,11498853,CC1=NC2=C(C=CC=C2OCC2=C(Cl)C=CC(=C2Cl)S(=O)(=O)NC2(CCOCC2)C(=O)N2CCN(CC2)C(=O)[C@@H](N)CCC[N+](C)(C)C)C(C)=C1,"InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1",FQVSDHOWSLEEKJ-LJAQVGFWSA-N
DB15647,1297537-33-7,Ketodarolutamide,experimental,,,,,,,,ZINC000117197765,CHEMBL4524159,309976,,,52919826,C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)=O,"InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1",GMBPVBVTPBWIKC-NSHDSACASA-N
DB15648,1305-78-8,Calcium oxide,experimental,,,,28728,,,,,CHEMBL2104397,,,,14778,O=[Ca],InChI=1S/Ca.O,ODINCKMPIJJUCX-UHFFFAOYSA-N
DB15649,9007-20-9,Carbomer,experimental,,,,235535,,,,,,,,,,,,
DB15650,1296200-77-5,Efpeglenatide,investigational,,,,,,,,,,,,,,,,
DB15651,195156-77-5,Valomaciclovir stearate,investigational,,,,,,,,ZINC000008214706,CHEMBL2105845,,MIV 606,,135399823,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CCOC(=O)[C@@H](N)C(C)C)CN1C=NC2=C1N=C(N)NC2=O,"InChI=1S/C33H58N6O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(40)44-23-26(20-21-43-32(42)28(34)25(2)3)22-39-24-36-29-30(39)37-33(35)38-31(29)41/h24-26,28H,4-23,34H2,1-3H3,(H3,35,37,38,41)/t26-,28+/m1/s1",ACBSZTQIFTYFGH-IAPPQJPRSA-N
DB15652,1242087-93-9,Ravidasvir,investigational,,,,,,,,,CHEMBL3121849,,RAVIDASVIR HYDROCHLORIDE,,52918888,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC(=CN1)C1=CC2=C(C=C1)C=C(C=C2)C1=CC2=C(NC(=N2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C=C1,"InChI=1S/C42H50N8O6/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-33(49)37-43-22-32(46-37)29-14-13-25-19-26(11-12-27(25)20-29)28-15-16-30-31(21-28)45-38(44-30)34-10-8-18-50(34)40(52)36(24(3)4)48-42(54)56-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54)/t33-,34-,35-,36-/m0/s1",LCHMHYPWGWYXEL-ZYADHFCISA-N
DB15653,865363-93-5,Islatravir,investigational,,,D11432,,,,,,CHEMBL517231,,ISLATRAVIR,,6483431,NC1=NC(F)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@](CO)(O1)C#C,"InChI=1S/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1",IKKXOSBHLYMWAE-QRPMWFLTSA-N
DB15654,,Moderna COVID-19 Vaccine,"['approved', 'investigational']","['32663912', '32800805']",,,,,,,,,,,,,,,
DB15655,,Ad5-nCoV,investigational,,,,,,,,,,,,,,,,
DB15656,2420395-83-9,AstraZeneca COVID-19 Vaccine,"['approved', 'investigational']","['33306989', '28579232']",,,,,,,,,,,,,,,
DB15657,,Ala-geninthiocin,experimental,30356080,,,,,,,,,,,,,C\C=C1/NC(=O)[C@@H](NC(=O)C2=CSC(=N2)C2=CC=C(N=C2C2=COC(=N2)C(=C)NC(=O)C(=C)NC(=O)C2=C(C)OC(=N2)C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)C2=COC1=N2)C(C)(C)O)C(=O)NC(=C)C(=O)N[C@@H](C)C(N)=O)[C@H](C)O,"InChI=1S/C50H51N15O15S/c1-12-27-48-61-30(16-79-48)41(72)54-21(5)39(70)65-35(50(10,11)77)45(76)57-23(7)47-64-33(25(9)80-47)44(75)55-20(4)38(69)56-22(6)46-60-29(15-78-46)34-26(49-62-31(17-81-49)42(73)63-32(24(8)66)43(74)59-27)13-14-28(58-34)40(71)53-19(3)37(68)52-18(2)36(51)67/h12-18,24,32,35,66,77H,3-7H2,1-2,8-11H3,(H2,51,67)(H,52,68)(H,53,71)(H,54,72)(H,55,75)(H,56,69)(H,57,76)(H,59,74)(H,63,73)(H,65,70)/b27-12-/t18-,24-,32-,35+/m0/s1",BBBBJIKNQHYHNP-LIDBZPKISA-N
DB15658,1124-04-5,"2-chloro-4,5-dimethylphenol",experimental,,,,2286250,,,,ZINC000000404321,CHEMBL3183654,,,,70754,CC1=CC(O)=C(Cl)C=C1C,"InChI=1S/C8H9ClO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3",PSOJLBXHRBFLLQ-UHFFFAOYSA-N
DB15659,514-12-5,"alpha,alpha-Dibromo-D-camphor",experimental,,,,1858362,,,,ZINC000000345401,,,,,825790,CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2(Br)Br,"InChI=1S/C10H14Br2O/c1-8(2)6-4-5-9(8,3)7(13)10(6,11)12/h6H,4-5H2,1-3H3/t6-,9-/m0/s1",OFAQZCPBQBALHS-RCOVLWMOSA-N
DB15660,3258-02-4,N4-Hydroxycytidine,experimental,"['16723558', '29167335', '31494195', '7366595', '31910262', '31645453']",,,,,,,,CHEMBL2178720,430624,,180654,197020,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(NO)=NC1=O,"InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1",XCUAIINAJCDIPM-XVFCMESISA-N
DB15661,2349386-89-4,Molnupiravir,investigational,"['31910262', '31645453']",,,,,,,,CHEMBL4650320,495557,EIDD-2801,180653,145996610,CC(C)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C\C(NC1=O)=N\O,"InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1",HTNPEHXGEKVIHG-QCNRFFRDSA-N
DB15662,1561-06-4,Myristyl glyceryl ether,experimental,,,,2287736,,,,,,,,144328,64674,CCCCCCCCCCCCCCOCC(O)CO,"InChI=1S/C17H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h17-19H,2-16H2,1H3",JSSKAZULTFHXBH-UHFFFAOYSA-N
DB15663,8016-20-4,Grapefruit oil,experimental,,,,1309212,,,,,,,,,,,,
DB15664,83-69-2,Vitamin K7,experimental,,,,2276893,,,,,,,,,66524,CC1=CC(O)=C2C=CC=CC2=C1N,"InChI=1S/C11H11NO/c1-7-6-10(13)8-4-2-3-5-9(8)11(7)12/h2-6,13H,12H2,1H3",YJRCNAAPGQBVFS-UHFFFAOYSA-N
DB15665,1310426-33-5,SEP-363856,investigational,32294346,,,,,,,ZINC000205013646,CHEMBL4650337,,SEP-363856,,89532783,CNC[C@@H]1OCCC2=C1SC=C2,"InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1",ABDDQTDRAHXHOC-QMMMGPOBSA-N
DB15666,55406-53-6,Iodopropynyl butylcarbamate,experimental,,,,1426467,,,,ZINC000001850357,CHEMBL1893913,,,83279,62097,CCCCNC(=O)OCC#CI,"InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)",WYVVKGNFXHOCQV-UHFFFAOYSA-N
DB15667,,Bacillus amyloliquefaciens,experimental,,,,2359256,,,,,,,,,,,,
DB15668,20667-12-3,Silver oxide,experimental,,,,1368701,,,,,,,,,18709950,[Ag]O[Ag],InChI=1S/2Ag.O,KHJDQHIZCZTCAE-UHFFFAOYSA-N
DB15669,1629229-37-3,Fezolinetant,investigational,,,,,,,,ZINC000218861630,CHEMBL3608680,50112244,ESN364,,117604931,C[C@H]1N(CCN2C1=NN=C2C1=NC(C)=NS1)C(=O)C1=CC=C(F)C=C1,"InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1",PPSNFPASKFYPMN-SECBINFHSA-N
DB15670,1425381-60-7,Gusacitinib,investigational,,,,,,,,,CHEMBL4594275,,ASN002,,71269142,OC1CCN(CC1)C1=CC=C(NC2=C3C(=O)NN=CC3=NC(=N2)N2CCC(CC#N)CC2)C=C1,"InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)",NLFLXLJXEIUQDL-UHFFFAOYSA-N
DB15671,441785-25-7,Besifovir,investigational,,,,,,,,ZINC000001553339,CHEMBL329091,,BESIFOVIR,,5270766,NC1=NC=C2N=CN(CC3(CC3)OCP(O)(O)=O)C2=N1,"InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)",KDNSSKPZBDNJDF-UHFFFAOYSA-N
DB15672,1383450-81-4,Rilematovir,investigational,,,,,,6YA,,,CHEMBL4437054,50542657,RILEMATOVIR,,118892432,CS(=O)(=O)CCCN1C(CN2C(=O)N(CC(F)(F)F)C3=C2C=NC=C3)=CC2=C1C=CC(Cl)=C2,"InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3",GTQTUABHRCWVLL-UHFFFAOYSA-N
DB15673,2189684-44-2,Lenacapavir,investigational,,,,,,QNG,,,CHEMBL4594438,,LENACAPAVIR,,133082658,[H][C@]12C[C@@]1([H])C(F)(F)C1=C2C(=NN1CC(=O)N[C@@H](CC1=CC(F)=CC(F)=C1)C1=NC(=CC=C1C1=CC=C(Cl)C2=C1N(CC(F)(F)F)N=C2NS(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F,"InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1",BRYXUCLEHAUSDY-WEWMWRJBSA-N
DB15674,1903763-82-5,Sisunatovir,investigational,,,,,,WVA,,,CHEMBL4297497,,RV-521,,132016492,NCC1=CC2=C(C=C1)N(CCCC(F)(F)F)C(CN1C(=O)C3(CC3)C3=C1C=C(F)C=C3)=N2,"InChI=1S/C23H22F4N4O/c24-15-3-4-16-19(11-15)31(21(32)22(16)7-8-22)13-20-29-17-10-14(12-28)2-5-18(17)30(20)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12-13,28H2",JOPCJJSYRPUEDS-UHFFFAOYSA-N
DB15675,1985605-59-1,Baloxavir,investigational,,,,2197842,,E4Z,,,CHEMBL4297215,,BALOXAVIR,,124081876,[H][C@@]12COCCN1C(=O)C1=C(O)C(=O)C=CN1N2[C@@H]1C2=C(SCC3=C1C=CC(F)=C3F)C=CC=C2,"InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1",FIDLLEYNNRGVFR-CTNGQTDRSA-N
DB15676,2148321-77-9,Balstilimab,investigational,,,,,,,,,,,,,,,,
DB15677,133029-32-0,Polyaminopropyl biguanide,experimental,,,,1314381,,,,,,,,,,,,
DB15678,1322-14-1,Calcium undecylenate,"['experimental', 'approved']",,,,89746,,,,,CHEMBL2104130,,CALCIUM UNDECYLENATE,,14865,[Ca++].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C,"InChI=1S/2C11H20O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2",CLOKKBBIKHZGNX-UHFFFAOYSA-L
DB15679,142-03-0,Aluminum subacetate,"['experimental', 'approved']",,,,235461,,,,,CHEMBL1532734,,,,10197832,CC(=O)O[Al](O)OC(C)=O,"InChI=1S/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3",HQQUTGFAWJNQIP-UHFFFAOYSA-K
DB15680,,Neisseria meningitidis group A capsular polysaccharide tetanus toxoid conjugate antigen,approved,,,,2360571,,,,,,,,,,,,
DB15681,,Neisseria meningitidis group C capsular polysaccharide tetanus toxoid conjugate antigen,approved,,,,2360572,,,,,,,,,,,,
DB15682,,Neisseria meningitidis group Y capsular polysaccharide tetanus toxoid conjugate antigen,approved,,,,2360574,,,,,,,,,,,,
DB15683,,Neisseria meningitidis group W-135 capsular polysaccharide tetanus toxoid conjugate antigen,approved,,,,2360573,,,,,,,,,,,,
DB15684,84-58-2,"2,3-dichloro-5,6-dicyanobenzoquinone",experimental,,,,2288812,,,,ZINC000000154474,CHEMBL3759231,,,,6775,ClC1=C(Cl)C(=O)C(C#N)=C(C#N)C1=O,InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13,HZNVUJQVZSTENZ-UHFFFAOYSA-N
DB15685,2152628-33-4,Selpercatinib,"['approved', 'investigational']","['32083997', '31715421', '31988000', '25047660', '2992805', '32296961']",,,2370147,,,5393,,CHEMBL4559134,296429,RETEVMO,,134436906,COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1,"InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3",XIIOFHFUYBLOLW-UHFFFAOYSA-N
DB15686,1191237-69-0,GS-441524,experimental,"['32258351', '28262699', '32054787', '29778200']",,,,,U08,,ZINC000084586789,CHEMBL2016757,,GS 441524,147281,44468216,NC1=NC=NN2C1=CC=C2[C@@]1(O[C@H](CO)[C@@H](O)[C@H]1O)C#N,"InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1",BRDWIEOJOWJCLU-LTGWCKQJSA-N
DB15687,22006-64-0,Tridecactide,investigational,,,,,,,,,CHEMBL438402,82406,,,16131138,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O,"InChI=1S/C75H106N20O19S/c1-41(2)62(74(113)114)94-72(111)59-19-12-29-95(59)73(112)53(17-9-10-27-76)85-60(99)37-83-64(103)56(33-44-35-82-49-16-8-7-15-47(44)49)91-65(104)50(18-11-28-81-75(78)79)86-68(107)55(31-42-13-5-4-6-14-42)90-70(109)57(34-45-36-80-40-84-45)92-66(105)51(24-25-61(100)101)87-67(106)52(26-30-115-3)88-71(110)58(39-97)93-69(108)54(89-63(102)48(77)38-96)32-43-20-22-46(98)23-21-43/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,82,96-98H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H,80,84)(H,83,103)(H,85,99)(H,86,107)(H,87,106)(H,88,110)(H,89,102)(H,90,109)(H,91,104)(H,92,105)(H,93,108)(H,94,111)(H,100,101)(H,113,114)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1",VGBVAARMQYYITG-DESRROFGSA-N
DB15688,1337918-83-8,Vazegepant,investigational,,,,,,,,ZINC000096271995,CHEMBL2397415,50436107,VAZEGEPANT,,53472683,CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2,"InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1",JJVAPHYEOZSKJZ-JGCGQSQUSA-N
DB15689,892497-01-7,Azoximer bromide,investigational,,,,,,,,,,,,,,,,
DB15690,94153-53-4,Fluoroestradiol F-18,approved,"['27307345', '32210584', '9257333']",,,2372221,,,5395,ZINC000100657549,CHEMBL4594261,,,,10869981,[H][C@@]12C[C@@H]([18F])[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,"InChI=1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i19-1",KDLLNMRYZGUVMA-ZYMZXAKXSA-N
DB15691,,Anti-SARS-CoV-2 REGN-COV2,investigational,,,,,,,,,,,,,,,,
DB15692,,COVID-19 convalescent plasma,investigational,32525844,,,,,,,,,,,,,,,
DB15693,,INO-4800,investigational,"['24051434', '32433465']",,,,,,,,,,,,,,,
DB15694,1141397-80-9,Cedazuridine,"['approved', 'investigational']","['30926081', '30041243', '31020568', '27023522', '24520856', '32285126', '28297619']",,,2384449,,,5402,ZINC000043205136,CHEMBL3237547,50007029,E-7727,,25267009,OC[C@H]1O[C@@H](N2CC[C@@H](O)NC2=O)C(F)(F)[C@@H]1O,"InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1",VUDZSIYXZUYWSC-DBRKOABJSA-N
DB15695,,BNT162b1 SARS-CoV-2 Vaccine,investigational,,,,,,,,,,,,,,,,
DB15696,2417899-77-3,Pfizer-BioNTech COVID-19 Vaccine,"['approved', 'investigational']",33301246,,,2468230,,,,,,,,,,,,
DB15697,,BNT162a1 SARS-CoV-2 Vaccine,investigational,,,,,,,,,,,,,,,,
DB15698,,BNT162c2 SARS-CoV-2 Vaccine,investigational,,,,,,,,,,,,,,,,
DB15699,,Brexucabtagene autoleucel,approved,"['30963600', '30528964', '32242358', '29058502', '30154113', '29910620']",,,2387277,,,,,,,,,,,,
DB15700,,Influenza A virus A/Hawaii/70/2019 (H1N1) recombinant hemagglutinin antigen,approved,,,,2380835,,,,,,,,,,,,
DB15701,,Influenza A virus A/Minnesota/41/2019 (H3N2) recombinant hemagglutinin antigen,approved,,,,2380836,,,,,,,,,,,,
DB15702,,Influenza B virus B/Washington/02/2019 recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB15703,,Influenza A virus A/Guangdong-Maonan/SWL1536/2019 CNIC-1909 (H1N1) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB15704,,Influenza A virus A/Hong Kong/2671/2019 IVR-208 (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB15705,,Influenza A virus A/Victoria/2454/2019 IVR-207 (H1N1) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB15706,,Influenza B virus B/Victoria/705/2018 BVR-11 antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB15707,,"Influenza A virus A/Nebraska/14/2019 (H1N1) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,2380837,,,,,,,,,,,,
DB15708,,"Influenza A virus A/Delaware/39/2019 (H3N2) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,2380834,,,,,,,,,,,,
DB15709,,"Influenza B virus B/Darwin/7/2019 antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,2380838,,,,,,,,,,,,
DB15710,,Influenza A virus A/Hong Kong/2671/2019 NIB-121 (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB15711,,Influenza A virus A/Victoria/2454/2019 IVR-207 (H1N1) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB15712,,Influenza A virus A/Hong Kong/2671/2019 IVR-208 (H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB15713,,Influenza B virus B/Victoria/705/2018 BVR-11 antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB15714,,"Influenza A virus A/Guangdong-Maonan/SWL1536/2019 CNIC-1909 (H1N1) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB15715,,"Influenza A virus A/Hong Kong/2671/2019 NIB-121 (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB15716,,"Influenza B virus B/Washington/02/2019 antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB15717,906068-56-2,Theralizumab,investigational,"['26959227', '16612349']",,,,,,,,,,,,,,,
DB15718,2423943-37-5,Bamlanivimab,"['approved', 'investigational']","['33113295', '33024963']",,,2463114,,,,,,,,,,,,
DB15719,2050232-20-5,Belantamab mafodotin,approved,"['30894515', '16478695', '16417259', '32107339', '15389672', '32759303', '28653357', '32729730', '31362431']",,,2387833,,,,,,,,,,,,
DB15720,60388-02-5,Zinc orotate,experimental,,,,11422,,,,,,,,,136672228,[Zn++].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C1=CC(=O)NC(=O)N1,"InChI=1S/2C5H4N2O4.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",YNMDOZLVAPMCBD-UHFFFAOYSA-L
DB15721,,Natural Killer Cell,investigational,"['23906377', '32334062', '28823521', '29512837', '30325244', '31411057']",,,,,,,,,,,,,,,
DB15722,,CYNK-001,investigational,32334062,,,,,,,,,,,,,,,
DB15723,,Umbilical Cord Blood Hematopoietic Stem Cells,investigational,"['30284087', '25784094', '15690974', '28951720']",,,,,,,,,,,,,,,
DB15724,,Human umbilical cord blood mononuclear cell-conditioned medium,investigational,"['23336598', '17588481']",,,,,,,,,,,,,,,
DB15725,,IL15-NK Cell,investigational,"['30591446', '15358647', '28668320', '28972539', '28823521']",,,,,,,,,,,,,,,
DB15726,,Human Umbilical Cord Mesenchymal Stem Cells,investigational,"['18703664', '25622293', '26067213']",,,,,,,,,,,,,,,
DB15727,,NKG2D-ACE2 CAR-NK Cell,investigational,"['30075127', '30082067', '28823521']",,,,,,,,,,,,,,,
DB15728,,Allogenic Human Umbilical Derived Mesenchymal Stem Cells in Conditioned Media,investigational,"['30595826', '26024475']",,,,,,,,,,,,,,,
DB15729,,Adipose-Derived Mesenchymal Stem Cells: Autologous or Allogeneic Origins,investigational,"['31121953', '30808416']",,,,,,,,,,,,,,,
DB15730,,Placental Mesenchymal Stem Cells,investigational,"['31935836', '29568084']",,,,,,,,,,,,,,,
DB15731,,Allogenic Donor CD362-enriched Human Umbilical Cord-derived Mesenchymal Stem Cells,investigational,"['28595619', '29425678', '29358953', '30808416']",,,,,,,,,,,,,,,
DB15732,,FT516,investigational,31856277,,,,,,,,,,,,,,,
DB15733,,Lactobacillus coryniformis K8,investigational,29124387,,,,,,,,,,,,,,,
DB15734,,Human Embryonic Stem Cell-derived M Cell,investigational,32546764,,,,,,,,,,,,,,,
DB15735,,Virus Specific T-Cell,investigational,"['29075259', '29032062']",,,,,,,,,,,,,,,
DB15736,2416824-55-8,Alunacedase alfa,investigational,"['23681967', '28877748']",,,,,,,,,,,,,,,
DB15737,,Dental Mesenchymal Pulp Stem Cells,investigational,"['27240827', '28687960', '30806262']",,,,,,,,,,,,,,,
DB15738,,Human Menstrual Blood-derived Stem Cells,investigational,"['27308237', '31292483']",,,,,,,,,,,,,,,
DB15739,,Mesenchymoangioblast-derived mesenchymal stem cells,investigational,"['26740280', '30768365']",,,,,,,,,,,,,,,
DB15740,,Allogenic Pooled Olfactory Mucosa-derived Mesenchymal Stem Cells,investigational,32411249,,,,,,,,,,,,,,,
DB15741,,Recombinant Bacterial ACE2 Receptors-like Enzyme,investigational,"['23681967', '28877748', '32103002']",,,,,,,,,,,,,,,
DB15742,,MultiStem,investigational,"['27493716', '31555259']",,,,,,,,,,,,,,,
DB15743,,Stem-cell derived exosome vesicle products,investigational,"['31118291', '30992990', '25765629']",,,,,,,,,,,,,,,
DB15744,,CAP-1002,investigational,"['27543900', '26696563', '32399655', '31118291', '30674601']",,,,,,,,,,,,,,,
DB15745,,Washed Microbiota Transplantation,investigational,"['31919742', '32594725']",,,,,,,,,,,,,,,
DB15746,,Recombinant Human Plasma Gelsolin,investigational,"['32272559', '32690640', '31287867']",,,,,,,,,,,,,,,
DB15747,,CoviGlobulin,investigational,"['26441475', '20602207']",,,,,,,,,,,,,,,
DB15748,,Viral Macrophage-Inflammatory Protein,investigational,"['15494499', '20712376']",,,,,,,,,,,,,,,
DB15749,,Interferon Kappa,investigational,"['22410872', '11514542']",,,,,,,,,,,,,,,
DB15750,,Trefoil Factor 2,investigational,"['22896633', '20587547', '17101660']",,,,,,,,,,,,,,,
DB15751,,MRx-4DP0004,investigational,30104645,,,,,,,,,,,,,,,
DB15752,,Recombinant Super-Compound Interferon,investigational,,,,,,,,,,,,,,,,
DB15753,,Interferon Gamma,investigational,"['22896633', '22410872', '10688427', '30318081']",L03AB03,,5885,,,,,,,,,,,,
DB15756,,Influenza A virus A/Hawaii/66/2019 (H1N1) live (attenuated) antigen,approved,,,,2388136,,,,,,,,,,,,
DB15757,,Influenza A virus A/Hong Kong/2671/2019 (H3N2) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB15758,,Influenza B virus B/Washington/02/2019 live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB15759,13182-89-3,Metronidazole benzoate,experimental,,,,103866,,,,ZINC000000163922,CHEMBL1466172,,METRONIDAZOLE BENZOATE,50688,83213,CC1=NC=C(N1CCOC(=O)C1=CC=CC=C1)[N+]([O-])=O,"InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3",CUUCCLJJOWSASK-UHFFFAOYSA-N
DB15760,10124-43-3,Cobaltous sulfate,experimental,,,,1362742,,,,,,,,53470,24965,[Co++].[O-]S([O-])(=O)=O,"InChI=1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",KTVIXTQDYHMGHF-UHFFFAOYSA-L
DB15761,69388-79-0,Sulbactam pivoxil,experimental,,,,166010,,,2493,ZINC000004217478,CHEMBL423875,,,135467,9997821,[H][C@@]12CC(=O)N1[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S2(=O)=O,"InChI=1S/C14H21NO7S/c1-13(2,3)12(18)22-7-21-11(17)10-14(4,5)23(19,20)9-6-8(16)15(9)10/h9-10H,6-7H2,1-5H3/t9-,10+/m1/s1",OHPVYKXTRACOSQ-ZJUUUORDSA-N
DB15762,1535963-91-7,Satralizumab,approved,"['32797372', '32228250', '32052309']",,,2391551,,,,,,,,,,,,
DB15763,53858-86-9,Iron polymaltose,experimental,,,,37744,,,,,,,,,76960246,[OH-].[OH-].[OH-].[Fe+3].OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]1O,"InChI=1S/C12H22O11.Fe.3H2O/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12;;;;/h1,4-12,14-21H,2-3H2;;3*1H2/q;+3;;;/p-3/t4-,5+,6+,7+,8+,9+,10-,11+,12-;;;;/m0..../s1",PKMVWNYIYVZXIQ-MPAYLTKRSA-K
DB15764,94-44-0,Benzyl nicotinate,experimental,,,,31767,,0OM,3379,ZINC000000391816,CHEMBL209744,,,31268,7191,O=C(OCC1=CC=CC=C1)C1=CC=CN=C1,"InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2",KVYGGMBOZFWZBQ-UHFFFAOYSA-N
DB15765,2072873-06-2,Sintilimab,investigational,,,,,,,,,,,,,,,,
DB15766,2079108-44-2,Retifanlimab,investigational,,,,,,,,,,,,,,,,
DB15767,1422184-00-6,AMP-224,investigational,,,,,,,,,,,,,,,,
DB15768,,MEDI0680,investigational,,,,,,,,,,,,,,,,
DB15769,2102192-68-5,Envafolimab,investigational,,,,,,,,,,,,,,,,
DB15770,2216751-26-5,Cosibelimab,investigational,,,,,,,,,,,,,,,,
DB15771,1353563-85-5,AUNP-12,investigational,,,,,,,,,,,,,,,,
DB15772,,CA-170,investigational,,,,,,,,,,,,,,,,
DB15773,,anti-OX40 antibody BMS 986178,investigational,,,,,,,,,,,,,,,,
DB15774,26339-90-2,beta-Escin,experimental,,,,1476,,,,,CHEMBL505939,50466108,,2500,6476031,[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C/C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@@]54C)[C@@]3(C)CO)O[C@@H]2C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1",AXNVHPCVMSNXNP-OXPBSUTMSA-N
DB15775,24356-94-3,Algestone acetophenide,experimental,,,,,,,797,ZINC000004172334,CHEMBL3989742,,,49327,5284538,[H][C@@]12C[C@H]3O[C@](C)(O[C@@]3(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C1=CC=CC=C1,"InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1",AHBKIEXBQNRDNL-FVCOMRFXSA-N
DB15776,8007-70-3,Anise oil,experimental,,,,90926,,,,,,,,,,,,
DB15777,29205-06-9,Fluocortolone pivalate,experimental,,,,4465,,,,ZINC000030691645,,,,177427,119871,[H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1",XZBJVIQXJHGUBE-HZMVJJPJSA-N
DB15778,10034-85-2,Hydrogen iodide,experimental,,,,27208,,,,,CHEMBL1233550,,,43451,21844680,I[H],InChI=1S/HI/h1H,XMBWDFGMSWQBCA-UHFFFAOYSA-N
DB15779,78266-06-5,Mebrofenin,"['experimental', 'approved']",,,,1311500,,,3332,ZINC000000537957,CHEMBL1605443,,MEBROFENIN,135608,54158,CC1=CC(C)=C(Br)C(C)=C1NC(=O)CN(CC(O)=O)CC(O)=O,"InChI=1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)",MHPZZZZLAQGTHT-UHFFFAOYSA-N
DB15780,66516-09-4,Mertiatide,experimental,,,,,,,,ZINC000004194756,CHEMBL1615778,,MERTIATIDE,,60778,OC(=O)CNC(=O)CNC(=O)CNC(=O)CS,"InChI=1S/C8H13N3O5S/c12-5(2-10-7(14)4-17)9-1-6(13)11-3-8(15)16/h17H,1-4H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16)",RXACEEPNTRHYBQ-UHFFFAOYSA-N
DB15781,,Hu-rhEGF-rP64k/Mont,investigational,,,,,,,,,,,,,,,,
DB15782,540-10-3,Cetyl palmitate,experimental,,,,1311485,,,,ZINC000008437455,CHEMBL2106073,,CETYL PALMITATE,75584,10889,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3",PXDJXZJSCPSGGI-UHFFFAOYSA-N
DB15783,13479-13-5,Pargeverine,experimental,,,,76273,,,2064,ZINC000002019610,CHEMBL1872101,,,135433,17700,CN(C)CCOC(=O)C(OCC#C)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H23NO3/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3/h1,5-14H,15-17H2,2-3H3",QNPHCSSJLHAKSA-UHFFFAOYSA-N
DB15784,147568-66-9,Carmoterol,experimental,,,,,,WHJ,,ZINC000034853956,CHEMBL1094785,50318156,CARMOTEROL,,86306667,COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC=C(O)C3=C2C=CC(=O)N3)C=C1,"InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1",IHOXNOQMRZISPV-YJYMSZOUSA-N
DB15785,7712-50-7,Myrtecaine,experimental,,,,59082,,,3787,,,,,135096,76969111,CCN(CC)CCOCCC1=CC[C@H]2C[C@@H]1C2(C)C,"InChI=1S/C17H31NO/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4/h7,15-16H,5-6,8-13H2,1-4H3/t15-,16-/m0/s1",BZRYYBWNOUALTQ-HOTGVXAUSA-N
DB15786,,Maritime pine extract,experimental,,,,1368708,,,,,,,,,,,,
DB15787,,AZD7442,investigational,,,,,,,,,,,,,,,,
DB15788,,Influenza B virus B/Phuket/3073/2013 BVR-1B antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB15789,,Alpinia officinarum leaf,experimental,,,,1307832,,,,,,,,,,,,
DB15790,5668-06-4,Mecloxamine,experimental,,,,,,,1652,,CHEMBL2105171,,,135360,3045406,CC(CN(C)C)OC(C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C19H24ClNO/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17/h5-13,15H,14H2,1-4H3",WILANEPAIMJUCP-UHFFFAOYSA-N
DB15791,865110-07-2,MK-0668,experimental,,,,,,,,ZINC000049898142,CHEMBL506044,50423686,,,11433918,OC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=NC=C2Cl)C=C1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C1=CC=CC(=C1)C#N)NC1CCC1,"InChI=1S/C31H30Cl2N6O6S/c32-24-15-35-16-25(33)28(24)30(41)37-21-9-7-18(8-10-21)12-26(31(42)43)38-29(40)27-13-22(36-20-4-2-5-20)17-39(27)46(44,45)23-6-1-3-19(11-23)14-34/h1,3,6-11,15-16,20,22,26-27,36H,2,4-5,12-13,17H2,(H,37,41)(H,38,40)(H,42,43)/t22-,26+,27+/m1/s1",USYYNLPEWBGIMJ-ICTDUYRTSA-N
DB15793,127-82-2,Zinc phenolsulfonate,"['experimental', 'approved']",,,,89831,,,,,,,,,31391,[Zn++].OC1=CC=C(C=C1)S([O-])(=O)=O.OC1=CC=C(C=C1)S([O-])(=O)=O,"InChI=1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2",ZNVKGUVDRSSWHV-UHFFFAOYSA-L
DB15794,,Solcoseryl,investigational,,,,,,,,,,,,,,,,
DB15795,64-95-9,Adiphenine,"['withdrawn', 'approved']",,,,333,,,94,ZINC000001717372,CHEMBL353846,50395519,,94680,2031,CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3",JGOAIQNSOGZNBX-UHFFFAOYSA-N
DB15796,1417031-79-8,GC-376 free acid,experimental,"['28901812', '25694593', '29544147', '32855413', '30342822']",,,,,,,,CHEMBL2365410,496258,,,71481120,CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(O)(=O)=O,"InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1",BSPZFJDYQHDZNR-ASPXRTSYSA-N
DB15797,,GC-373,experimental,"['25694593', '32855413', '30342822']",,,,,,,,CHEMBL1821850,476983,,,54752934,CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC1CCNC1=O)C=O,"InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m0/s1",QYENXTYKACLCGO-FQECFTEESA-N
DB15798,,Mycobacterium w. Vaccine,investigational,"['27891733', '18243430', '18981249']",,,,,,,,,,,,,,,
DB15799,,LNP-nCoVsaRNA Vaccine,investigational,32854391,,,,,,,,,,,,,,,
DB15800,,VA-MENGOC-BC®,investigational,"['31242158', '29420119', '16673438', '32335565']",,,,,,,,,,,,,,,
DB15801,,VPM1002,investigational,"['28974949', '24702486', '23290835']",,,,,,,,,,,,,,,
DB15802,,AV-COVID-19,investigational,,,,,,,,,,,,,,,,
DB15803,,Dendritic cells vaccine,investigational,32793245,,,,,,,,,,,,,,,
DB15804,,LV-SMENP Vaccine,investigational,,,,,,,,,,,,,,,,
DB15805,,SCB-2019,investigational,,,,,,,,,,,,,,,,
DB15806,,CoronaVac,investigational,"['32376603', '32854391']",,,,,,,,,,,,,,,
DB15807,,BBIBP-CorV,investigational,"['32778225', '32854391']",,,,,,,,,,,,,,,
DB15808,,CIGB 2020 Vaccine,investigational,,,,,,,,,,,,,,,,
DB15809,,CIGB-258 peptide,investigational,,,,,,,,,,,,,,,,
DB15810,,Nuvaxovid,investigational,"['32877576', '33446655', '34192426', '34485950']",,,,,,,,,,,,,,,
DB15811,,BacTRL-spike,investigational,,,,,,,,,,,,,,,,
DB15812,,V-SARS,investigational,,,,,,,,,,,,,,,,
DB15813,,Covid-19 Coronavirus Artificial Antigen Presenting Cell Vaccine,investigational,,,,,,,,,,,,,,,,
DB15814,,COVID19 s-vax loaded autologous dendritic cell vaccine,investigational,"['29510745', '16187085', '19155516']",,,,,,,,,,,,,,,
DB15815,,Boldo leaf extract,"['experimental', 'approved']",,,,1310049,,,,,,,,,,,,
DB15816,62008-22-4,Calcium monoethylfumarate,experimental,,,,,,,,,,,,,71309275,[Ca++].CCOC(=O)\C=C\C([O-])=O.CCOC(=O)\C=C\C([O-])=O,"InChI=1S/2C6H8O4.Ca/c2*1-2-10-6(9)4-3-5(7)8;/h2*3-4H,2H2,1H3,(H,7,8);/q;;+2/p-2/b2*4-3+;",WOONQYHBMBCNDD-SYWGCQIGSA-L
DB15817,83918-60-9,Magnesium monoethylfumarate,experimental,,,,,,,,,,,,,9796734,[Mg++].CCOC(=O)\C=C\C([O-])=O.CCOC(=O)\C=C\C([O-])=O,"InChI=1S/2C6H8O4.Mg/c2*1-2-10-6(9)4-3-5(7)8;/h2*3-4H,2H2,1H3,(H,7,8);/q;;+2/p-2/b2*4-3+;",ZHLRSUSHKGQBNV-SYWGCQIGSA-L
DB15818,62008-21-3,Zinc monoethylfumarate,experimental,,,,,,,,,,,,,9841391,[Zn++].CCOC(=O)\C=C\C([O-])=O.CCOC(=O)\C=C\C([O-])=O,"InChI=1S/2C6H8O4.Zn/c2*1-2-10-6(9)4-3-5(7)8;/h2*3-4H,2H2,1H3,(H,7,8);/q;;+2/p-2/b2*4-3+;",DASOVGGSCVXZMC-SYWGCQIGSA-L
DB15819,7259-25-8,Potassium aspartate,"['experimental', 'approved']",,,,8589,,,,,CHEMBL3989852,,,,71586907,[H+].[H+].O.[K+].[K+].N[C@@H](CC([O-])=O)C([O-])=O.N[C@@H](CC([O-])=O)C([O-])=O,"InChI=1S/2C4H7NO4.2K.H2O/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;1H2/q;;2*+1;/p-2/t2*2-;;;/m00.../s1",YKZPPPNXRZHVGX-PXYKVGKMSA-L
DB15820,9025-56-3,Hemicellulase,experimental,,,,26514,,,,,,,,,,,,
DB15821,303-40-2,Fluocortolone caproate,experimental,,,,4464,,,,ZINC000004213356,CHEMBL2107415,,FLUOCORTOLONE CAPROATE,177866,20054915,[H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)CCCCC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,"InChI=1S/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,22+,25-,26-,27+,28+/m1/s1",WHZRCUIISKRTJL-YTZKRAOUSA-N
DB15822,2097132-94-8,Pralsetinib,"['approved', 'investigational']","['30257958', '32083997', '31715421', '32782485', '25047660', '2992805', '32296961', '29657135']",,,2394936,,Q4J,5412,,CHEMBL4582651,,BLU-667,,,CO[C@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1,"InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27-/m0/s1",GBLBJPZSROAGMF-BATDWUPUSA-N
DB15823,68333-16-4,Lactobacillus acidophilus,"['experimental', 'approved']",,,,6205,,,,,,,,,,,,
DB15824,,Ferrimannitol ovalbumin,experimental,,,,,,,,,,,,,,,,
DB15825,16482-55-6,Dihydroxyaluminum sodium carbonate,experimental,,,,23163,,,,,CHEMBL3707202,,,,9793815,[Na+].O[Al+]O.[O-]C([O-])=O,"InChI=1S/CH2O3.Al.Na.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;+3;+1;;/p-4",SEIGJEJVIMIXIU-UHFFFAOYSA-J
DB15826,,Oxerutins,experimental,,,,67187,,,,,,,,,,,,
DB15827,29546-59-6,Ciclonium bromide,experimental,,,,,,,635,,CHEMBL2106096,,,,34625,[Br-].CC[N+](C)(CC)CCOC(C)(C1CC2CC1C=C2)C1=CC=CC=C1,"InChI=1S/C22H34NO.BrH/c1-5-23(4,6-2)14-15-24-22(3,20-10-8-7-9-11-20)21-17-18-12-13-19(21)16-18;/h7-13,18-19,21H,5-6,14-17H2,1-4H3;1H/q+1;/p-1",BOCNKEKVCTZYIX-UHFFFAOYSA-M
DB15830,472-11-7,Ruscogenin,experimental,,,D08498,35890,,,,ZINC000008234225,CHEMBL1169820,,,8913,441893,[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2,"InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1",QMQIQBOGXYYATH-IDABPMKMSA-N
DB15831,1460-34-0,alpha-Keto-beta-methylvaleric acid,experimental,,,,,,,,,,,,35932,47,CCC(C)C(=O)C(O)=O,"InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",JVQYSWDUAOAHFM-UHFFFAOYSA-N
DB15832,583-91-5,Desmeninol,experimental,,,,1738095,,,,,CHEMBL2104213,,,137228,11427,CSCCC(O)C(O)=O,"InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)",ONFOSYPQQXJWGS-UHFFFAOYSA-N
DB15833,24809-08-3,alpha-Keto-isoleucine,experimental,,,,,,1QQ,,ZINC000001532715,,,,15614,439286,CC[C@H](C)C(=O)C(O)=O,"InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1",JVQYSWDUAOAHFM-BYPYZUCNSA-N
DB15834,8002-43-5,Lecithin,experimental,,,,8214,,,,,,,,,,,,
DB15835,94087-98-6,Desonide sodium phosphate,experimental,,,,,,,,,,,,,90478905,[Na+].[Na+].[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COP([O-])([O-])=O,"InChI=1S/C24H33O9P.2Na/c1-21(2)32-19-10-16-15-6-5-13-9-14(25)7-8-22(13,3)20(15)17(26)11-23(16,4)24(19,33-21)18(27)12-31-34(28,29)30;;/h7-9,15-17,19-20,26H,5-6,10-12H2,1-4H3,(H2,28,29,30);;/q;2*+1/p-2/t15-,16-,17-,19+,20+,22-,23-,24+;;/m0../s1",IHTZFPUWMRSEMG-PXQDNWDYSA-L
DB15836,8007-20-3,Cedar leaf oil,experimental,,,,1309217,,,,,,,,,,,,
DB15838,,Orthosiphon aristatus leaf,"['experimental', 'approved']",,,,1309780,,,,,,,,,,,,
DB15839,,Hawthorn leaf with flower,experimental,,,,1309793,,,,,,,,,,,,
DB15840,8011-48-1,Pine tar,"['experimental', 'approved']",,,,8333,,,,,,,,,,,,
DB15841,16731-55-8,Potassium metabisulfite,experimental,,,,1362899,,,,,CHEMBL2106901,,,,139088993,[K+].[K+].[O-]S(=O)S([O-])(=O)=O,"InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2",RWPGFSMJFRPDDP-UHFFFAOYSA-L
DB15842,7681-57-4,Sodium metabisulfite,experimental,,,,36696,,,,,CHEMBL2016976,,,114786,656671,[Na+].[Na+].[O-]S(=O)S([O-])(=O)=O,"InChI=1S/2Na.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2",HRZFUMHJMZEROT-UHFFFAOYSA-L
DB15843,,CVnCoV Vaccine,investigational,,,,,,,,,,,,,,,,
DB15844,,CVnCoV,investigational,"['32854391', '32707833']",,,,,,,,,,,,,,,
DB15845,,COVID-19 Nucleocapsid-GM-CSF Protein Lactated Ringer's Injection,investigational,"['27560197', '32719685']",,,,,,,,,,,,,,,
DB15846,,Covax-19™,investigational,"['30218687', '32854391', '31009889']",,,,,,,,,,,,,,,
DB15847,,BBV152,investigational,32854391,,,,,,,,,,,,,,,
DB15848,,Gam-COVID-Vac,investigational,"['32854391', '32896291']",,,,,,,,,,,,,,,
DB15849,,SARS-CoV-2 Sclamp,investigational,32854391,,,,,,,,,,,,,,,
DB15850,,IMM-101,investigational,"['27599039', '21930686', '30107850']",,,,,,,,,,,,,,,
DB15851,,IMM101,investigational,,,,,,,,,,,,,,,,
DB15852,,Coronavirus-Like Particle COVID-19 Vaccine,investigational,32854391,,,,,,,,,,,,,,,
DB15853,,RUTI® Vaccine,investigational,"['24586912', '31114572', '19853680']",,,,,,,,,,,,,,,
DB15854,,MVC-COV1901,investigational,,,,,,,,,,,,,,,,
DB15855,,SARS-CoV-2 mRNA vaccine,investigational,"['32854391', '32795413']",,,,,,,,,,,,,,,
DB15856,,AG0301-COVID19,investigational,"['32854391', '32707833']",,,,,,,,,,,,,,,
DB15857,,Janssen COVID-19 Vaccine,"['approved', 'investigational']","['32731257', '32884153']",,,2479830,,,,,,,,,,,,
DB15858,,KBP-COVID-19,investigational,32854391,,,,,,,,,,,,,,,
DB15859,,NasoVAX,investigational,,,,,,,,,,,,,,,,
DB15860,,Cassia fistula fruit,experimental,,,,1307589,,,,,,,,,,,,
DB15861,2043-38-1,Buthiazide,experimental,,C03EA14,,19882,,,446,,CHEMBL2104197,,,135492,16274,CC(C)CC1NC2=C(C=C(C(Cl)=C2)S(N)(=O)=O)S(=O)(=O)N1,"InChI=1S/C11H16ClN3O4S2/c1-6(2)3-11-14-8-4-7(12)9(20(13,16)17)5-10(8)21(18,19)15-11/h4-6,11,14-15H,3H2,1-2H3,(H2,13,16,17)",HGBFRHCDYZJRAO-UHFFFAOYSA-N
DB15862,,Inactivated SARS-Cov-2 Vaccine,investigational,"['32789505', '32854391']",,,,,,,,,,,,,,,
DB15863,,Inactivated SARS-CoV-2 Vaccine (Chinese Academy of Medical Sciences),investigational,32854391,,,,,,,,,,,,,,,
DB15864,,Oral Polio Vaccine,investigational,"['30252295', '2982959']",,,,,,,,,,,,,,,
DB15865,,Pentaglobin,investigational,"['12903625', '16253792']",,,,,,,,,,,,,,,
DB15866,,CK0802,investigational,,,,,,,,,,,,,,,,
DB15867,,Autologous Non-Hematopoietic Peripheral Blood Stem Cells,investigational,,,,,,,,,,,,,,,,
DB15868,,Amniotic Epithelial Cells,investigational,29565036,,,,,,,,,,,,,,,
DB15869,,Platelet Lysate,investigational,32695804,,,,,,,,,,,,,,,
DB15870,,Probiorinse,investigational,31922358,,,,,,,,,,,,,,,
DB15871,,Human Amniotic Fluid,investigational,,,,,,,,,,,,,,,,
DB15872,33049-08-0,L-alpha-Glycerophosphorylethanolamine,experimental,,,,,,GPE,,ZINC000004095590,,,,143890,444183,NCCOP(O)(=O)OC[C@H](O)CO,"InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1",JZNWSCPGTDBMEW-RXMQYKEDSA-N
DB15873,1426155-87-4,Copper oxodotreotide Cu-64,approved,25952736,,,2396442,,,5411,,,,,,124220636,[64Cu++].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC(O)=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,"InChI=1S/C65H90N14O19S2.Cu/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+2/p-2/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1+0",IJRLLVFQGCCPPI-NVGRTJHCSA-L
DB15874,,Agalsidase alfa,approved,"['25010055', '17395657', '22768187', '30775256', '21698655', '28510034']",A16AB03,,259351,,,,,,,,,,,,
DB15875,621-23-8,"1,3,5-Trimethoxybenzene",experimental,,,,38716,,,,ZINC000000388241,CHEMBL1605492,,,31038,69301,COC1=CC(OC)=CC(OC)=C1,"InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3",LKUDPHPHKOZXCD-UHFFFAOYSA-N
DB15876,,Haemophilus influenzae b polysaccharide-tetanus conjugate,approved,,,,,,,,,,,,,,,,
DB15877,102580-74-5,Cetyltrimethylammonium naproxenate,experimental,,,,,,,,,,,,,91936934,COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C([O-])=O.CCCCCCCCCCCCCCCC[N+](C)(C)C,"InChI=1S/C19H42N.C14H14O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h5-19H2,1-4H3;3-9H,1-2H3,(H,15,16)/q+1;/p-1/t;9-/m.0/s1",RNQBLUNNAYFBIW-NPULLEENSA-M
DB15878,14259-85-9,Molybdate,experimental,,,,1546395,,MOO,,,,50159781,,36264,24621,[O-][Mo]([O-])(=O)=O,InChI=1S/Mo.4O/q;;;2*-1,MEFBJEMVZONFCJ-UHFFFAOYSA-N
DB15879,66455-30-9,Polygeline,experimental,,,,8521,,,,,,,,,,,,
DB15880,24967-94-0,Dermatan sulfate,experimental,,B01AX04,,,,,,,,,,,32756,,,
DB15881,17692-28-3,Clonazoline,experimental,,,,,,,,ZINC000000001193,CHEMBL2104096,,,,194702,ClC1=C2C=CC=CC2=C(CC2=NCCN2)C=C1,"InChI=1S/C14H13ClN2/c15-13-6-5-10(9-14-16-7-8-17-14)11-3-1-2-4-12(11)13/h1-6H,7-9H2,(H,16,17)",GPPLXTFJYCQMRB-UHFFFAOYSA-N
DB15882,515-59-3,Sulfamethylthiazole,experimental,,,,,,,2516,,,,,135107,68194,CC1=CSC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1,"InChI=1S/C10H11N3O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",KJVQYDYPDFFJMP-UHFFFAOYSA-N
DB15883,87234-24-0,Piroxicam cinnamate,experimental,,,,33787,,,655,ZINC000000608032,CHEMBL2106889,,,135749,6436090,CN1C(C(=O)NC2=CC=CC=N2)=C(OC(=O)\C=C\C2=CC=CC=C2)C2=C(C=CC=C2)S1(=O)=O,"InChI=1S/C24H19N3O5S/c1-27-22(24(29)26-20-13-7-8-16-25-20)23(18-11-5-6-12-19(18)33(27,30)31)32-21(28)15-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,25,26,29)/b15-14+",GPUVGQIASQNZET-CCEZHUSRSA-N
DB15884,2682-20-4,Methylisothiazolinone,experimental,,,,1367166,,,,ZINC000001849933,CHEMBL1620780,,,53620,39800,CN1SC=CC1=O,"InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3",BEGLCMHJXHIJLR-UHFFFAOYSA-N
DB15885,72156-70-8,Methacetin methoxy-C-13,experimental,,,,,,,,,,,,139355,9793926,CC(=O)NC1=CC=C(O[13CH3])C=C1,"InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i2+1",XVAIDCNLVLTVFM-VQEHIDDOSA-N
DB15886,5665-94-1,Carvasept,experimental,,,,,,,,ZINC000000155367,,248168,,,21874,CC(C)C1=C(Cl)C=C(C)C(O)=C1,"InChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3",AFFXNOIULZQAML-UHFFFAOYSA-N
DB15887,407582-13-2,Fluorocholine F-18,experimental,,V09IX07,,,,,,,,,,,10011857,C[N+](C)(C)CC[18F],"InChI=1S/C5H13FN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1/i6-1",WOAGQHQTBSCFJV-KWCOIAHCSA-N
DB15888,4546-39-8,Pipethanate,experimental,,,,,,,2191,ZINC000000188746,CHEMBL1722893,,,135438,20674,OC(C(=O)OCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2",RZWPJFMNFATBEG-UHFFFAOYSA-N
DB15889,,Senna leaf,"['experimental', 'approved']",,,,485853,,,,,,,,,,,,
DB15890,,RAPA-501-Allo,investigational,,,,,,,,,,,,,,,,
DB15891,,GX-19 Vaccine,investigational,32854391,,,,,,,,,,,,,,,
DB15892,,ZYCOV-D,investigational,32854391,,,,,,,,,,,,,,,
DB15893,,CHO Cells Recombinant Vaccine,investigational,32854391,,,,,,,,,,,,,,,
DB15894,,Glycyrrhiza uralensis root,experimental,,,,2266490,,,,,,,,,,,,
DB15895,,XAV-19,investigational,,,,,,,,,,,,,,,,
DB15897,2423948-94-9,Etesevimab,investigational,,,,2477854,,,,,,,,,,,,
DB15898,2135632-29-8,Atoltivimab,approved,"['30333617', '29860496', '32080199']",,,2461338,,,,,,,,,,,,
DB15899,2135632-36-7,Maftivimab,approved,"['30333617', '29860496', '32080199']",,,2461339,,,,,,,,,,,,
DB15900,2135632-30-1,Odesivimab,approved,"['30333617', '29860496', '32080199']",,,2461340,,,,,,,,,,,,
DB15901,3228-02-2,o-Cymen-5-ol,experimental,,,,1364387,,,,ZINC000001691011,,,,34429,18597,CC(C)C1=CC=C(O)C=C1C,"InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3",IJALWSVNUBBQRA-UHFFFAOYSA-N
DB15902,36981-91-6,Fepradinol,experimental,,,,,,,1168,,CHEMBL2106269,,,134878,68819,CC(C)(CO)NCC(O)C1=CC=CC=C1,"InChI=1S/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3",PVOOBRUZWPQOER-UHFFFAOYSA-N
DB15903,302-22-7,Chlormadinone acetate,experimental,,,,2369,,,600,ZINC000003876041,CHEMBL110691,,LUTORAL,31394,9324,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)CC[C@]12C,"InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1",QMBJSIBWORFWQT-DFXBJWIESA-N
DB15904,,Alnus glutinosa,experimental,,,,1441543,,,,,,,,,,,,
DB15905,500-22-1,Nicotinaldehyde,experimental,,,,,,,,ZINC000000158588,CHEMBL268493,50026863,,28345,10371,[H]C(=O)C1=CN=CC=C1,InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H,QJZUKDFHGGYHMC-UHFFFAOYSA-N
DB15906,74-86-2,Acetylene,"['experimental', 'approved']",,,,200,,C2H,,,CHEMBL116336,,,27518,6326,C#C,InChI=1S/C2H2/c1-2/h1-2H,HSFWRNGVRCDJHI-UHFFFAOYSA-N
DB15907,6805-41-0,Escin,experimental,,,,4065,,,,,,,,,6433489,[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(OC3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)[C@@H](OC(=O)C(\C)=C/C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@@]54C)[C@@]3(C)CO)O[C@@H]2C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(OC3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@@]54C)[C@@]3(C)CO)O[C@@H]2C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,"InChI=1S/2C55H86O24/c2*1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h2*10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+;23-10-/t2*26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,47+,48+,49-,51+,52-,53-,54-,55+/m11/s1",YFESOSRPNPYODN-RSMWSHJLSA-N
DB15908,66813-51-2,Alexitol sodium,experimental,,,,236340,,,,,,,,,91663271,[OH-].[Na+].[Al+3].[O-]C([O-])=O.OCC(O)C(O)C(O)C(O)CO,"InChI=1S/C6H14O6.CH2O3.Al.Na.H2O/c7-1-3(9)5(11)6(12)4(10)2-8;2-1(3)4;;;/h3-12H,1-2H2;(H2,2,3,4);;;1H2/q;;+3;+1;/p-3",KFVBMBOOLFSJHV-UHFFFAOYSA-K
DB15909,7488-99-5,alpha-Carotene,experimental,,,,,,,,ZINC000008219947,,,,35147,6419725,C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1",ANVAOWXLWRTKGA-NTXLUARGSA-N
DB15910,1344-00-9,Sodium aluminosilicate,experimental,,,,1427203,,,,,,,,,,,,
DB15911,51579-82-9,Amfenac,experimental,,,,,PA166049186,,,ZINC000000000909,CHEMBL25146,50225110,,75915,2136,NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=CC=C1,"InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)",SOYCMDCMZDHQFP-UHFFFAOYSA-N
DB15912,7778-54-3,Calcium hypochlorite,experimental,,,,,,,,,CHEMBL2251447,,,31342,24504,[Ca++].[O-]Cl.[O-]Cl,InChI=1S/Ca.2ClO/c;2*1-2/q+2;2*-1,ZKQDCIXGCQPQNV-UHFFFAOYSA-N
DB15914,472-70-8,Cryptoxanthin,experimental,,,,,,RRX,,ZINC000004097702,,,,10362,5281235,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,"InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1",DMASLKHVQRHNES-FKKUPVFPSA-N
DB15915,76-29-9,Camphor monobromide,experimental,,,,,,,,ZINC000000507383,CHEMBL2106181,,CAMPHOR MONOBROMIDE,,512864,CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br,"InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1",NJQADTYRAYFBJN-FWWHASMVSA-N
DB15916,4180-23-8,Anethole,"['experimental', 'approved']",,,,17881,,,,ZINC000000967630,CHEMBL452630,,ANETHOLE,35616,637563,COC1=CC=C(\C=C\C)C=C1,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",RUVINXPYWBROJD-ONEGZZNKSA-N
DB15917,79-92-5,Camphene,experimental,,,,2395761,,,,,CHEMBL2268550,,,3830,6616,CC1(C)C2CCC(C2)C1=C,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",CRPUJAZIXJMDBK-UHFFFAOYSA-N
DB15918,1195-79-5,Fenchone,experimental,,,,,,,,ZINC000000967570,,,,36612,82229,CC1(C)[C@H]2CC[C@](C)(C2)C1=O,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1",LHXDLQBQYFFVNW-OIBJUYFYSA-N
DB15919,59985-21-6,Diquafosol,experimental,,,,,,,4900,ZINC000008551963,CHEMBL221326,50205413,DE-089,27791,148197,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O,"InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1",NMLMACJWHPHKGR-NCOIDOBVSA-N
DB15920,89-80-5,Menthone,experimental,,,,,,,,,CHEMBL1719455,,,36503,6986,CC(C)C1CCC(C)CC1=O,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",NFLGAXVYCFJBMK-UHFFFAOYSA-N
DB15921,43119-47-7,Tocopheryl nicotinate,experimental,,,,1359091,,,2689,ZINC000004654831,CHEMBL1084541,50318914,,32239,27990,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)C1=CC=CN=C1)=C2C,"InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1",MSCCTZZBYHQMQJ-AZAGJHQNSA-N
DB15922,8008-98-8,Cajuput oil,experimental,,,,1309211,,,,,,,,,,,,
DB15923,7758-05-6,Potassium iodate,experimental,,,,34312,,,,,,,,,23665710,[K+].[O-][I](=O)=O,"InChI=1S/HIO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",JLKDVMWYMMLWTI-UHFFFAOYSA-M
DB15924,1313-27-5,Molybdenum trioxide,experimental,,,,,,,,,,,,30627,14802,O=[Mo](=O)=O,InChI=1S/Mo.3O,JKQOBWVOAYFWKG-UHFFFAOYSA-N
DB15925,1066-33-7,Ammonium bicarbonate,experimental,,,,,,,,,,,,184335,61507,[NH4+].OC([O-])=O,"InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3",ATRRKUHOCOJYRX-UHFFFAOYSA-N
DB15926,506-87-6,Ammonium carbonate,"['experimental', 'approved']",,,,1310190,,,,,CHEMBL2105849,,,,517111,[NH4+].[NH4+].[O-]C([O-])=O,"InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3",PRKQVKDSMLBJBJ-UHFFFAOYSA-N
DB15927,628-63-7,Amyl acetate,experimental,,,,1370452,,,,ZINC000001586314,CHEMBL47769,,,87362,12348,CCCCCOC(C)=O,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",PGMYKACGEOXYJE-UHFFFAOYSA-N
DB15928,9000-04-8,Asafoetida,experimental,,,,319779,,,,,,,,,,,,
DB15929,1304-76-3,Bismuth oxide,experimental,,,,19472,,,,,,,,,73557522,O=[Bi]O[Bi]=O,InChI=1S/2Bi.3O,WMWLMWRWZQELOS-UHFFFAOYSA-N
DB15930,63-25-2,Carbaryl,experimental,,,,9724,,,3066,ZINC000000001090,CHEMBL46917,50128572,,3390,6129,CNC(=O)OC1=C2C=CC=CC2=CC=C1,"InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)",CVXBEEMKQHEXEN-UHFFFAOYSA-N
DB15931,529-05-5,Chamazulene,experimental,,,,,,,,ZINC000000968466,CHEMBL495665,,,3573,10719,CCC1=CC2=C(C)C=CC2=C(C)C=C1,"InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3",GXGJIOMUZAGVEH-UHFFFAOYSA-N
DB15932,442-52-4,Clemizole,investigational,,,,,,GX0,672,ZINC000000057260,CHEMBL1407943,85747,CLEMIZOLE,52140,2782,ClC1=CC=C(CN2C(CN3CCCC3)=NC3=CC=CC=C23)C=C1,"InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2",CJXAEXPPLWQRFR-UHFFFAOYSA-N
DB15933,130-16-5,Cloxyquin,experimental,,,,,,HZQ,3114,ZINC000000001209,CHEMBL225164,76305,,134818,2817,OC1=CC=C(Cl)C2=CC=CN=C12,"InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H",CTQMJYWDVABFRZ-UHFFFAOYSA-N
DB15934,1301-70-8,Ferric glycerophosphate,"['experimental', 'approved']",,,,,,,,,,,,,14765,[Fe++].[Fe++].OCC(O)COP([O-])([O-])=O.OCCC(CCO)OP([O-])([O-])=O,"InChI=1S/C5H13O6P.C3H9O6P.2Fe/c6-3-1-5(2-4-7)11-12(8,9)10;4-1-3(5)2-9-10(6,7)8;;/h5-7H,1-4H2,(H2,8,9,10);3-5H,1-2H2,(H2,6,7,8);;/q;;2*+2/p-4",CBEYZWBXIPZYNH-UHFFFAOYSA-J
DB15935,1834610-13-7,Lumasiran,"['approved', 'investigational']","['32207686', '30430197']",,,2467140,,,,,,,,,,,,
DB15936,,Influenza virus type A (H1N1),approved,,,,1657128,,,,,,,,,,,,
DB15937,,Influenza virus type A (H3N2),approved,,,,1657131,,,,,,,,,,,,
DB15938,,Influenza virus type B (Victoria),approved,,,,,,,,,,,,,,,,
DB15939,,Influenza virus type B (Yamagata),approved,,,,,,,,,,,,,,,,
DB15940,2415933-40-1,Imdevimab,"['experimental', 'approved']","['32540904', '32540901', '32807860', '32203189']",,,2465249,,,,,,,,,,,,
DB15941,2415933-42-3,Casirivimab,"['experimental', 'approved']","['32540901', '32807860']",,,2465242,,,,,,,,,,,,
DB15942,15599-36-7,Haletazole,experimental,,,,,,,3456,ZINC000000537813,CHEMBL1397608,,,135524,17457,CCN(CC)CCOC1=CC=C(C=C1)C1=NC2=CC(Cl)=CC=C2S1,"InChI=1S/C19H21ClN2OS/c1-3-22(4-2)11-12-23-16-8-5-14(6-9-16)19-21-17-13-15(20)7-10-18(17)24-19/h5-10,13H,3-4,11-12H2,1-2H3",TXOKWXJQVFUUDD-UHFFFAOYSA-N
DB15943,24292-52-2,Hesperidin methylchalcone,experimental,,,,72086,,,,ZINC000006920436,,,,,6436550,COC1=CC=C(\C=C\C(=O)C2=C(OC)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O)C=C1O,"InChI=1S/C29H36O15/c1-12-22(33)24(35)26(37)28(42-12)41-11-20-23(34)25(36)27(38)29(44-20)43-14-9-17(32)21(19(10-14)40-3)15(30)6-4-13-5-7-18(39-2)16(31)8-13/h4-10,12,20,22-29,31-38H,11H2,1-3H3/b6-4+/t12-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1",FDHNLHLOJLLXDH-JIYHLSBYSA-N
DB15944,130-36-9,Menadione bisulfite,experimental,,,,,,,,,CHEMBL1159684,,MENADIONE SODIUM BISULFITE,63930,8536,CC1(CC(=O)C2=C(C=CC=C2)C1=O)S(O)(=O)=O,"InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)",WIXFIQKTHUVFDI-UHFFFAOYSA-N
DB15945,1043-21-6,Pirenoxine,experimental,,,,228080,,,3476,ZINC000011616009,CHEMBL1372341,,,32013,4846,OC(=O)C1=NC2=C(C(O)=C1)C1=NC3=CC=CC=C3OC1=CC2=O,"InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)",OKPNYGAWTYOBFZ-UHFFFAOYSA-N
DB15946,50650-76-5,Piroctone,experimental,,,,2058907,,,3479,,CHEMBL1473700,,,59009,50259,CC(CC1=CC(C)=CC(=O)N1O)CC(C)(C)C,"InChI=1S/C14H23NO2/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5/h6,8,11,17H,7,9H2,1-5H3",OIQJEQLSYJSNDS-UHFFFAOYSA-N
DB15947,54063-52-4,Pitofenone,experimental,,A03DA02,,,,,2215,ZINC000000538207,CHEMBL2104821,,PITOFENONE,135547,121098,COC(=O)C1=CC=CC=C1C(=O)C1=CC=C(OCCN2CCCCC2)C=C1,"InChI=1S/C22H25NO4/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3",NZHMAQSCHUSSSJ-UHFFFAOYSA-N
DB15948,1319-69-3,Potassium glycerophosphate,experimental,,,,,,,,,CHEMBL3186049,,,,80278,[K+].[K+].OCC(O)COP([O-])([O-])=O,"InChI=1S/C3H9O6P.2K/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2",CHFUHGDBYUITQJ-UHFFFAOYSA-L
DB15949,483-04-5,Raubasine,experimental,,,,17205,,AJN,,ZINC000053147422,CHEMBL123325,50030612,,2524,441975,[H][C@]12CN3CCC4=C(NC5=CC=CC=C45)[C@]3([H])C[C@]1([H])C(=CO[C@H]2C)C(=O)OC,"InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1",GRTOGORTSDXSFK-XJTZBENFSA-N
DB15950,21791-94-6,Sodium camphorsulfonate,"['experimental', 'approved']",,,,,,,,,,,,,23692755,[Na+].[H][C@]12CC[C@@](CS([O-])(=O)=O)(C(=O)C1)C2(C)C,"InChI=1S/C10H16O4S.Na/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1/t7-,10-;/m1./s1",AWMAOFAHBPCBHJ-YZUKSGEXSA-M
DB15951,3863-80-7,Azapentacene,experimental,,,,,,,,,,,,,,[Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC3=CC4=NC5=CC(=CC=C5NC4=CC3=NC2=C1)S([O-])(=O)=O,"InChI=1S/C18H12N4O6S2.2Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;;/h1-8,19-20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2",XLNKBYYWZULHIR-UHFFFAOYSA-L
DB15952,7631-99-4,Sodium nitrate,experimental,,,,36700,,,,,CHEMBL1644698,50098588,SODIUM NITRATE,63005,517680,[Na+].[O-][N+]([O-])=O,InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1,VWDWKYIASSYTQR-UHFFFAOYSA-N
DB15953,112-92-5,Stearyl alcohol,experimental,,,,37071,,,,ZINC000008214679,CHEMBL24640,,CETOSTEARYL ALCOHOL,32154,8221,CCCCCCCCCCCCCCCCCCO,"InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",GLDOVTGHNKAZLK-UHFFFAOYSA-N
DB15954,57-24-9,Strychnine,experimental,,,,66422,,SY9,2484,ZINC000000119434,CHEMBL227934,50225707,,28973,441071,[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC=CC=C7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H],"InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1",QMGVPVSNSZLJIA-FVWCLLPLSA-N
DB15955,6809-52-5,Teprenone,experimental,"['9920212', '8626046']",,,1362746,,,2596,ZINC000001915509,CHEMBL79686,,,,5282199,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O,"InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+",HUCXKZBETONXFO-NJFMWZAGSA-N
DB15956,8000-41-7,Terpineol,experimental,,,,1368180,,,,,CHEMBL449810,,,22469,17100,CC1=CCC(CC1)C(C)(C)O,"InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",WUOACPNHFRMFPN-UHFFFAOYSA-N
DB15957,8007-35-0,Terpinyl acetate,experimental,,,,1312739,,,,,CHEMBL3183581,,,32320,111037,CC(=O)OC(C)(C)C1CCC(C)=CC1,"InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3",IGODOXYLBBXFDW-UHFFFAOYSA-N
DB15958,67-16-3,Thiamine disulfide,experimental,,,,38041,,,,ZINC000003873942,CHEMBL416503,,,,3038097,C\C(N(CC1=C(N)N=C(C)N=C1)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(CC1=C(N)N=C(C)N=C1)C=O,"InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15-,22-16-",GFEGEDUIIYDMOX-BMJUYKDLSA-N
DB15959,73803-48-2,Tripamide,experimental,,,,,,,2760,,CHEMBL4303526,,,32264,5282210,[H][C@@]12CN(C[C@]1([H])[C@@H]1CC[C@H]2C1)NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O,"InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10+,12-,13+",UHLOVGKIEARANS-NIFPGPBJSA-N
DB15960,2782-57-2,Troclosene,experimental,,,,1537576,,,,ZINC000004217607,CHEMBL2111065,,TROCLOSENE,,16726,ClN1C(=O)NC(=O)N(Cl)C1=O,"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)",CEJLBZWIKQJOAT-UHFFFAOYSA-N
DB15961,10139-47-6,Zinc iodide,experimental,,,,1921759,,,,,,,,,9883512,I[Zn]I,InChI=1S/2HI.Zn/h2*1H;/q;;+2/p-2,UAYWVJHJZHQCIE-UHFFFAOYSA-L
DB15962,7789-75-5,Calcium fluoride,experimental,,,,1905,,,,,,,,35437,24617,F[Ca]F,InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2,WUKWITHWXAAZEY-UHFFFAOYSA-L
DB15963,940-69-2,Thioctamide,experimental,,,,1597391,,,,,CHEMBL1403899,16435,,17460,863,NC(=O)CCCCC1CCSS1,"InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)",FCCDDURTIIUXBY-UHFFFAOYSA-N
DB15964,304448-55-3,Dynasore,experimental,,,,,,,,ZINC000000096084,CHEMBL1209885,50323460,,132754,135533054,OC1=CC=C(\C=N\NC(=O)C2=CC3=C(C=CC=C3)C=C2O)C=C1O,"InChI=1S/C18H14N2O4/c21-15-6-5-11(7-17(15)23)10-19-20-18(24)14-8-12-3-1-2-4-13(12)9-16(14)22/h1-10,21-23H,(H,20,24)/b19-10+",SYNDQCRDGGCQRZ-VXLYETTFSA-N
DB15965,1879925-92-4,Naxitamab,approved,"['29147617', '30326045', '23702928', '32052309', '25851904']",,,2474039,,,,,,,,,,,,
DB15966,,Influenza virus type B,approved,,,,1657134,,,,,,,,,,,,
DB15967,74-61-3,"2,3-Dimercapto-1-propanesulfonic acid",experimental,,,,1546352,,,,,CHEMBL1624767,50420189,"2,3-DIMERCAPTO-1-PROPANESULFONIC ACID",888,6321,OS(=O)(=O)CC(S)CS,"InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)",JLVSRWOIZZXQAD-UHFFFAOYSA-N
DB15968,107080-63-7,Butropium,experimental,,,,,,,,ZINC000100519375,,,,145697,,CCCCOC1=CC=C(C[N+]2(C)[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)[C@H](CO)C2=CC=CC=C2)C=C1,"InChI=1S/C28H38NO4/c1-3-4-16-32-25-14-10-21(11-15-25)19-29(2)23-12-13-24(29)18-26(17-23)33-28(31)27(20-30)22-8-6-5-7-9-22/h5-11,14-15,23-24,26-27,30H,3-4,12-13,16-20H2,1-2H3/q+1/t23-,24+,26+,27-,29?/m1/s1",ALVDDLOWVXJXCD-OTSXCXJCSA-N
DB15969,70063-04-6,Carbazochrome sulfonic acid,experimental,,,,,,,,,CHEMBL1697827,,CARBAZOCHROME SODIUM SULFONATE,,,CN1C(CC2=C\C(=N\NC(N)=O)C(=O)C=C12)S(O)(=O)=O,"InChI=1S/C10H12N4O5S/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19)/b12-6-",OZCACMPSTYQSMM-SDQBBNPISA-N
DB15970,52080-57-6,Chloroprednisone,experimental,,S01CA09,,,,,3093,ZINC000033650036,,,,135618,3034026,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@H](Cl)C2=CC(=O)C=C[C@]12C,"InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15,18,23,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,18+,19-,20-,21-/m0/s1",NPSLCOWKFFNQKK-ZPSUVKRCSA-N
DB15971,13448-22-1,Clorotepine,experimental,,,,,,,3912,,CHEMBL64249,22872,,135459,1238,CN1CCN(CC1)C1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2,"InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3",XRYLGRGAWQSVQW-UHFFFAOYSA-N
DB15972,64-85-7,Desoxycortone,experimental,,H02AA03,,3256,,,820,,,,,,,,,
DB15973,75018-71-2,Tauroselcholic acid,experimental,,,,,,,,,CHEMBL3707263,,SEHCAT,,3086012,[H]O[C@@H]1CC[C@@]2(C)[C@@]([H])(C1)C[C@@H](O[H])[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)C[Se]CC(=O)N([H])CCS(=O)(=O)O[H])[C@@]3(C)[C@@H](O[H])C[C@]21[H],"InChI=1S/C26H45NO7SSe/c1-15(13-36-14-23(31)27-8-9-35(32,33)34)18-4-5-19-24-20(12-22(30)26(18,19)3)25(2)7-6-17(28)10-16(25)11-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1",JCMLWGQJPSGGEI-HZAMXZRMSA-N
DB15974,15283-45-1,Gold sodium thiosulfate,experimental,,,,9876,,,,,,,,,,[Na+].[Na+].[Na+].O=S1(=O)O[Au]2(OS(=O)(=O)S2)S1,"InChI=1S/Au.3Na.2H2O3S2/c;;;;2*1-5(2,3)4/h;;;;2*(H2,1,2,3,4)/q+4;3*+1;;/p-4",OVUZJYJOLVHTIZ-UHFFFAOYSA-J
DB15975,32909-92-5,Sulfametrole,experimental,,J01EE03,,37328,,,2518,ZINC000000002099,CHEMBL2105398,,,88258,64939,COC1=NSN=C1NS(=O)(=O)C1=CC=C(N)C=C1,"InChI=1S/C9H10N4O3S2/c1-16-9-8(11-17-12-9)13-18(14,15)7-4-2-6(10)3-5-7/h2-5H,10H2,1H3,(H,11,13)",IZOYMGQQVNAMHS-UHFFFAOYSA-N
DB15976,53808-87-0,Tetroxoprim,experimental,,J01EE06,,37999,,,2615,ZINC000002020087,CHEMBL32039,50029760,,135420,65450,COCCOC1=C(OC)C=C(CC2=C(N)N=C(N)N=C2)C=C1OC,"InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)",WSWJIZXMAUYHOE-UHFFFAOYSA-N
DB15977,80-57-9,Verbenone,experimental,,,,,,,,ZINC000000967600,CHEMBL1409937,,,9955,65724,CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C,"InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1",DCSCXTJOXBUFGB-SFYZADRCSA-N
DB15978,84-08-2,Parathiazine,experimental,,,,,,,2327,ZINC000000002004,CHEMBL1887666,81472,,135253,10646,C(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N1CCCC1,"InChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2",KJKJUXGEMYCCJN-UHFFFAOYSA-N
DB15979,848-53-3,Homochlorcyclizine,experimental,,,,,,,1381,,CHEMBL1515447,77969,,91588,3627,CN1CCCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,"InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3",WEUCDJCFJHYFRL-UHFFFAOYSA-N
DB15980,20064-19-1,Levocarnitine propionate,experimental,,,,,,,4040,,CHEMBL3392074,,,53210,188824,CCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,"InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1",UFAHZIUFPNSHSL-MRVPVSSYSA-N
DB15981,40922-77-8,Josamycin propionate,experimental,,,,28069,,,,ZINC000169320743,CHEMBL3251862,,,,23724981,[H][C@@]1(O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)CC)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]2OC)O[C@H](C)[C@@]([H])(O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C,"InChI=1S/C45H73NO16/c1-13-34(49)59-32-18-16-14-15-17-27(5)55-36(51)23-33(58-30(8)48)42(54-12)41(31(19-20-47)22-26(32)4)62-44-39(52)38(46(10)11)40(28(6)57-44)61-37-24-45(9,53)43(29(7)56-37)60-35(50)21-25(2)3/h14-16,18,20,25-29,31-33,37-44,52-53H,13,17,19,21-24H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1",NVBREHSOJSEKBQ-ZQMZUEOGSA-N
DB15982,1809010-50-1,Berotralstat,approved,"['31635497', '29423395', '30044938']",,,2467540,,0RI,5430,,,,,,137528262,NCC1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1F)[C@H](NCC1CC1)C1=CC=CC(=C1)C#N)C(F)(F)F,"InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1",UXNXMBYCBRBRFD-MUUNZHRXSA-N
DB15983,579-94-2,Menglytate,experimental,,,,,,,,ZINC000004213769,CHEMBL3989469,,,,68932,CCOCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,"InChI=1S/C14H26O3/c1-5-16-9-14(15)17-13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3/t11-,12+,13-/m1/s1",DXGZIMYAPNIRHS-FRRDWIJNSA-N
DB15984,855-19-6,Clostebol acetate,experimental,,,,236522,,,716,ZINC000003881980,CHEMBL519327,,,81712,13327,[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)CC[C@]12C,"InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1",XYGMEFJSKQEBTO-KUJXMBTLSA-N
DB15985,924-49-2,Gamma-amino-beta-hydroxybutyric acid,experimental,,,,,,,1263,,CHEMBL93515,,,16080,14625150,NCC(O)CC(O)=O,"InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)",YQGDEPYYFWUPGO-UHFFFAOYSA-N
DB15986,8007-80-5,Cinnamon oil,"['experimental', 'approved']",,,,1309229,,,,,,,,,,,,
DB15987,606-90-6,Piprinhydrinate,experimental,,,,,,,,,,,,,71640,CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O.CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C19H23NO.C7H7ClN4O2/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-11,18-19H,12-15H2,1H3;1-2H3,(H,9,10)",JSNIFGPPGAINSG-UHFFFAOYSA-N
DB15988,1082659-36-6,Ephedrine levulinate,experimental,,,,,,,,,,,,,,CN[C@@H](C)[C@H](OC(=O)CCC(C)=O)C1=CC=CC=C1,"InChI=1S/C15H21NO3/c1-11(17)9-10-14(18)19-15(12(2)16-3)13-7-5-4-6-8-13/h4-8,12,15-16H,9-10H2,1-3H3/t12-,15-/m0/s1",SDERVCYTJVOPPI-WFASDCNBSA-N
DB15989,8000-78-0,Garlic oil,experimental,,,,1309210,,,,,,,,,,,,
DB15990,13115-71-4,Glycylglutamine,experimental,,,,,,,,ZINC000002555108,CHEMBL330038,50407463,,74392,7018836,NCC(=O)N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1",PNMUAGGSDZXTHX-BYPYZUCNSA-N
DB15991,658-79-7,Glycyltyrosine,experimental,,,,,,,,ZINC000001730678,CHEMBL53400,50188508,,73517,6994980,NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1",XBGGUPMXALFZOT-VIFPVBQESA-N
DB15992,7134-11-4,Sulfogaiacol,experimental,,,,,,,,ZINC000002510314,CHEMBL2110990,,,85537,4874,COC1=C(O)C=CC(=C1)S(O)(=O)=O,"InChI=1S/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11)",QDRCGSIKAHSALR-UHFFFAOYSA-N
DB15993,7675-83-4,Arginine aspartate,experimental,,,,18254,,,,,,,,,11500504,N[C@@H](CC(O)=O)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O2.C4H7NO4/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1",SUUWYOYAXFUOLX-ZBRNBAAYSA-N
DB15994,74-82-8,Methane,experimental,,,,,,74C,,,CHEMBL17564,,,16183,297,C,InChI=1S/CH4/h1H4,VNWKTOKETHGBQD-UHFFFAOYSA-N
DB15995,7697-37-2,Nitric acid,experimental,,,,1311391,,,,,CHEMBL1352,50152970,NITRIC ACID,48107,944,O[N+]([O-])=O,"InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)",GRYLNZFGIOXLOG-UHFFFAOYSA-N
DB15996,8008-45-5,Nutmeg oil,experimental,,,,1309209,,,,,,,,,,,,
DB15997,307-34-6,Perfluorooctane,experimental,,,,,,,,ZINC000064624382,,,,38826,9387,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,"InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26",YVBBRRALBYAZBM-UHFFFAOYSA-N
DB15998,923-09-1,Potassium hydrogen DL-aspartate,experimental,,,,,,,,,,,,,23672741,[K+].NC(CC([O-])=O)C(O)=O,"InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1",TXXVQZSTAVIHFD-UHFFFAOYSA-M
DB15999,69164-69-8,Prednisolone caproate,experimental,,,,,,,,,,,,,155202,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,"InChI=1S/C27H38O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h10,12,14,19-21,24,29,32H,4-9,11,13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1",DNSAKUGJOSFARZ-FOMYWIRZSA-N
DB16000,25395-22-6,Salicylamide O-acetic acid,experimental,,,,,,,3538,ZINC000000051262,CHEMBL1700554,,,134850,93086,NC(=O)C1=C(OCC(O)=O)C=CC=C1,"InChI=1S/C9H9NO4/c10-9(13)6-3-1-2-4-7(6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)",RLISWLLILOTWGG-UHFFFAOYSA-N
DB16001,5721-91-5,Testosterone decanoate,experimental,,,,37858,,,,ZINC000019685816,CHEMBL1473654,,,35000,155143,[H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1",LBERVHLCXUMDOT-MPZZESAYSA-N
DB16002,15262-86-9,Testosterone isocaproate,experimental,,,,75806,,,,ZINC000004538407,CHEMBL3189011,50103618,,35001,231084,[H][C@@]12CC[C@H](OC(=O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1",PPYHLSBUTAPNGT-BKWLFHPQSA-N
DB16003,1255-49-8,Testosterone phenylpropionate,experimental,,,,37855,,,,ZINC000003881605,CHEMBL2356993,,,35002,14743,[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,"InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1",HHSXYDOROIURIP-FEZCWRLCSA-N
DB16004,51395-42-7,Butedronic acid,experimental,,,,1370573,,,3052,,CHEMBL2106599,,,135216,189891,OC(=O)CC(C(P(O)(O)=O)P(O)(O)=O)C(O)=O,"InChI=1S/C5H10O10P2/c6-3(7)1-2(4(8)9)5(16(10,11)12)17(13,14)15/h2,5H,1H2,(H,6,7)(H,8,9)(H2,10,11,12)(H2,13,14,15)",LDTZSTJLVYBEKB-UHFFFAOYSA-N
DB16005,102-76-1,Triacetin,experimental,,,,10756,,,3624,ZINC000001530705,CHEMBL1489254,,TRIACETIN,9661,5541,CC(=O)OCC(COC(C)=O)OC(C)=O,"InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3",URAYPUMNDPQOKB-UHFFFAOYSA-N
DB16006,15281-32-0,Zinc DL-aspartate,experimental,,,,,,,,,,,,,53442777,[Zn++].[NH3+]C(CC([O-])=O)C([O-])=O.[NH3+]C(CC([O-])=O)C([O-])=O,"InChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2",POEVDIARYKIEGF-UHFFFAOYSA-L
DB16007,1417412-83-9,Rurioctocog alfa pegol,"['experimental', 'approved']",,,,,,,,,,,,,,,,
DB16008,130636-43-0,Nifekalant,investigational,,,,,,,1923,ZINC000000538083,CHEMBL360861,50151866,NIFEKALANT HYDROCHLORIDE,94575,4486,CN1C(=O)C=C(NCCN(CCO)CCCC2=CC=C(C=C2)[N+]([O-])=O)N(C)C1=O,"InChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3",OEBPANQZQGQPHF-UHFFFAOYSA-N
DB16009,1192189-69-7,LX-7101,investigational,,,,,,,,ZINC000142095785,CHEMBL3356433,50044004,LX-7101,,56962369,CN(C)C(=O)OC1=CC(NC(=O)C2(CN)CCN(CC2)C2=C3C(C)=CNC3=NC=N2)=CC=C1,"InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)",PWPNYABQEOGNNC-UHFFFAOYSA-N
DB16010,257277-05-7,Iseganan,investigational,,,,,,,,,,,,,,,,
DB16011,230313-75-4,Levophencynonate,investigational,,,,,,,,ZINC000021984626,,,,,29921324,[H][C@]12CCC[C@]([H])(CN(C)C1)C2OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1,"InChI=1S/C22H31NO3/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3/t16-,17+,20?,22-/m0/s1",ROZOEEGFKDFEFP-JLPZCGHASA-N
DB16012,401925-43-7,Celivarone,investigational,,,,,,,,ZINC000003816429,CHEMBL3707403,,CELIVARONE,,9807128,CCCCN(CCCC)CCCC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(C=C2)C(=O)OC(C)C,"InChI=1S/C34H47NO4/c1-6-9-14-31-32(29-24-28(19-20-30(29)39-31)34(37)38-25(4)5)33(36)27-17-15-26(16-18-27)13-12-23-35(21-10-7-2)22-11-8-3/h15-20,24-25H,6-14,21-23H2,1-5H3",ZCENNVQCOZQSGH-UHFFFAOYSA-N
DB16013,383123-18-0,SER-100,investigational,,,,,,,,,CHEMBL4297428,,SER100,,25086585,CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O,"InChI=1S/C85H141N27O15/c1-52(113)101-61(29-18-46-98-84(94)95)73(117)110-70(49-54-33-37-57(115)38-34-54)82(126)111-69(48-53-31-35-56(114)36-32-53)81(125)109-68(30-19-47-99-85(96)97)80(124)112-71(50-55-51-100-59-21-3-2-20-58(55)59)83(127)108-67(28-10-17-45-92)79(123)107-66(27-9-16-44-91)78(122)106-65(26-8-15-43-90)77(121)105-64(25-7-14-42-89)76(120)104-63(24-6-13-41-88)75(119)103-62(23-5-12-40-87)74(118)102-60(72(93)116)22-4-11-39-86/h2-3,20-21,31-38,51,60-71,100,114-115H,4-19,22-30,39-50,86-92H2,1H3,(H2,93,116)(H,101,113)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,127)(H,109,125)(H,110,117)(H,111,126)(H,112,124)(H4,94,95,98)(H4,96,97,99)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1",GJLXVWOMRRWCIB-MERZOTPQSA-N
DB16014,118159-48-1,Bicyclol,investigational,,,,,,,,ZINC000002012988,CHEMBL482035,,BICYCLOL,,9821754,COC(=O)C1=C(C2=C(OCO2)C(OC)=C1)C1=C(CO)C=C(OC)C2=C1OCO2,"InChI=1S/C19H18O9/c1-22-11-4-9(6-20)13(17-15(11)25-7-27-17)14-10(19(21)24-3)5-12(23-2)16-18(14)28-8-26-16/h4-5,20H,6-8H2,1-3H3",KXMTXZACPVCDMH-UHFFFAOYSA-N
DB16015,403717-06-6,Bisphosphocin Nu-3,investigational,,,,,,,,ZINC000038456904,CHEMBL4297360,,,,10279357,CCCCOP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1OP(O)(=O)OCCCC)N1C=C(C)C(=O)NC1=O,"InChI=1S/C18H32N2O11P2/c1-4-6-8-27-32(23,24)29-12-15-14(31-33(25,26)28-9-7-5-2)10-16(30-15)20-11-13(3)17(21)19-18(20)22/h11,14-16H,4-10,12H2,1-3H3,(H,23,24)(H,25,26)(H,19,21,22)/t14-,15+,16+/m0/s1",ZXQBUNYVGNOEBQ-ARFHVFGLSA-N
DB16016,1464897-15-1,Histamine glutarimide,investigational,31597083,,,,,,,,,,,,24826317,O=C1CCCC(=O)N1CCC1=CN=CN1,"InChI=1S/C10H13N3O2/c14-9-2-1-3-10(15)13(9)5-4-8-6-11-7-12-8/h6-7H,1-5H2,(H,11,12)",DYKZYSKWOHKZMF-UHFFFAOYSA-N
DB16017,2166100-08-7,Inodiftagene vixteplasmid,investigational,,,,,,,,,,,,,,,,
DB16018,1905415-02-2,Timrepigene emparvovec,investigational,,,,,,,,,,,,,,,,
DB16019,1906894-20-9,Gallium Ga-68 gozetotide,approved,"['29786490', '29439481', '30350010', '9815541', '27660139', '28878845']",,,2586016,,,5429,,,,,,91800164,[68Ga+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC(CN(CCN(CC([O-])=O)CC2=C(O)C=CC(CCC([O-])=O)=C2)CC([O-])=O)=C(O)C=C1)C(O)=O)C(O)=O,"InChI=1S/C44H62N6O17.Ga/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58;/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67);/q;+3/p-3/t32-,33-;/m0./s1/i;1-2",AEBYHKKMCWUMKX-LNTZDJBBSA-K
DB16020,1092-46-2,Ketocaine,experimental,,,,,,,,ZINC000000000412,CHEMBL2107306,,,,68946,CCCC(=O)C1=C(OCCN(C(C)C)C(C)C)C=CC=C1,"InChI=1S/C18H29NO2/c1-6-9-17(20)16-10-7-8-11-18(16)21-13-12-19(14(2)3)15(4)5/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3",UXAWFWFJXIANHZ-UHFFFAOYSA-N
DB16021,23672-07-3,Levosulpiride,experimental,,N05AL07,,,,,1577,ZINC000000057008,CHEMBL267044,81774,LEVOSULPIRIDE,64119,688272,CCN1CCC[C@H]1CNC(=O)C1=CC(=CC=C1OC)S(N)(=O)=O,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1",BGRJTUBHPOOWDU-NSHDSACASA-N
DB16022,91-79-2,Thenyldiamine,"['experimental', 'approved']",,,,38025,,,,ZINC000000002149,CHEMBL2107485,,,186232,7066,CN(C)CCN(CC1=CSC=C1)C1=CC=CC=N1,"InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3",RCGYDFVCAAKKNG-UHFFFAOYSA-N
DB16023,532-40-1,Monophosphothiamine,experimental,,,,,,,,,CHEMBL2106811,,,18338,10761,[Cl-].CC1=C(CCOP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H",GUGWNSHJDUEHNJ-UHFFFAOYSA-N
DB16024,3599-32-4,Indocyanine green,"['experimental', 'approved']",,V04CX01,,5775,,,3300,,CHEMBL1646,,,31696,11967809,[Na+].CC1(C)\C(=C/C=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)C3=CC=C4C=CC=CC4=C3C2(C)C)N(CCCCS([O-])(=O)=O)C2=CC=C3C=CC=CC3=C12,"InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1",MOFVSTNWEDAEEK-UHFFFAOYSA-M
DB16025,56265-06-6,Arginine PCA,experimental,,,,1482633,,,,,,,,,90474459,OC(=O)[C@@H]1CCC(=O)N1.N[C@@H](CCCNC(N)=N)C(O)=O,"InChI=1S/C6H14N4O2.C5H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H2,(H,6,7)(H,8,9)/t4-;3-/m00/s1",UYCAGRPOUWSBIQ-WOYAITHZSA-N
DB16026,401519-96-8,NCX-1000,investigational,,,,,,,,,,,,,129628949,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)OC1=CC=C(\C=C\C(=O)OCCCCO[N+]([O-])=O)C=C1OC,"InChI=1S/C38H55NO10/c1-24(28-10-11-29-36-30(16-18-38(28,29)3)37(2)17-15-27(40)22-26(37)23-31(36)41)7-13-35(43)49-32-12-8-25(21-33(32)46-4)9-14-34(42)47-19-5-6-20-48-39(44)45/h8-9,12,14,21,24,26-31,36,40-41H,5-7,10-11,13,15-20,22-23H2,1-4H3/b14-9+/t24-,26+,27-,28-,29+,30+,31+,36+,37+,38-/m1/s1",WTAVOESJEWSDJC-OBOLPPCUSA-N
DB16027,57818-44-7,alpha-Hydroxylinoleic acid,investigational,,,,,,,,,,,,136927,21158511,CCCCC\C=C/C\C=C/CCCCCCC(O)C(O)=O,"InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-",AFDSETGKYZMEEA-HZJYTTRNSA-N
DB16028,1133819-87-0,Azemiglitazone,investigational,,,,,,,,,CHEMBL4291468,50466687,,,25230266,COC1=CC=CC(=C1)C(=O)COC1=CC=C(CC2SC(=O)NC2=O)C=C1,"InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)",YAUMOGALQJYOJQ-UHFFFAOYSA-N
DB16029,1236354-10-1,2-(5-fluoro-pentyl)-2-methyl-malonic-acid,investigational,,,,,,,,,,,,,42624345,CC(CCCCC[18F])(C(O)=O)C(O)=O,"InChI=1S/C9H15FO4/c1-9(7(11)12,8(13)14)5-3-2-4-6-10/h2-6H2,1H3,(H,11,12)(H,13,14)/i10-1",BOYGOAXVKOOCKN-LMANFOLPSA-N
DB16030,1956378-23-6,VLX1570,investigational,,,,,,,,ZINC000207260782,CHEMBL4441423,,,,71523377,[O-][N+](=O)C1=CC(\C=C2/CN(CC\C(=C/C3=CC(=C(F)C=C3)[N+]([O-])=O)C2=O)C(=O)C=C)=CC=C1F,"InChI=1S/C23H17F2N3O6/c1-2-22(29)26-8-7-16(9-14-3-5-18(24)20(11-14)27(31)32)23(30)17(13-26)10-15-4-6-19(25)21(12-15)28(33)34/h2-6,9-12H,1,7-8,13H2/b16-9+,17-10+",SCKXBVLYWLLALY-CZCYGEDCSA-N
DB16031,14291-24-8,TRO40303,investigational,,,,,,,,,CHEMBL4297500,,TRO 40303,,117902620,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC\C(=N/O)[C@](C)(CCCO)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C26H47NO2/c1-18(2)8-6-9-19(3)21-11-12-22-20-10-13-24(27-29)26(5,15-7-17-28)23(20)14-16-25(21,22)4/h18-23,28-29H,6-17H2,1-5H3/b27-24+/t19-,20+,21-,22+,23+,25-,26-/m1/s1",OBKBVSFXEIFOMS-YVABUZGXSA-N
DB16032,280571-30-4,GW810781,investigational,,,,,,,,ZINC000100406242,CHEMBL218227,50476348,S 1360,,6451047,O\C(=C/C(=O)C1=CC=C(CC2=CC=C(F)C=C2)O1)C1=NNC=N1,"InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-",HFHDGHOGHWXXDT-ZSOIEALJSA-N
DB16033,1419609-94-1,GSK2798745,investigational,,,,,,,,,CHEMBL4470585,50502640,,,71227359,CC(C)(O)C1=NC=C(N=C1)N1C[C@@]2(CCC[C@](C)(CN3C=NC4=C3C=C(C=C4)C#N)C2)OC1=O,"InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1",URCMKDJBULWNAI-DQEYMECFSA-N
DB16034,1353949-71-9,JBPOS0101,investigational,,,,,,,,,CHEMBL4594413,,JBPOS0101,,57524523,C[C@H](OC(N)=O)[C@@H](O)C1=CC=CC=C1Cl,"InChI=1S/C10H12ClNO3/c1-6(15-10(12)14)9(13)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)/t6-,9+/m0/s1",TZOWVYPYWJLZTK-IMTBSYHQSA-N
DB16035,890128-81-1,BFH772,investigational,,,,,,,,ZINC000114976148,CHEMBL4080062,50270425,BFH-772,,24756034,OCC1=CC(OC2=CC3=CC=CC(C(=O)NC4=CC=CC(=C4)C(F)(F)F)=C3C=C2)=NC=N1,"InChI=1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31)",JNLSTLQFDDAULK-UHFFFAOYSA-N
DB16036,1446817-84-0,ABX-1431,investigational,,,,,,,,,CHEMBL3945728,180052,ABX1431,,71657619,FC(F)(F)C(OC(=O)N1CCN(CC2=CC=C(C=C2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F,"InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2",SQZJGTOZFRNWCX-UHFFFAOYSA-N
DB16037,866086-05-7,BI 44370 TA,investigational,,,,,,,,ZINC000117997024,CHEMBL3334624,50047356,BI-44370-BS,,23654987,CC1=CC(C[C@@H](OC(=O)N2CCC(CC2)N2CCC3=C(NC2=O)C=CC=C3)C(=O)N2CCC(CC2)N2CCOCC2)=CC(C)=C1O,"InChI=1S/C35H47N5O6/c1-24-21-26(22-25(2)32(24)41)23-31(33(42)38-12-8-28(9-13-38)37-17-19-45-20-18-37)46-35(44)39-14-10-29(11-15-39)40-16-7-27-5-3-4-6-30(27)36-34(40)43/h3-6,21-22,28-29,31,41H,7-20,23H2,1-2H3,(H,36,43)/t31-/m1/s1",HTLWMOKBJQKDIJ-WJOKGBTCSA-N
DB16038,1393466-87-9,PLX8394,investigational,,,,,,,,ZINC000144705377,CHEMBL4303729,,PLX 8394,,90116675,F[C@@H]1CCN(C1)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=C(N=C2)C2CC2)=C1F,"InChI=1S/C25H21F3N6O3S/c26-16-5-6-34(12-16)38(36,37)33-20-4-3-19(27)21(22(20)28)23(35)18-11-32-25-17(18)7-14(8-31-25)15-9-29-24(30-10-15)13-1-2-13/h3-4,7-11,13,16,33H,1-2,5-6,12H2,(H,31,32)/t16-/m1/s1",YYACLQUDUDXAPA-MRXNPFEDSA-N
DB16039,906673-33-4,AN2898,investigational,,,,,,3OJ,,,CHEMBL4467344,50532266,,,24806574,OB1OCC2=C1C=CC(OC1=CC(C#N)=C(C=C1)C#N)=C2,"InChI=1S/C15H9BN2O3/c17-7-10-1-2-13(5-11(10)8-18)21-14-3-4-15-12(6-14)9-20-16(15)19/h1-6,19H,9H2",UBMGTTRDNUKZMT-UHFFFAOYSA-N
DB16040,161611-99-0,DU125530,investigational,,,,,,,,,CHEMBL79261,85079,DU 125530,,9848499,ClC1=CC(N2CCN(CCCCN3C(=O)C4=C(C=CC=C4)S3(=O)=O)CC2)=C2OCCOC2=C1,"InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2",LYXKFNHUJJDTIA-UHFFFAOYSA-N
DB16041,1147883-03-1,EPI-589,investigational,,,,,,,,,,,,,42600375,CC1=C(C)C(=O)C(CC[C@@](C)(O)C(N)=O)=C(C)C1=O,"InChI=1S/C14H19NO4/c1-7-8(2)12(17)10(9(3)11(7)16)5-6-14(4,19)13(15)18/h19H,5-6H2,1-4H3,(H2,15,18)/t14-/m1/s1",BAANPNDZFYBQIB-CQSZACIVSA-N
DB16042,630407-66-8,SB-773812,investigational,,,,,,,,ZINC000034582095,,,,,11467403,COC1=C(C=C2CCN(C)CCC2=C1)S(=O)(=O)C1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1,"InChI=1S/C25H26ClNO4S/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18/h3-10,15-16H,11-14,17H2,1-2H3",HIBWHHQXUSKNOV-UHFFFAOYSA-N
DB16043,2230198-02-2,PF-06882961,investigational,,,,,,UK4,,,CHEMBL4518483,349662,PF-06882961,,134611040,OC(=O)C1=CC=C2N=C(CN3CCC(CC3)C3=NC(OCC4=CC=C(C=C4F)C#N)=CC=C3)N(C[C@@H]3CCO3)C2=C1,"InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1",HYBAKUMPISVZQP-DEOSSOPVSA-N
DB16044,1226793-34-5,PF-05212377,investigational,,,,,,,,ZINC000115662114,CHEMBL3329435,50044615,,,46203710,CC1=NC2=C(C=CC=C2N1S(=O)(=O)C1=CC=CC=C1)N1CCNCC1,"InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3",MAYQIFVKVAUMPD-UHFFFAOYSA-N
DB16045,1103500-20-4,TERN-101,investigational,,,,,,,,,CHEMBL3746388,50500349,TERN-101,,25204767,CN1C=C(C(O)=O)C2=C1C=C(C=C2)N1CCC(CC1)OCC1=C(ON=C1C1=C(Cl)C=CC=C1Cl)C1CC1,"InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)",RPVDFHPBGBMWID-UHFFFAOYSA-N
DB16046,1092551-88-6,TRC150094,investigational,,,,,,,,ZINC000068247259,CHEMBL4297445,,TRC150094,,25125529,CC1=NN(CCC(O)=O)C(C)=C1CC1=CC(C)=C(O)C2=C1CCC2,"InChI=1S/C19H24N2O3/c1-11-9-14(15-5-4-6-16(15)19(11)24)10-17-12(2)20-21(13(17)3)8-7-18(22)23/h9,24H,4-8,10H2,1-3H3,(H,22,23)",OFUOCIUIWKDKPA-UHFFFAOYSA-N
DB16047,1034895-42-5,9-ING-41,investigational,,,,,,,,ZINC000040413912,CHEMBL483465,50267716,9 ING 41,,44582816,CN1C=C(C2=C1C=C1OCOC1=C2)C1=C(C(=O)NC1=O)C1=COC2=CC=C(F)C=C12,"InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)",FARXPFGGGGLENU-UHFFFAOYSA-N
DB16048,1307245-86-8,BTRX-246040,investigational,,,,,,,,ZINC000117173324,CHEMBL3304244,,BTRX-246040,,52914971,CC1=NN(C=C1CN1CCC2(CC1)OCC(F)(F)C1=C2SC(Cl)=C1)C1=NC=CC=C1CO,"InChI=1S/C22H23ClF2N4O2S/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3",NKQHBJNRBKHUQR-UHFFFAOYSA-N
DB16049,1035688-66-4,ASLAN003,investigational,,,,,,,,ZINC000103278714,CHEMBL2263632,119812,ASLAN003,,24986824,COC1=CC(=CC=C1)C1=CC(F)=C(NC2=C(C=CC=N2)C(O)=O)C(F)=C1,"InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)",OMPATGZMNFWVOH-UHFFFAOYSA-N
DB16050,1472797-69-5,FF-10101-01,investigational,,,,,,F6M,,,CHEMBL4650283,397428,FF-10101,,90052320,CCCNC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)\C=C\CN(C)C,"InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1",HJFSVYUFOXAVAA-YUAYGMJFSA-N
DB16051,1204306-34-2,MOL-4239,investigational,,,,,,,,,CHEMBL4594434,,MOL4239,,44554865,C[C@H](NC(=O)C(=C\C=C\C1=CC=CC(Br)=N1)\C#N)C1=CC=CC=C1,"InChI=1S/C19H16BrN3O/c1-14(15-7-3-2-4-8-15)22-19(24)16(13-21)9-5-10-17-11-6-12-18(20)23-17/h2-12,14H,1H3,(H,22,24)/b10-5+,16-9+/t14-/m0/s1",IVAUEQVCSQZMGV-QIUCFAMLSA-N
DB16052,41263-94-9,2'-Fucosyllactose,investigational,,,,1733688,,,,,CHEMBL4297252,,2'-FUCOSYLLACTOSE,,170484,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@]1([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O,"InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1",HWHQUWQCBPAQQH-BWRPKUOHSA-N
DB16053,1202891-16-4,ARRY-502,investigational,,,,,,,,,,234938,,,131633366,COC1=CC(Cl)=CC=C1CCNC(=O)C1=CC=C(OC2=CC3=C(C=C2Cl)[C@H](CCO3)C(O)=O)C=C1,"InChI=1S/C26H23Cl2NO6/c1-33-22-12-17(27)5-2-15(22)8-10-29-25(30)16-3-6-18(7-4-16)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1",QIDYUNXQPQEJEC-IBGZPJMESA-N
DB16054,1820889-23-3,INCB-057643,investigational,,,,,,,,,CHEMBL4594412,391587,INCB057643,,118467751,CN1C=C(C2=C(NC=C2)C1=O)C1=C2OC(C)(C)C(=O)N(C)C2=CC(=C1)S(C)(=O)=O,"InChI=1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3",VZSAMEOETVNDQH-UHFFFAOYSA-N
DB16055,1672665-49-4,PT-2385,investigational,,,,,,79A,,ZINC000230453533,CHEMBL4173075,373008,,,91754484,CS(=O)(=O)C1=C2[C@H](O)C(F)(F)CC2=C(OC2=CC(=CC(F)=C2)C#N)C=C1,"InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1",ONBSHRSJOPSEGS-INIZCTEOSA-N
DB16056,1788906-96-6,GZ-389988,investigational,,,,,,,,ZINC000473215300,CHEMBL3673452,164901,GZ389988,,118009787,COC1=CC=C(COC2=CC=C(CN3C(N)=NC4=C3N=CC(=C4)C3=CN(C)N=C3)C=C2OC)C=C1,"InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)",HVRWZFQFSQUILC-UHFFFAOYSA-N
DB16057,2097713-68-1,OBI-3424,investigational,,,,,,6LG,,,CHEMBL4297474,,OBI-3424,,126961329,C[C@@H](OP(=O)(N1CC1)N1CC1)C1=CC(OC2=CC(=CC=C2)C(=O)N(C)C)=C(C=C1)[N+]([O-])=O,"InChI=1S/C21H25N4O6P/c1-15(31-32(29,23-9-10-23)24-11-12-24)16-7-8-19(25(27)28)20(14-16)30-18-6-4-5-17(13-18)21(26)22(2)3/h4-8,13-15H,9-12H2,1-3H3/t15-/m1/s1",NWGZZGNICQFUHV-OAHLLOKOSA-N
DB16058,590416-75-4,AK106-001616,investigational,,,,,,,,,CHEMBL4297481,,AK-106,,22559109,CN1N=CC2=C1C=CC(=C2)C1=C(OC2CC3=C(C2)C=CC=C3)C(N)=CC(CCC(O)=O)=C1,"InChI=1S/C26H25N3O3/c1-29-24-8-7-19(12-20(24)15-28-29)22-10-16(6-9-25(30)31)11-23(27)26(22)32-21-13-17-4-2-3-5-18(17)14-21/h2-5,7-8,10-12,15,21H,6,9,13-14,27H2,1H3,(H,30,31)",ULNYPYSSPODXCS-UHFFFAOYSA-N
DB16059,1874276-76-2,IDE-196,investigational,,,,,,,,ZINC000584641445,CHEMBL3982723,251460,DAROVASERTIB,,118873253,CC1(N)CCN(CC1)C1=CC=CN=C1NC(=O)C1=C(N)N=CC(=N1)C1=C(C=CC=N1)C(F)(F)F,"InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)",XXJXHXJWQSCNPX-UHFFFAOYSA-N
DB16060,1073616-61-1,V116517,investigational,,,,,,,,,CHEMBL4112578,236099,,,57770545,OC[C@@H](O)C1=CN=C(C(Cl)=C1)C1=CCN(CC1)C(=O)NC1=CC=C(C=N1)C(F)(F)F,"InChI=1S/C19H18ClF3N4O3/c20-14-7-12(15(29)10-28)8-25-17(14)11-3-5-27(6-4-11)18(30)26-16-2-1-13(9-24-16)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,24,26,30)/t15-/m1/s1",BMWVHVOIXZOJTJ-OAHLLOKOSA-N
DB16061,1805833-75-3,Samuraciclib,investigational,,,,,,I74,,ZINC000584905775,CHEMBL4297488,50526797,CT-7001,,91844733,CC(C)C1=C2N=C(NC[C@H]3CCNC[C@@H]3O)C=C(NCC3=CC=CC=C3)N2N=C1,"InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1",YCVGLKWJKIKVBI-MJGOQNOKSA-N
DB16062,139339-45-0,Ro 24-7429,investigational,,,,,,,,ZINC000000005304,CHEMBL2360841,,RO 24-7429,93522,135422895,CNC1=NC2=C(C=C(Cl)C=C2)C(=NC1)C1=CC=CN1,"InChI=1S/C14H13ClN4/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13/h2-7,17H,8H2,1H3,(H,16,19)",LEAKQIXYSHIHCW-UHFFFAOYSA-N
DB16063,1140964-99-3,2X-121,investigational,,,,,,,,ZINC000059277233,CHEMBL3644587,139658,E-7449,,135565981,O=C1NN=C2NC(CN3CC4=C(C3)C=CC=C4)=NC3=C2C1=CC=C3,"InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)",JLFSBHQQXIAQEC-UHFFFAOYSA-N
DB16064,1898283-02-7,LY-3200882,investigational,,,,,,,,,CHEMBL4594432,,LY3200882,,121249291,CC(C)(O)C1=CC(NC2=CC(OC3=CN(N=C3C3CCOCC3)C3CC3)=CC=N2)=CC=N1,"InChI=1S/C24H29N5O3/c1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16/h5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27)",PNPFMWIDAKQFPY-UHFFFAOYSA-N
DB16065,1398046-21-3,Proxalutamide,investigational,30462924,,,,,,,,CHEMBL4594417,,GT-0918,,60194102,CC1(C)N(C(=S)N(C1=O)C1=C(F)C(=C(C=C1)C#N)C(F)(F)F)C1=CN=C(CCCC2=NC=CO2)C=C1,"InChI=1S/C24H19F4N5O2S/c1-23(2)21(34)32(17-9-6-14(12-29)19(20(17)25)24(26,27)28)22(36)33(23)16-8-7-15(31-13-16)4-3-5-18-30-10-11-35-18/h6-11,13H,3-5H2,1-2H3",KCBJGVDOSBKVKP-UHFFFAOYSA-N
DB16066,1100318-47-5,CCX-140,investigational,,,,,,,,ZINC000043204193,CHEMBL2178573,50398343,CCX140,,25134303,CC1=CC(NS(=O)(=O)C2=CC=C(Cl)C(=C2)C(F)(F)F)=C(N=C1)C(=O)C1=C2C=CNC2=NC=N1,"InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)",LUUMLYXKTPBTQR-UHFFFAOYSA-N
DB16067,1425511-32-5,TAK-831,investigational,,,,,,,,ZINC000095592350,CHEMBL2338801,50431085,TAK-831,,71270546,OC1=CC(CCC2=CC=C(C=C2)C(F)(F)F)=NNC1=O,"InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-11(19)12(20)18-17-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)",QBQMUMMSYHUDFM-UHFFFAOYSA-N
DB16068,2244614-14-8,BTRX-335140,investigational,,,,,,,,,CHEMBL4592045,50531908,BTRX-335140,,137434175,CCC1=CC(F)=C2N=C(N3CCC(CC3)NC3CCOCC3)C(C3=NC(C)=NO3)=C(C)C2=C1,"InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3",CQOJHAJWCDJEAT-UHFFFAOYSA-N
DB16069,911714-45-9,SP-420,investigational,,,,,,,,ZINC000084466381,CHEMBL1092665,,SP-420,,135511704,COCCOCCOC1=CC(O)=C(C=C1)C1=N[C@](C)(CS1)C(O)=O,"InChI=1S/C16H21NO6S/c1-16(15(19)20)10-24-14(17-16)12-4-3-11(9-13(12)18)23-8-7-22-6-5-21-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,20)/t16-/m1/s1",YASYAEVZKXPYIZ-MRXNPFEDSA-N
DB16070,1629677-75-3,KZR-616,investigational,,,,,,,,,CHEMBL4297468,50526811,ZETOMIPZOMIB,,117607904,COC1=CC=C(C=C1)[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CCCC1)C(=O)[C@@]1(C)CO1,"InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1",GHYOCDFICYLMRF-UTIIJYGPSA-N
DB16071,184302-49-6,FF-10502,investigational,,,,,,,,,,,,,9903330,NC1=NC(=O)N(C=C1)[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1F,"InChI=1S/C9H12FN3O3S/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1",NIDPJRZOVFIBQB-PXBUCIJWSA-N
DB16072,1820753-68-1,ORP-101,investigational,,,,,,,,,CHEMBL4594402,,ORP-101,,92042890,[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)=CC=C3OCCOC1=CC=C2C[C@H]3N(CC4CC4)CC[C@]45C2=C1O[C@@]4([H])[C@]1(CC[C@@]35C[C@]1([H])[C@](C)(O)C(C)(C)C)OC,"InChI=1S/C60H84N2O8/c1-51(2,3)53(7,63)41-31-55-19-21-59(41,65-9)49-57(55)23-25-61(33-35-11-12-35)43(55)29-37-15-17-39(47(69-49)45(37)57)67-27-28-68-40-18-16-38-30-44-56-20-22-60(66-10,42(32-56)54(8,64)52(4,5)6)50-58(56,46(38)48(40)70-50)24-26-62(44)34-36-13-14-36/h15-18,35-36,41-44,49-50,63-64H,11-14,19-34H2,1-10H3/t41-,42-,43-,44-,49-,50-,53+,54+,55-,56-,57+,58+,59-,60-/m1/s1",LEQOVFCHMOTJKU-WJVXOHEGSA-N
DB16073,1092453-15-0,AZD8529,investigational,,,,,,,,ZINC000043201296,CHEMBL3937907,50194618,,,25125217,CC1=CC(=CC2=C1C(=O)N(CC1=CC=C(OC(F)(F)F)C=C1)C2)C1=NC(CN2CCNCC2)=NO1,"InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3",IPCYZQQFECEHLI-UHFFFAOYSA-N
DB16074,1231220-79-3,LY2828360,investigational,,,,,,,,,CHEMBL3139186,50006250,LY2828360,,46833780,CN1CCN(CC1)C1=C2N=C(N(C3CCOCC3)C2=NC(C)=N1)C1=CC=CC=C1Cl,"InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3",UCMNDPDJRSEZPL-UHFFFAOYSA-N
DB16075,34408-14-5,8-Chloroadenosine,investigational,,,,,,,,ZINC000003963660,CHEMBL4594396,,8-CHLOROADENOSINE,,147569,NC1=NC=NC2=C1N=C(Cl)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,"InChI=1S/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1",MHDPPLULTMGBSI-UUOKFMHZSA-N
DB16076,1207629-49-9,GSK2245035,investigational,,,,,,,,,CHEMBL4297492,,GSK2245035,,44623937,CCC[C@H](C)OC1=NC(N)=C2NC(=O)N(CCCCCN3CCCCC3)C2=N1,"InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1",LFMPVTVPXHNXOT-HNNXBMFYSA-N
DB16077,792921-10-9,Abagovomab,investigational,,,,,,,,,,,,,,,,
DB16078,1902954-60-2,Abeprazan,investigational,,,,,,,,,CHEMBL4594445,,DWP14012,,122662112,CNCC1=CN(C(=C1OC)C1=C(F)C=C(F)C=C1)S(=O)(=O)C1=CC(F)=CC=C1,"InChI=1S/C19H17F3N2O3S/c1-23-10-12-11-24(28(25,26)15-5-3-4-13(20)8-15)18(19(12)27-2)16-7-6-14(21)9-17(16)22/h3-9,11,23H,10H2,1-2H3",OUNXGNDVWVPCOL-UHFFFAOYSA-N
DB16079,2082752-83-6,Aclimostat,investigational,,,,,,,,,CHEMBL4297651,148432,ZGN-1061,,126573394,[H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N1CC(CCN2CCOCC2)C1)[C@@]1(C)O[C@@H]1CC=C(C)C,"InChI=1S/C26H42N2O6/c1-18(2)5-6-21-25(3,34-21)23-22(30-4)20(7-9-26(23)17-32-26)33-24(29)28-15-19(16-28)8-10-27-11-13-31-14-12-27/h5,19-23H,6-17H2,1-4H3/t20-,21-,22-,23-,25+,26+/m1/s1",QJWJPMLDQYEPPW-AUKZVGPFSA-N
DB16080,182167-02-8,Acolbifene,investigational,,,,,,,,,CHEMBL68055,50471255,ACOLBIFENE HYDROCHLORIDE,,155435,CC1=C([C@@H](OC2=C1C=CC(O)=C2)C1=CC=C(OCCN2CCCCC2)C=C1)C1=CC=C(O)C=C1,"InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1",DUYNJNWVGIWJRI-LJAQVGFWSA-N
DB16081,1229453-99-9,Acrizanib,investigational,,,,,,,,,CHEMBL4076112,50270432,,,59394698,CNCC1=CC(OC2=CC=C3N(C=CC3=C2)C(=O)NC2=NN(C)C(=C2)C(F)(F)F)=NC=N1,"InChI=1S/C20H18F3N7O2/c1-24-10-13-8-18(26-11-25-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)27-17-9-16(20(21,22)23)29(2)28-17/h3-9,11,24H,10H2,1-2H3,(H,27,28,31)",XPIHPLVWOUDMPF-UHFFFAOYSA-N
DB16082,1458687-85-8,Adagloxad simolenin,investigational,,,,,,,,,,,,,,,,
DB16083,1675-66-7,Adelmidrol,investigational,,,,,,,,ZINC000004538773,CHEMBL2105967,,ADELMIDROL,,176874,OCCNC(=O)CCCCCCCC(=O)NCCO,"InChI=1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)",PAHZPHDAJQIETD-UHFFFAOYSA-N
DB16084,764-65-8,Iron (III) oxide adipate,investigational,,,,2109241,,,,,,50270022,,17128,200164,[O-]C(=O)CCCCC([O-])=O,"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2",WNLRTRBMVRJNCN-UHFFFAOYSA-L
DB16085,910562-20-8,Aganepag isopropyl,investigational,,,,,,,,ZINC000084759270,CHEMBL2105714,,AGN-210961,177817,46928007,CCCCC[C@H](O)C1=CC=C(C=C1)N1[C@@H](CCCC2=CC=C(S2)C(=O)OC(C)C)CCC1=O,"InChI=1S/C27H37NO4S/c1-4-5-6-10-24(29)20-11-13-22(14-12-20)28-21(15-18-26(28)30)8-7-9-23-16-17-25(33-23)27(31)32-19(2)3/h11-14,16-17,19,21,24,29H,4-10,15,18H2,1-3H3/t21-,24-/m0/s1",GKRBCKDGBDUAIQ-URXFXBBRSA-N
DB16086,1616639-03-2,Aldafermin,investigational,,,,,,,,,,,,,,,,
DB16087,1869057-83-9,Alflutinib,investigational,,,,,,,,,CHEMBL4297258,,FURMONERTINIB,,118861389,CN(C)CCN(C)C1=NC(OCC(F)(F)F)=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C1NC(=O)C=C,"InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35)",GHKOONMJXNWOIW-UHFFFAOYSA-N
DB16088,87344-05-6,Amtolmetin guacil,investigational,,,,,,,,ZINC000006070817,,,,,135911,CN1C(CC(=O)NCC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1,"InChI=1S/C17H18N2O4/c1-11-3-5-12(6-4-11)17(23)14-8-7-13(19(14)2)9-15(20)18-10-16(21)22/h3-8H,9-10H2,1-2H3,(H,18,20)(H,21,22)",IYNXNYQOVKPFMM-UHFFFAOYSA-N
DB16089,959716-29-1,Anivamersen,investigational,,,,,,,,,,,,,,COC1C(OP(O)(=O)OCC2OC(C(OC)C2O)N2C=CC(N)=NC2=O)C(COP(O)(=O)OC2C(COP(O)(=O)OC3C(COP(O)(=O)OC4C(COP(O)(=O)OC5C(COP(O)(=O)OC6C(COP(O)(=O)OC7C(COP(O)(=O)OC8C(COP(O)(=O)OC9C(COP(O)(=O)OC%10C(COP(O)(=O)OC%11C(COP(O)(=O)OC%12C(COP(O)(=O)OC%13C(COP(O)(=O)OC%14C(CO)OC(C%14OC)N%14C=CC(N)=NC%14=O)OC(C%13OC)N%13C=NC%14=C%13N=C(N)NC%14=O)OC(C%12OC)N%12C=CC(N)=NC%12=O)OC(C%11OC)N%11C=NC%12=C%11N=C(N)NC%12=O)OC(C%10OC)N%10C=NC%11=C%10N=C(N)NC%11=O)OC(C9OC)N9C=CC(=O)NC9=O)OC(C8OC)N8C=NC9=C8N=CN=C9N)OC(C7OC)N7C=CC(=O)NC7=O)OC(C6OC)N6C=NC7=C6N=CN=C7N)OC(C5OC)N5C=NC6=C5N=C(N)NC6=O)OC(C4OC)N4C=CC(=O)NC4=O)OC(C3OC)N3C=CC(N)=NC3=O)OC(C2OC)N2C=CC(N)=NC2=O)OC1N1C=NC2=C1N=CN=C2N,"InChI=1S/C157H208N56O103P14/c1-259-102-87(218)58(289-131(102)199-24-16-72(158)183-150(199)223)33-274-317(231,232)310-95-65(296-139(110(95)267-9)207-50-176-80-117(163)170-47-173-120(80)207)40-282-321(239,240)305-90-60(291-134(105(90)262-4)202-27-19-75(161)186-153(202)226)34-276-319(235,236)304-89-59(290-133(104(89)261-3)201-26-18-74(160)185-152(201)225)35-277-320(237,238)307-92-63(294-136(107(92)264-6)204-29-21-77(215)188-155(204)228)38-280-327(251,252)314-99-70(301-143(114(99)271-13)211-54-180-84-124(211)192-147(167)196-128(84)220)45-286-329(255,256)312-97-67(298-141(112(97)269-11)209-52-178-82-119(165)172-49-175-122(82)209)42-284-323(243,244)308-93-62(293-137(108(93)265-7)205-30-22-78(216)189-156(205)229)37-279-325(247,248)311-96-66(297-140(111(96)268-10)208-51-177-81-118(164)171-48-174-121(81)208)41-283-322(241,242)309-94-64(295-138(109(94)266-8)206-31-23-79(217)190-157(206)230)39-281-328(253,254)315-100-71(302-144(115(100)272-14)212-55-181-85-125(212)193-148(168)197-129(85)221)46-287-330(257,258)316-101-69(300-145(116(101)273-15)213-56-182-86-126(213)194-149(169)198-130(86)222)44-285-324(245,246)306-91-61(292-135(106(91)263-5)203-28-20-76(162)187-154(203)227)36-278-326(249,250)313-98-68(299-142(113(98)270-12)210-53-179-83-123(210)191-146(166)195-127(83)219)43-275-318(233,234)303-88-57(32-214)288-132(103(88)260-2)200-25-17-73(159)184-151(200)224/h16-31,47-71,87-116,131-145,214,218H,32-46H2,1-15H3,(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H2,158,183,223)(H2,159,184,224)(H2,160,185,225)(H2,161,186,226)(H2,162,187,227)(H2,163,170,173)(H2,164,171,174)(H2,165,172,175)(H,188,215,228)(H,189,216,229)(H,190,217,230)(H3,166,191,195,219)(H3,167,192,196,220)(H3,168,193,197,221)(H3,169,194,198,222)",DJMVASRJWAOIAN-UHFFFAOYSA-N
DB16090,2145115-85-9,CX-2009,investigational,,,,,,,,,,,,,,,,
DB16091,,EMB-01,investigational,,,,,,,,,,,,,,,,
DB16092,1776942-10-9,RO6874281,investigational,,,,,,,,,,,,,,,,
DB16093,1417412-83-9,PEGylated Recombinant Factor VIII,investigational,,,,,,,,,,,,,,,,
DB16094,1311281-25-0,Antithrombin gamma,investigational,,,,,,,,,,,,,,,,
DB16095,1570231-89-8,APG-1387,investigational,,,,,,,,,,,,,73336238,[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)S(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N1CC[C@@]2([H])CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C60H72N10O10S2/c1-39(61-3)55(71)63-49-37-67(34-32-45-28-30-51(69(45)59(49)75)57(73)65-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)81(77,78)47-26-17-27-48(36-47)82(79,80)68-35-33-46-29-31-52(70(46)60(76)50(38-68)64-56(72)40(2)62-4)58(74)66-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,45-46,49-54,61-62H,28-35,37-38H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t39-,40-,45+,46+,49-,50-,51-,52-/m0/s1",AKLBERUGKZNEJY-RTEPGWBGSA-N
DB16096,2278276-46-1,Apitegromab,investigational,,,,,,,,,,,,,,,,
DB16097,255730-18-8,Artemisone,investigational,,,,,,,,ZINC000072267010,CHEMBL516268,,ARTEMISONE,,11531457,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H]([C@@H]2C)N1CCS(=O)(=O)CC1)O4,"InChI=1S/C19H31NO6S/c1-12-4-5-15-13(2)16(20-8-10-27(21,22)11-9-20)23-17-19(15)14(12)6-7-18(3,24-17)25-26-19/h12-17H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1",FDMUNKXWYMSZIR-NQWKWHCYSA-N
DB16098,1374248-81-3,Atogepant,"['approved', 'investigational']","['30475090', '30600979', '31081399', '33942560']",,,2571813,,,,,CHEMBL3991065,362044,AGN-241689,,72163100,C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=C4C=CC=N2)C(=O)N1CC(F)(F)F)C1=C(F)C(F)=CC=C1F,"InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1",QIVUCLWGARAQIO-OLIXTKCUSA-N
DB16099,1802558-87-7,Avalglucosidase alfa,"['approved', 'investigational']","['30843882', '31392203']",,,2565814,,,,,,,,,,,,
DB16100,187219-99-4,Axomadol,investigational,,,,,,,,,,,,,15344754,COC1=CC=CC(=C1)[C@]1(O)C[C@@H](O)CC[C@H]1CN(C)C,"InChI=1S/C16H25NO3/c1-17(2)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)20-3/h4-6,9,13-14,18-19H,7-8,10-11H2,1-3H3/t13-,14-,16+/m0/s1",LQJLLAOISDVBJM-OFQRWUPVSA-N
DB16101,491-67-8,Baicalein,investigational,,,,1592893,,3WL,,ZINC000003871633,CHEMBL8260,50009001,BAICALEIN,2979,5281605,OC1=CC2=C(C(O)=C1O)C(=O)C=C(O2)C1=CC=CC=C1,"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H",FXNFHKRTJBSTCS-UHFFFAOYSA-N
DB16102,10309-37-2,Bakuchiol,investigational,,,,1368134,,,,ZINC000001644304,CHEMBL262344,50478311,BAKUCHIOL,,5468522,CC(C)=CCC[C@@](C)(C=C)\C=C\C1=CC=C(O)C=C1,"InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1",LFYJSSARVMHQJB-QIXNEVBVSA-N
DB16103,195533-53-0,Batabulin,investigational,,,,,,T13,,,CHEMBL79280,,T-138067 SODIUM,,216324,COC1=C(F)C=C(NS(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1,"InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3",ROZCIVXTLACYNY-UHFFFAOYSA-N
DB16104,2187430-05-1,Batoclimab,investigational,,,,,,,,,,,,,,,,
DB16105,1952272-74-0,Bemarituzumab,investigational,,,,,,,,,,,,,,,,
DB16106,1224887-10-8,GSK2256098,investigational,,,,,,,,ZINC000114407258,CHEMBL4742157,,GSK2256098,,46214930,CONC(=O)C1=CC=CC=C1NC1=CC(NC2=CC(C)=NN2C(C)C)=NC=C1Cl,"InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)",BVAHPPKGOOJSPU-UHFFFAOYSA-N
DB16107,755038-02-9,BI 2536,investigational,,,,,,R78,,ZINC000013986815,CHEMBL513909,25121,BI 2536,,11364421,CC[C@H]1N(C2CCCC2)C2=NC(NC3=CC=C(C=C3OC)C(=O)NC3CCN(C)CC3)=NC=C2N(C)C1=O,"InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1",XQVVPGYIWAGRNI-JOCHJYFZSA-N
DB16108,303162-79-0,TAK-715,investigational,,,,,,T75,,ZINC000006717791,CHEMBL363648,50173609,TAK-715,91360,9952773,CCC1=NC(=C(S1)C1=CC(NC(=O)C2=CC=CC=C2)=NC=C1)C1=CC=CC(C)=C1,"InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)",HEKAIDKUDLCBRU-UHFFFAOYSA-N
DB16109,921195-93-9,GED-0507-34-Levo,investigational,,,,,,,,ZINC000034842136,,,,,67008033,CO[C@@H](CC1=CC=C(N)C=C1)C(O)=O,"InChI=1S/C10H13NO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1",QLJYLJGYIDIJPT-VIFPVBQESA-N
DB16110,843661-24-5,GSK232802,investigational,,,,,,,,,CHEMBL4297493,,GSK232802,,11199337,CC1(C)CC(CC(C)(C)C1)=C(C1=CC=C(O)C=C1)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C24H28O3/c1-23(2)13-19(14-24(3,4)15-23)21(17-9-11-20(25)12-10-17)16-5-7-18(8-6-16)22(26)27/h5-12,25H,13-15H2,1-4H3,(H,26,27)",KNQLNDPHLXIOCY-UHFFFAOYSA-N
DB16111,1417742-86-9,CR6086,investigational,,,,,,,,,CHEMBL3920982,191548,CR 6086,,71186236,OC(=O)C1=CC=C(C=C1)C1(CC1)NC(=O)C1CC2(CC2)CCN1CC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)",CADWTPLFEZSAHM-UHFFFAOYSA-N
DB16112,870809-51-1,OT-730,investigational,,,,,,,,,,,,,11554979,CC1=CC(O)=C(O)C=C1C(=O)OC[C@H](CNC(C)(C)CNC(=O)C1CCOC1)OC(=O)C1(C)CC1,"InChI=1S/C25H36N2O8/c1-15-9-19(28)20(29)10-18(15)22(31)34-13-17(35-23(32)25(4)6-7-25)11-27-24(2,3)14-26-21(30)16-5-8-33-12-16/h9-10,16-17,27-29H,5-8,11-14H2,1-4H3,(H,26,30)/t16?,17-/m0/s1",ANXXSWNMHQHOQC-DJNXLDHESA-N
DB16113,1977488-08-6,Bizalimogene ralaplasmid,investigational,,,,,,,,,,,,,,,,
DB16114,729607-74-3,HIV Integrase Inhibitor,investigational,,,,,,,,ZINC000003842433,CHEMBL486226,,BMS-707035,,54682040,CN1C(=O)C(O)=C(N=C1N1CCCCS1(=O)=O)C(=O)NCC1=CC=C(F)C=C1,"InChI=1S/C17H19FN4O5S/c1-21-16(25)14(23)13(15(24)19-10-11-4-6-12(18)7-5-11)20-17(21)22-8-2-3-9-28(22,26)27/h4-7,23H,2-3,8-10H2,1H3,(H,19,24)",VNIWZCGZPBJWBI-UHFFFAOYSA-N
DB16115,1610353-18-8,Brazikumab,investigational,,,,,,,,,,,,,,,,
DB16116,1803075-42-4,Brivoligide,investigational,,,,,,,,,,,,,,,,
DB16117,951123-45-8,Buprenorphine hemiadipate,investigational,,,,,,,,,,,,,57383391,[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)=CC=C3OC(=O)CCCCC(O)=O,"InChI=1S/C35H49NO7/c1-31(2,3)32(4,40)24-19-33-14-15-35(24,41-5)30-34(33)16-17-36(20-21-10-11-21)25(33)18-22-12-13-23(29(43-30)28(22)34)42-27(39)9-7-6-8-26(37)38/h12-13,21,24-25,30,40H,6-11,14-20H2,1-5H3,(H,37,38)/t24-,25-,30-,32+,33-,34+,35-/m1/s1",CVIJJOARNCQGON-XYQNZYJMSA-N
DB16118,544417-40-5,Capadenoson,investigational,,,,,,,,ZINC000043202900,CHEMBL3235279,50003646,CAPADENOSON,,9936489,NC1=NC(SCC2=CSC(=N2)C2=CC=C(Cl)C=C2)=C(C#N)C(C2=CC=C(OCCO)C=C2)=C1C#N,"InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)",CITWCLNVRIKQAF-UHFFFAOYSA-N
DB16119,401905-67-7,Carotegrast methyl,investigational,,,,,,,,ZINC000070647168,,,,,9872780,COC(=O)[C@H](CC1=CC=C(C=C1)N1C(=O)N(C)C2=C(C=C(C=C2)N(C)C)C1=O)NC(=O)C1=C(Cl)C=CC=C1Cl,"InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1",MMHHPKCJJIFLBQ-QFIPXVFZSA-N
DB16120,25615-05-8,Epigallo Catechin Gallate,investigational,,,,,,XEG,,ZINC000004534390,CHEMBL483083,50487717,,76132,5276454,OC1=CC2=C(C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1",LSHVYAFMTMFKBA-PZJWPPBQSA-N
DB16121,1639264-46-2,Cemdisiran,investigational,,,,,,,,,,,,,,,,
DB16122,57961-90-7,Centhaquine,investigational,,,,,,,,ZINC000000001105,CHEMBL4594437,,CENTHAQUINE,,162163,CC1=CC(=CC=C1)N1CCN(CCC2=CC=C3C=CC=CC3=N2)CC1,"InChI=1S/C22H25N3/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20/h2-10,17H,11-16H2,1H3",UJNWGFBJUHIJKK-UHFFFAOYSA-N
DB16123,891859-12-4,Ceralifimod,investigational,,,,,,,,ZINC000043130789,CHEMBL4093489,50250631,,,11502996,CCCC1=CC=C(COC2=CC3=C(C=C2)C(C)=C(CN2CC(C2)C(O)=O)CC3)C(OC)=C1,"InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)",QDDQIPUKAXBMBX-UHFFFAOYSA-N
DB16124,1256349-48-0,Chiauranib,investigational,,,,,,,,,,,CS-2164,,49779393,COC1=CC=C2C(OC3=CC4=CC=CC(C(=O)NC5=CC=CC=C5N)=C4C=C3)=CC=NC2=C1,"InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)",BRKWREZNORONDU-UHFFFAOYSA-N
DB16125,1202402-40-1,Ciforadenant,investigational,,,,,,,,,CHEMBL4297184,,CPI-444,,44537963,CC1=CC=C(O1)C1=C2N=NN(CC3=CC=CC(CO[C@H]4CCOC4)=N3)C2=NC(N)=N1,"InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1",KURQKNMKCGYWRJ-HNNXBMFYSA-N
DB16126,329773-35-5,Cinaciguat,investigational,,,,,,Z90,,ZINC000003934935,CHEMBL1236936,,BAY 58-2667,142433,9808022,OC(=O)CCCCN(CCC1=C(OCC2=CC=C(CCC3=CC=CC=C3)C=C2)C=CC=C1)CC1=CC=C(C=C1)C(O)=O,"InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)",WPYWMXNXEZFMAK-UHFFFAOYSA-N
DB16127,2094516-02-4,Cinpanemab,investigational,,,,,,,,,,,,,,,,
DB16128,1917321-26-6,Crovalimab,investigational,,,,,,,,,,,,,,,,
DB16129,1008993-65-4,TZP-102,investigational,,,,,,,,,,,,,,CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@@H](NC[C@@H](C)OC2=C(CC[C@H](C)NC1=O)C=CC=C2)C1CC1,"InChI=1S/C28H44N4O4/c1-17(2)15-23-27(34)30-18(3)11-12-21-9-7-8-10-24(21)36-19(4)16-29-25(22-13-14-22)28(35)32(6)20(5)26(33)31-23/h7-10,17-20,22-23,25,29H,11-16H2,1-6H3,(H,30,34)(H,31,33)/t18-,19?,20+,23?,25?/m0/s1",HIIMPSTXUQUYOO-KRANKMRJSA-N
DB16130,54863-37-5,Dapansutrile,investigational,33005902,,,,,,,ZINC000032005410,CHEMBL3989943,50505850,OLT1177,,12714644,CS(=O)(=O)CCC#N,"InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3",LQFRYKBDZNPJSW-UHFFFAOYSA-N
DB16131,1416147-64-2,Dapirolizumab pegol,investigational,,,,,,,,,,,,,,,,
DB16132,239101-33-8,Deferitrin,investigational,,,,,,,,ZINC000013645794,CHEMBL432481,,GT-56-252,,135413558,C[C@@]1(CSC(=N1)C1=CC=C(O)C=C1O)C(O)=O,"InChI=1S/C11H11NO4S/c1-11(10(15)16)5-17-9(12-11)7-3-2-6(13)4-8(7)14/h2-4,13-14H,5H2,1H3,(H,15,16)/t11-/m1/s1",OEUUFNIKLCFNLN-LLVKDONJSA-N
DB16133,1263774-59-9,Delgocitinib,investigational,,,,,,FHX,5426,ZINC000117625213,CHEMBL4297507,,DELGOCITINIB,167600,50914062,C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)C1=C2C=CNC2=NC=N1,"InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1",LOWWYYZBZNSPDT-ZBEGNZNMSA-N
DB16134,483369-58-0,Denagliptin,investigational,,,,,,,,,CHEMBL2110666,,GW823093C,,9887755,N[C@@H](C(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1)C(=O)N1C[C@@H](F)C[C@H]1C#N,"InChI=1S/C20H18F3N3O/c21-14-5-1-12(2-6-14)18(13-3-7-15(22)8-4-13)19(25)20(27)26-11-16(23)9-17(26)10-24/h1-8,16-19H,9,11,25H2/t16-,17-,19-/m0/s1",URRAHSMDPCMOTH-LNLFQRSKSA-N
DB16135,1616690-16-4,Desidustat,investigational,"['30458168', '31112954']",,,,,,,,CHEMBL4650314,,DESIDUSTAT,,75593290,OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2N(OCC2CC2)C1=O,"InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)",IKRKQQLJYBAPQT-UHFFFAOYSA-N
DB16136,1620401-56-0,Dexisometheptene mucate,investigational,,,,,,,,ZINC000001683250,CHEMBL1476245,,TNX-201,,24871315,CN[C@H](C)CCC=C(C)C,"InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3/t9-/m1/s1",XVQUOJBERHHONY-SECBINFHSA-N
DB16137,1262440-25-4,Dezapelisib,investigational,,,,,,,,ZINC000095564453,CHEMBL2216863,50004547,INCB-040093,,58111426,C[C@H](NC1=C2N=CNC2=NC=N1)C1=C(C(=O)N2C(C)=CSC2=N1)C1=CC=CC(F)=C1,"InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1",RSIWALKZYXPAGW-NSHDSACASA-N
DB16138,220997-97-7,Diflomotecan,investigational,,,,,,,,,CHEMBL306280,,DIFLOMOTECAN,144046,219023,CC[C@@]1(O)CC(=O)OCC2=C1C=C1N(CC3=CC4=CC(F)=C(F)C=C4N=C13)C2=O,"InChI=1S/C21H16F2N2O4/c1-2-21(28)7-18(26)29-9-12-13(21)5-17-19-11(8-25(17)20(12)27)3-10-4-14(22)15(23)6-16(10)24-19/h3-6,28H,2,7-9H2,1H3/t21-/m1/s1",LFQCJSBXBZRMTN-OAQYLSRUSA-N
DB16139,174691-84-0,DAR-0100A,investigational,,,,,,,,ZINC000025758512,CHEMBL25856,50010686,DIHYDREXIDINE,124993,6603820,[H][C@@]12CCC3=C(C=C(O)C(O)=C3)[C@@]1([H])C1=C(CN2)C=CC=C1,"InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1",BGOQGUHWXBGXJW-RHSMWYFYSA-N
DB16140,1791420-09-1,Dilpacimab,investigational,,,,,,,,,,,,,,,,
DB16141,366472-45-9,Dimethandrolone Undecanoate,investigational,,,,,,,,,,,,,67333747,[H][C@@]12CC[C@H](OC(=O)CCCCCCCCCC)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H],"InChI=1S/C31H50O3/c1-5-6-7-8-9-10-11-12-13-28(33)34-27-17-16-26-30-21(2)18-23-19-24(32)14-15-25(23)29(30)22(3)20-31(26,27)4/h19,21-22,25-27,29-30H,5-18,20H2,1-4H3/t21-,22+,25+,26+,27+,29-,30+,31+/m1/s1",FVICENFBEMJOCE-RTFNQGFNSA-N
DB16142,58338-59-3,Acetyldinaline,investigational,,,,,,,,ZINC000000001310,CHEMBL1351761,115054,NSC-328786,,42725,NC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1N,"InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)",QGMGHALXLXKCBD-UHFFFAOYSA-N
DB16143,2137932-23-9,Dirocaftor,investigational,,,,,,,,,,,,,,C[Si](C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=C(C=CC=C2)C1=O)[Si](C)(C)C,"InChI=1S/C22H28N2O3Si2/c1-28(2,3)19-12-20(29(4,5)6)18(25)11-17(19)24-22(27)15-13-23-16-10-8-7-9-14(16)21(15)26/h7-13,25H,1-6H3,(H,23,26)(H,24,27)",TYQIFWXBQYAKCR-UHFFFAOYSA-N
DB16144,868562-36-1,Dopastatin,investigational,,,,,,,,,,,,,,[H][C@@]12CC3=CNC4=C3C(=CC=C4)[C@@]1([H])C[C@@H](CSCC(=O)NCCCC[C@@H](NC(=O)CSC[C@H]1CN(CCC)[C@]3([H])CC4=CNC5=C4C(=CC=C5)[C@@]3([H])C1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)CN2CCC,"InChI=1S/C86H116N16O12S4/c1-5-30-101-41-51(32-60-58-17-14-22-64-76(58)54(39-91-64)36-72(60)101)43-115-47-74(105)89-29-13-11-21-66(93-75(106)48-116-44-52-33-61-59-18-15-23-65-77(59)55(40-92-65)37-73(61)102(42-52)31-6-2)81(109)99-70-45-117-118-46-71(86(114)100-78(49(4)103)79(88)107)98-80(108)62(7-3)94-82(110)67(20-10-12-28-87)95-84(112)69(35-53-38-90-63-19-9-8-16-57(53)63)97-83(111)68(96-85(70)113)34-50-24-26-56(104)27-25-50/h8-9,14-19,22-27,38-40,49,51-52,60-62,66-73,78,90-92,103-104H,5-7,10-13,20-21,28-37,41-48,87H2,1-4H3,(H2,88,107)(H,89,105)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,111)(H,98,108)(H,99,109)(H,100,114)/t49-,51-,52-,60-,61-,62?,66-,67+,68?,69-,70?,71+,72-,73-,78+/m1/s1",WLBJBODHTIKYSL-RXHQQAJBSA-N
DB16145,1285572-51-1,Dotinurad,investigational,,,,,,,5425,,CHEMBL4594446,,FYU-981,,51349053,OC1=C(Cl)C=C(C=C1Cl)C(=O)N1CS(=O)(=O)C2=CC=CC=C12,"InChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2",VOFLAIHEELWYGO-UHFFFAOYSA-N
DB16146,80448-90-4,Dynorphin,investigational,,,,,,,,,CHEMBL411557,50010702,,,44298303,[H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1",JMNJYGMAUMANNW-FIXZTSJVSA-N
DB16147,2005486-31-5,Ebopiprant,investigational,,,,,,,,,CHEMBL3975522,244799,OBE022,,122522051,CC(C)[C@H](N)C(=O)OCC[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(F)C=C1,"InChI=1S/C30H34FN3O5S2/c1-20(2)27(32)30(36)39-18-16-26(23-8-12-24(31)13-9-23)33-28(35)29-34(17-19-40-29)41(37,38)25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,20,26-27,29H,16-19,32H2,1-2H3,(H,33,35)/t26-,27-,29-/m0/s1",UUIBKACUTXYSAK-YCVJPRETSA-N
DB16148,136892-64-3,Ecraprost,investigational,,,,,,,,ZINC000003780931,CHEMBL2104574,,CIRCULASE,,6917049,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(OC(=O)CCC)=C1CCCCCCC(=O)OCCCC,"InChI=1S/C28H48O6/c1-4-7-11-15-22(29)18-19-23-24(26(21-25(23)30)34-28(32)14-6-3)16-12-9-10-13-17-27(31)33-20-8-5-2/h18-19,22-23,25,29-30H,4-17,20-21H2,1-3H3/b19-18+/t22-,23+,25+/m0/s1",HITYEEHTEOQBAC-OSIGYOHNSA-N
DB16149,2049067-94-7,Efavaleukin alfa,investigational,,,,,,,,,,,,,,,,
DB16150,1800476-36-1,Eftilagimod alfa,investigational,,,,,,,,,,,,,,,,
DB16151,762260-74-2,Efungumab,investigational,,,,,,,,,,,,,,,,
DB16152,673478-49-4,VEGFR2-169,investigational,,,,,,,,,,,,177637,25210976,CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(O)=O,"InChI=1S/C47H76N16O13/c1-5-25(4)37(45(75)76)62-40(70)28(15-10-18-55-47(52)53)58-41(71)30(21-33(49)64)57-34(65)23-56-39(69)31(22-35(66)67)60-43(73)32-16-11-19-63(32)44(74)36(24(2)3)61-42(72)29(20-26-12-7-6-8-13-26)59-38(68)27(48)14-9-17-54-46(50)51/h6-8,12-13,24-25,27-32,36-37H,5,9-11,14-23,48H2,1-4H3,(H2,49,64)(H,56,69)(H,57,65)(H,58,71)(H,59,68)(H,60,73)(H,61,72)(H,62,70)(H,66,67)(H,75,76)(H4,50,51,54)(H4,52,53,55)/t25-,27-,28-,29-,30-,31-,32-,36-,37-/m0/s1",ZAJHBCDPAUKEPU-GIKXZWSFSA-N
DB16153,1642300-52-4,Eltanexor,investigational,,,,,,,,,CHEMBL4297623,,KPT-8602,,86345880,NC(=O)C(=C\N1C=NC(=N1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)\C1=CN=CN=C1,"InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+",JFBAVWVBLRIWHM-AWNIVKPZSA-N
DB16154,2101868-82-8,Eluforsen,investigational,,,,,,,,,,,,,,,,
DB16155,1192706-53-8,Empegfilgrastim,investigational,,L03AA16,,,,,,,,,,,,,,
DB16156,1912424-97-5,Enapotamab vedotin,investigational,,,,,,,,,,,,,,,,
DB16157,1884461-72-6,Ensifentrine,investigational,,,,,,,,ZINC000000602859,CHEMBL4594287,,RPL-554,,,COC1=C(OC)C=C2C(CCN3C(=O)N(CCNC(N)=O)\C(C=C23)=N\C2=C(C)C=C(C)C=C2C)=C1,"InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)/b29-23+",CSOBIBXVIYAXFM-BYNJWEBRSA-N
DB16158,208576-22-1,Epafipase,investigational,,,,,,,,,,,,,,,,
DB16159,51543-39-6,Esflurbiprofen,investigational,,,,,,FLP,5060,ZINC000000000323,CHEMBL435298,50172479,ESFLURBIPROFEN,42446,72099,C[C@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1",SYTBZMRGLBWNTM-JTQLQIEISA-N
DB16160,1799328-86-1,ASTX660,investigational,,,,,,,,,CHEMBL4173974,50450046,ASTX660,,118169620,C[C@@H]1CN(CC(=O)N2CC(C)(C)C3=C2C=C(CC2=CC=C(F)C=C2)C(CO)=N3)[C@@H](CN2CCOC[C@H]2C)CN1,"InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1",YCXOHEXZVKOGEV-DNRQZRRGSA-N
DB16161,1404122-92-4,Exebacase,investigational,,,,,,,,,,,,,,,,
DB16162,1781244-77-6,Exicorilant,investigational,,,,,,,,,CHEMBL4089731,50265794,CORT-125281,,118092367,[H][C@@]12CCN(C[C@]1(CC1=C(C2)N(N=C1)C1=CC=C(F)C=C1)C(=O)C1=CC(=CC=N1)C(F)(F)F)S(=O)(=O)C1=NN(C)N=C1,"InChI=1S/C26H23F4N7O3S/c1-35-32-14-23(34-35)41(39,40)36-9-7-17-11-22-16(13-33-37(22)20-4-2-19(27)3-5-20)12-25(17,15-36)24(38)21-10-18(6-8-31-21)26(28,29)30/h2-6,8,10,13-14,17H,7,9,11-12,15H2,1H3/t17-,25-/m0/s1",HWJYJKAURRIWJM-GKVSMKOHSA-N
DB16163,110958-19-5,Fasoracetam,investigational,,,,,,,,ZINC000003779713,CHEMBL2106179,,AEVI-001,31592,198695,O=C([C@H]1CCC(=O)N1)N1CCCCC1,"InChI=1S/C10H16N2O2/c13-9-5-4-8(11-9)10(14)12-6-2-1-3-7-12/h8H,1-7H2,(H,11,13)/t8-/m1/s1",GOWRRBABHQUJMX-MRVPVSSYSA-N
DB16164,134098-61-6,Fenpyroximate,investigational,,,,,,,,ZINC000001532155,CHEMBL365100,,,5011,9576412,CN1N=C(C)C(\C=N\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1,"InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+",YYJNOYZRYGDPNH-MFKUBSTISA-N
DB16165,1050477-31-0,Finerenone,"['approved', 'investigational']","['19617444', '33857953', '34015478', '34208285', '34026868', '30171161']",,,2562811,,,,,CHEMBL2181927,,BAY-94-8862,,60150535,CCOC1=NC=C(C)C2=C1[C@H](C1=CC=C(C=C1OC)C#N)C(C(N)=O)=C(C)N2,"InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1",BTBHLEZXCOBLCY-QGZVFWFLSA-N
DB16166,1434635-54-7,Firsocostat,investigational,,,,,,,,ZINC000207531097,CHEMBL3407547,50069756,GS-0976,,71528744,COC1=CC=CC=C1[C@H](CN1C2=C(C(C)=C(S2)C2=NC=CO2)C(=O)N(C1=O)C(C)(C)C(O)=O)OC1CCOCC1,"InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1",ZZWWXIBKLBMSCS-FQEVSTJZSA-N
DB16167,1707289-21-1,Fisogatinib,investigational,,,,,,,,,CHEMBL4514636,,FISOGATINIB,,91885617,COC1=CC(OC)=C(Cl)C(=C1Cl)C1=CC2=CN=C(N[C@@H]3COCC[C@@H]3NC(=O)C=C)N=C2C=C1,"InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1",MGZKYOAQVGSSGC-DLBZAZTESA-N
DB16168,865838-26-2,Fluorocyclopentenylcytosine,investigational,,,,,,,,ZINC000084651969,CHEMBL2064455,,TV-1360,147412,11242315,NC1=NC(=O)N(C=C1)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F,"InChI=1S/C10H12FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,7-9,15-17H,3H2,(H2,12,13,18)/t7-,8-,9+/m1/s1",QLLGKCJUPWYJON-HLTSFMKQSA-N
DB16169,515138-06-4,Fonadelpar,investigational,,,,,,,,ZINC000033974001,CHEMBL3545186,,SJP-0035,,9827461,CC(C)C1=C(CCC2=NOC3=CC(OCC(O)=O)=C(C)C=C23)SC(=N1)C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C25H23F3N2O4S/c1-13(2)23-21(35-24(29-23)15-4-6-16(7-5-15)25(26,27)28)9-8-18-17-10-14(3)19(33-12-22(31)32)11-20(17)34-30-18/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,31,32)",WWKYLBGQYALEDL-UHFFFAOYSA-N
DB16170,946415-64-1,Foralumab,investigational,,,,,,,,,,,,,,,,
DB16171,1907685-81-7,Foscarbidopa,investigational,,,,,,,,,CHEMBL4802240,,FOSCARBIDOPA,192511,121288738,C[C@@](CC1=CC=C(OP(O)(O)=O)C(O)=C1)(NN)C(O)=O,"InChI=1S/C10H15N2O7P/c1-10(12-11,9(14)15)5-6-2-3-8(7(13)4-6)19-20(16,17)18/h2-4,12-13H,5,11H2,1H3,(H,14,15)(H2,16,17,18)/t10-/m0/s1",PQUZXFMHVSMUNG-JTQLQIEISA-N
DB16172,1256037-60-1,Foslinanib,investigational,,,,,,,,ZINC000064447756,CHEMBL1615993,,CVM-1118,,49840582,COC1=C(OP(O)(O)=O)C2=C(NC(=CC2=O)C2=CC(F)=CC=C2)C=C1,"InChI=1S/C16H13FNO6P/c1-23-14-6-5-11-15(16(14)24-25(20,21)22)13(19)8-12(18-11)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,18,19)(H2,20,21,22)",ZDWFMAHQGDEALT-UHFFFAOYSA-N
DB16173,1261113-96-5,Ganaplacide,investigational,,,,,,,,,CHEMBL2058833,50388532,GANAPLACIDE,,49856296,CC1(C)N(CCN2C(NC3=CC=C(F)C=C3)=C(N=C12)C1=CC=C(F)C=C1)C(=O)CN,"InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3",BUPRVECGWBHCQV-UHFFFAOYSA-N
DB16174,2166101-71-7,Giroctocogene fitelparvovec,investigational,,,,,,,,,,,,,,,,
DB16175,2101829-58-5,Glenzocimab,investigational,,,,,,,,,,,,,,,,
DB16176,551936-17-5,AIM-102,investigational,,,,,,,,ZINC000034269848,,,,,10126114,N[C@H](CC1CCCCC1)C(=O)N[C@H](CCC(O)=O)C(=O)NCC(O)=O,"InChI=1S/C16H27N3O6/c17-11(8-10-4-2-1-3-5-10)15(24)19-12(6-7-13(20)21)16(25)18-9-14(22)23/h10-12H,1-9,17H2,(H,18,25)(H,19,24)(H,20,21)(H,22,23)/t11-,12-/m1/s1",CNDMSQXUUIBFPE-VXGBXAGGSA-N
DB16177,502-97-6,ABH001,investigational,,,,1540882,,,,ZINC000004284649,,,,,65432,O=C1COC(=O)CO1,InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2,RKDVKSZUMVYZHH-UHFFFAOYSA-N
DB16178,1417579-81-7,Glymera,investigational,,,,,,,,,,,,,,,,
DB16179,1257358-38-5,Gontivimab,investigational,,,,,,,,,,,,,,,,
DB16180,160790-21-6,GP2 peptide,investigational,,,,,,,,,,,,,,,,
DB16181,149957-14-2,ISIS 2503,investigational,,,,,,,,,,,,,,,,
DB16182,934828-12-3,CXD101,investigational,,,,,,,,ZINC000060328762,CHEMBL4297489,,CXD-101,,16225380,CN1C=C(CN2CCC(CC2)C2=CC=C(C=C2)C(=O)NC2=CC=CC=C2N)C(C)=N1,"InChI=1S/C24H29N5O/c1-17-21(15-28(2)27-17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-23-6-4-3-5-22(23)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)",JHDZMASHNBKTPS-UHFFFAOYSA-N
DB16183,14459-29-1,Hemoporfin,investigational,,,,5164,,,3274,,CHEMBL403729,,HEMATOPORPHYRIN,36162,,CC(O)C1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(C)=C5C(C)O)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C,"InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-",UJKPHYRXOLRVJJ-AMPAVEGJSA-N
DB16184,1257792-41-8,Hetrombopag,investigational,,,,,,,,,CHEMBL4594401,,SHR8735,,,CC1=NN(C(=O)\C1=N/NC1=C(O)C(=CC=C1)C1=CC=C(O1)C(O)=O)C1=CC=C2CCCCC2=C1,"InChI=1S/C25H22N4O5/c1-14-22(24(31)29(28-14)17-10-9-15-5-2-3-6-16(15)13-17)27-26-19-8-4-7-18(23(19)30)20-11-12-21(34-20)25(32)33/h4,7-13,26,30H,2-3,5-6H2,1H3,(H,32,33)/b27-22-",BDGGFTDRPHKXFC-QYQHSDTDSA-N
DB16185,1257628-77-5,HQP1351,investigational,,,,,,,,ZINC000095594040,CHEMBL2316582,50425780,HQP-1351,,51038269,CN1CCN(CC2=C(C=C(NC(=O)C3=CC(C#CC4=CC5=C(NN=C5)N=C4)=C(C)C=C3)C=C2)C(F)(F)F)CC1,"InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)",TZKBVRDEOITLRB-UHFFFAOYSA-N
DB16186,1472614-83-7,PEN-866,investigational,,,,,,,,,CHEMBL4297475,,PEN-866,,135564925,CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CCN4C=CC5=CC(=CC=C45)N4C(=O)NN=C4C4=CC(C(C)C)=C(O)C=C4O)CC3)C=C12,"InChI=1S/C49H49N7O9/c1-5-31-33-20-30(8-9-38(33)50-43-35(31)24-55-40(43)22-37-36(45(55)59)25-64-46(60)49(37,63)6-2)65-48(62)54-16-12-27(13-17-54)11-15-53-18-14-28-19-29(7-10-39(28)53)56-44(51-52-47(56)61)34-21-32(26(3)4)41(57)23-42(34)58/h7-10,14,18-23,26-27,57-58,63H,5-6,11-13,15-17,24-25H2,1-4H3,(H,52,61)/t49-/m0/s1",QTPZAEAYDWMVJO-GGCSAXROSA-N
DB16187,59112-80-0,C-peptide,investigational,,,,,,,,,CHEMBL4594409,,HUMAN C-PEPTIDE,,102163126,CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C129H211N35O48/c1-58(2)42-77(155-113(195)74(31-39-102(184)185)151-127(209)105(65(15)16)162-114(196)71(25-32-88(131)167)145-95(174)54-141-126(208)104(64(13)14)161-115(197)72(26-33-89(132)168)150-118(200)80(45-61(7)8)156-121(203)83(48-103(186)187)159-112(194)73(30-38-101(182)183)148-107(189)67(18)143-109(191)69(130)24-36-99(178)179)111(193)138-50-93(172)135-49-92(171)136-55-98(177)163-40-20-22-86(163)124(206)140-51-94(173)142-66(17)106(188)137-52-96(175)146-84(56-165)122(204)157-81(46-62(9)10)119(201)152-75(27-34-90(133)169)128(210)164-41-21-23-87(164)125(207)160-78(43-59(3)4)116(198)144-68(19)108(190)154-79(44-60(5)6)117(199)149-70(29-37-100(180)181)110(192)139-53-97(176)147-85(57-166)123(205)158-82(47-63(11)12)120(202)153-76(129(211)212)28-35-91(134)170/h58-87,104-105,165-166H,20-57,130H2,1-19H3,(H2,131,167)(H2,132,168)(H2,133,169)(H2,134,170)(H,135,172)(H,136,171)(H,137,188)(H,138,193)(H,139,192)(H,140,206)(H,141,208)(H,142,173)(H,143,191)(H,144,198)(H,145,174)(H,146,175)(H,147,176)(H,148,189)(H,149,199)(H,150,200)(H,151,209)(H,152,201)(H,153,202)(H,154,190)(H,155,195)(H,156,203)(H,157,204)(H,158,205)(H,159,194)(H,160,207)(H,161,197)(H,162,196)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,211,212)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,104-,105-/m0/s1",VOUAQYXWVJDEQY-QENPJCQMSA-N
DB16188,2156634-62-5,Anti-TFPI,investigational,,,,,,,,,,,,,,,,
DB16189,1275582-97-2,Ibezapolstat,investigational,,,,,,,,,CHEMBL4571518,,ACX-362E,,136022209,ClC1=C(Cl)C=C(CNC2=NC(=O)C3=C(N2)N=CN3CCN2CCOCC2)C=C1,"InChI=1S/C18H20Cl2N6O2/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27)",DEGSGBKTODESHH-UHFFFAOYSA-N
DB16190,1271734-34-9,Idursulfase beta,investigational,,A16AB16,,,,,,,,,,,,,,
DB16191,1236667-40-5,Ifidancitinib,investigational,,,,,,,,,,,,,,COC1=C(F)C(C)=CC(NC2=NC=C(C)C(NC3=CC=C4OC(=O)NC4=C3)=N2)=C1,"InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)",OYFMQDVLFYKOPZ-UHFFFAOYSA-N
DB16192,1321514-06-0,Imaradenant,investigational,,,,,,F9Q,,,CHEMBL4594442,493757,AZD-4635,,86676119,CC1=NC(Cl)=CC(=C1)C1=NN=C(N)N=C1C1=CC=C(F)C=C1,"InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)",NCWQLHHDGDXIJN-UHFFFAOYSA-N
DB16193,2062661-53-2,IMR-687,investigational,,,,,,,,,CHEMBL4297290,,IMR-687,,124220601,C[C@@H]1CN(CC2=NC=CC=N2)C[C@H]1C1=CN2C(=NC=C2C(=O)N1)C1CCOCC1,"InChI=1S/C21H26N6O2/c1-14-10-26(13-19-22-5-2-6-23-19)11-16(14)17-12-27-18(21(28)25-17)9-24-20(27)15-3-7-29-8-4-15/h2,5-6,9,12,14-16H,3-4,7-8,10-11,13H2,1H3,(H,25,28)/t14-,16-/m1/s1",GWGNPYYVGANHRJ-GDBMZVCRSA-N
DB16194,1072-84-0,Imidazole-4-carboxylic acid,investigational,,,,,,,,ZINC000004720641,CHEMBL1773943,,,,14080,OC(=O)C1=CNC=N1,"InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)",NKWCGTOZTHZDHB-UHFFFAOYSA-N
DB16195,1238517-16-2,Indatuximab ravtansine,investigational,,,,,,,,,,,,,,,,
DB16196,1708137-44-3,INVAC-1,investigational,,,,,,,,,,,,,,,,
DB16197,1000874-23-6,Neuradiab,investigational,,,,,,,,,,,,,,,,
DB16198,1416376-17-4,IONIS-FGFR4Rx,investigational,,,,,,,,,,,,,,,,
DB16199,1637600-16-8,AKCEA-TTR-LRx,investigational,,,,,,,,,,,,,,,,
DB16200,1644670-37-0,Iptacopan,investigational,,,,,,JGQ,,ZINC000223246892,CHEMBL4594448,,IPTACOPAN,,90467622,CCO[C@H]1CCN(CC2=C(OC)C=C(C)C3=C2C=CN3)[C@@H](C1)C1=CC=C(C=C1)C(O)=O,"InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1",RENRQMCACQEWFC-UGKGYDQZSA-N
DB16201,250755-32-9,ISIS 104838,investigational,,,,,,,,,,,,,,,,
DB16202,1403787-62-1,IONIS-HBVRx,investigational,,,,,,,,,,,,,,,,
DB16203,78-78-4,Isopentane,investigational,,,,1368703,,,,ZINC000001709041,CHEMBL1797287,,,30362,6556,CCC(C)C,"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3",QWTDNUCVQCZILF-UHFFFAOYSA-N
DB16204,335267-09-9,"Isoquinoline, 7-(2-(3,6-dihydro-4-(3-(trifluoromethyl)phenyl)-1(2h)-pyridinyl)ethyl)-",investigational,,,,,,,,,CHEMBL4297498,,SSR150106XB,,9842945,FC(F)(F)C1=CC(=CC=C1)C1=CCN(CCC2=CC3=C(C=CN=C3)C=C2)CC1,"InChI=1S/C23H21F3N2/c24-23(25,26)22-3-1-2-20(15-22)19-8-12-28(13-9-19)11-7-17-4-5-18-6-10-27-16-21(18)14-17/h1-6,8,10,14-16H,7,9,11-13H2",ZXXHOPNSTZKWRI-UHFFFAOYSA-N
DB16205,252870-53-4,Ispronicline,investigational,,,,,,,,ZINC000003961864,CHEMBL188462,50170602,ISPRONICLINE,,9824145,CN[C@@H](C)C\C=C\C1=CC(OC(C)C)=CN=C1,"InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1",RPCVIAXDAUMJJP-PZBABLGHSA-N
DB16206,2226742-52-3,Itepekimab,investigational,,,,,,,,,,,,,,,,
DB16207,1116433-11-4,Itolizumab,investigational,"['29033818', '25945063', '28064543']",,,,,,,,,,,,,,,
DB16208,2128729-41-7,Ivuxolimab,investigational,,,,,,,,,,,,,,,,
DB16209,1800115-22-3,Janagliflozin,investigational,,,,,,,,,CHEMBL4107297,221893,,,,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC(CC2=CC=C(O[C@H]3C[C@@H]4C[C@@H]4C3)C=C2)=C(Cl)C=C1,"InChI=1S/C25H29ClO6/c26-20-6-3-14(25-24(30)23(29)22(28)21(12-27)32-25)8-17(20)7-13-1-4-18(5-2-13)31-19-10-15-9-16(15)11-19/h1-6,8,15-16,19,21-25,27-30H,7,9-12H2/t15-,16+,19-,21-,22-,23+,24-,25+/m1/s1",WDBIPGHUEJEKTC-CGTLGCROSA-N
DB16210,374675-21-5,Kisspeptin-10,investigational,,,,,,,,,,,,,,,,
DB16211,1041004-14-1,KAI-1678,investigational,,,,,,,,,,,,,,,,
DB16212,849776-05-2,Ladarixin,investigational,,,,,,,,,CHEMBL189475,50475370,LADARIXIN,,11372270,C[C@@H](C(=O)NS(C)(=O)=O)C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1,"InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1",DDLPYOCJHQSVSZ-SSDOTTSWSA-N
DB16213,209394-27-4,Ladostigil,investigational,,,,,,,,ZINC000027623417,CHEMBL255231,10750,TV-3326,177484,208907,CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1,"InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1",LHXOCOHMBFOVJS-OAHLLOKOSA-N
DB16214,1000308-25-7,Landipirdine,investigational,,,,,,,,,CHEMBL1082508,50416003,SYN120,,46220503,NC(=O)NC[C@@H]1CCCC2=CC(=CC=C12)S(=O)(=O)C1=CC(F)=CC=C1,"InChI=1S/C18H19FN2O3S/c19-14-5-2-6-15(10-14)25(23,24)16-7-8-17-12(9-16)3-1-4-13(17)11-21-18(20)22/h2,5-10,13H,1,3-4,11H2,(H3,20,21,22)/t13-/m0/s1",MTTHRRVVGMPYQG-ZDUSSCGKSA-N
DB16215,189059-71-0,Lapaquistat,investigational,,,,,,,,,CHEMBL341976,50118898,,,9960389,COC1=CC=CC([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)CO)C3=C2C=C(Cl)C=C3)=C1OC,"InChI=1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9,15,19,25,28,35H,10-14,16-18H2,1-4H3,(H,37,38)/t25-,28-/m1/s1",HDGUKVZPMPJBFK-LEAFIULHSA-N
DB16216,1903008-80-9,Lazertinib,investigational,,,,,,,,,CHEMBL4558324,,LAZERTINIB,,121269225,COC1=C(NC2=NC=CC(=N2)N2C=C(CN(C)C)C(=N2)C2=CC=CC=C2)C=C(NC(=O)C=C)C(=C1)N1CCOCC1,"InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)",RRMJMHOQSALEJJ-UHFFFAOYSA-N
DB16217,1354690-24-6,Leniolisib,investigational,,,,,,9NQ,,,CHEMBL3643413,118299,CDZ173,,57495353,CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CN=C(OC)C(=C1)C(F)(F)F,"InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1",MWKYMZXCGYXLPL-ZDUSSCGKSA-N
DB16218,1628256-23-4,Lerociclib,investigational,,,,,,,,,CHEMBL3904602,253941,G1T38 FREE BASE,,86269224,CC(C)N1CCN(CC1)C1=CC=C(NC2=NC=C3C=C4N(C3=N2)C2(CCCCC2)CNC4=O)N=C1,"InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)",YPJRHEKCFKOVRT-UHFFFAOYSA-N
DB16219,154357-42-3,Levonadifloxacin,investigational,,,,,,,,ZINC000000603195,CHEMBL190561,,,37908,9850038,C[C@H]1CCC2=C(N3CCC(O)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O,"InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)/t10-/m0/s1",JYJTVFIEFKZWCJ-JTQLQIEISA-N
DB16220,1934255-39-6,Lonapegsomatropin,"['approved', 'investigational']","['34272849', '22291494']",,,2569562,,,,,,,,,,,,
DB16221,211254-73-8,Lonaprisan,investigational,,,,,,,,,CHEMBL146032,50409115,LONAPRISAN,,6918548,[H][C@@]12CC[C@@](O)(C(F)(F)C(F)(F)F)[C@@]1(C)C[C@H](C1=CC=C(C=C1)C(C)=O)C1=C3CCC(=O)C=C3CC[C@@]21[H],"InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1",VHZPUDNSVGRVMB-RXDLHWJPSA-N
DB16222,1879918-31-6,Loncastuximab tesirine,"['approved', 'investigational']","['33211842', '32012214', '29298756', '31685491']",,,2540964,,,,,,,,,,,,
DB16223,6901-22-0,Lunasine,investigational,,,,,,,,ZINC000001596423,,,,,20054959,COC1=CC=CC2=C1[N+](C)=C1O[C@H](CC1=C2OC)C(C)C,"InChI=1S/C17H22NO3/c1-10(2)14-9-12-16(20-5)11-7-6-8-13(19-4)15(11)18(3)17(12)21-14/h6-8,10,14H,9H2,1-5H3/q+1/t14-/m1/s1",GUIBZZYABLMRRD-CQSZACIVSA-N
DB16224,1791411-57-8,Lutikizumab,investigational,,,,,,,,,,,,,,,,
DB16225,2169232-81-7,Magrolimab,investigational,,,,,,,,,,,,,,,,
DB16226,716313-53-0,Maralixibat,"['approved', 'investigational']","['30186169', '30288474']",,,2571074,,,,,CHEMBL363392,50140282,MARALIXIBAT,,9831643,CCCCC1(CCCC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C1=CC=C(OCC2=CC=C(C[N+]34CCN(CC3)CC4)C=C2)C=C1)N(C)C,"InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1",STPKWKPURVSAJF-LJEWAXOPSA-N
DB16227,136564-68-6,Masilukast,investigational,,,,,,,,ZINC000003925925,CHEMBL442263,50041349,,,204056,COC1=CC(=CC=C1CC1=CN(C)C2=C1C=C(C=C2)C(=O)NC[C@H](C)CC(F)(F)F)C(=O)NS(=O)(=O)C1=CC=CC=C1C,"InChI=1S/C31H32F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18-19H,13,16-17H2,1-4H3,(H,35,38)(H,36,39)/t19-/m1/s1",ULMFXAMQUGLVGA-LJQANCHMSA-N
DB16228,1776112-90-3,Mavelertinib,investigational,,,,,,,,ZINC000231225813,CHEMBL3989970,50450870,,,91668194,COC1=NN(C)C=C1NC1=NC(=NC2=C1N=CN2C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C,"InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1",JYIUNVOCEFIUIU-GHMZBOCLSA-N
DB16229,1403894-72-3,Mesdopetam,investigational,,,,,,,,,CHEMBL4594447,,IRL-790,,70980485,CCCNCCOC1=CC(=CC(F)=C1)S(C)(=O)=O,"InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3",OSBPYFBXSLJHCR-UHFFFAOYSA-N
DB16230,1270138-40-3,NSI-189,investigational,,,,,,,,ZINC000098023167,CHEMBL4302505,,NSI-189 PHOSPHATE,,50922681,CC(C)CCNC1=NC=CC=C1C(=O)N1CCN(CC2=CC=CC=C2)CC1,"InChI=1S/C22H30N4O/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24)",DYTOQURYRYYNOR-UHFFFAOYSA-N
DB16231,28730-17-8,Methfuroxam,investigational,,,,,,,,ZINC000000155059,CHEMBL1395509,,,142825,34313,CC1=C(C)C(C(=O)NC2=CC=CC=C2)=C(C)O1,"InChI=1S/C14H15NO2/c1-9-10(2)17-11(3)13(9)14(16)15-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,15,16)",ZWJNEYVWPYIKMB-UHFFFAOYSA-N
DB16232,802539-81-7,Milciclib Maleate,investigational,,,,,,P48,,ZINC000053119602,CHEMBL564829,31545,PHA-848125AC,,16718576,CNC(=O)C1=NN(C)C2=C1C(C)(C)CC1=C2N=C(NC2=CC=C(C=C2)N2CCN(C)CC2)N=C1,"InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)",RXZMYLDMFYNEIM-UHFFFAOYSA-N
DB16233,1802425-99-5,Milvexian,investigational,,,,,,YXG,,,CHEMBL4112929,247411,JNJ-70033093,,118277544,C[C@@H]1CCC[C@H](N2C=NC(=CC2=O)C2=CC(Cl)=CC=C2N2C=C(Cl)N=N2)C2=CC(=CC=N2)C2=C(NC1=O)C=NN2C(F)F,"InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1",FSWFYCYPTDLKON-CMJOXMDJSA-N
DB16234,1400902-13-7,Miricorilant,investigational,,,,,,,,ZINC000101598460,CHEMBL4297602,,MIRICORILANT,,,FC(F)(F)C1=CC(CC2=C(NC(=O)NC2=O)[C@H]2CC[C@@H](CC2)C2=CC=CC=C2)=CC=C1,"InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18-",GVVUZBSCYAVFTI-IYARVYRRSA-N
DB16235,1453084-36-0,Mirvetuximab,investigational,,,,,,,,,,,,,,,,
DB16236,1260075-17-9,Mitapivat,investigational,,,,,,,,ZINC000140430983,CHEMBL4299940,,PYRUKYND,,59634741,O=C(N1CCN(CC2CC2)CC1)C1=CC=C(NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C=C1,"InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2",XAYGBKHKBBXDAK-UHFFFAOYSA-N
DB16237,122957-06-6,Modipafant,investigational,,,,,,,,ZINC000028771591,CHEMBL2105829,,MODIPAFANT,,3047770,CCOC(=O)C1=C(NC(C)=C([C@H]1C1=CC=CC=C1Cl)C(=O)NC1=NC=CC=C1)C1=CC=C(C=C1)N1C(C)=NC2=C1C=CN=C2,"InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,30,38H,4H2,1-3H3,(H,37,40,42)/t30-/m1/s1",ODRYSCQFUGFOSU-SSEXGKCCSA-N
DB16238,736992-12-4,Modithromycin,investigational,,,,,,,,ZINC000169360219,CHEMBL263886,,EDP-420,,,[H][C@@]1(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@@H]2OC\C(CO[C@]1(C)C[C@@H](C)\C(=N/C(C)=O)[C@@H]2C)=N/OCC1=CN=C(C=C1)N1C=CC=N1,"InChI=1S/C43H64N6O11/c1-12-33-43(9,54)39-26(4)35(46-29(7)50)24(2)19-42(8,56-23-31(22-55-39)47-57-21-30-14-15-34(44-20-30)49-17-13-16-45-49)38(27(5)36(51)28(6)40(53)59-33)60-41-37(52)32(48(10)11)18-25(3)58-41/h13-17,20,24-28,32-33,37-39,41,52,54H,12,18-19,21-23H2,1-11H3/b46-35+,47-31+/t24-,25-,26+,27+,28-,32+,33-,37-,38-,39-,41+,42-,43-/m1/s1",WLGSYOKBEDVHQB-XSKCQLPHSA-N
DB16239,1260907-17-2,Molibresib,investigational,,,,,,EAM,,ZINC000058655571,CHEMBL1232461,50365463,I-BET 762,95082,46943432,CCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=CC(OC)=CC=C2N2C(C)=NN=C12,"InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1",AAAQFGUYHFJNHI-SFHVURJKSA-N
DB16240,1286279-29-5,BMS-813160,investigational,,,,,,,,,CHEMBL4594419,,BMS 813160,,51039119,CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC2=NC=NC3=CC(=NN23)C(C)(C)C)C1=O)NC(C)(C)C,"InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1",CMVHFGNTABZQJU-HCXYKTFWSA-N
DB16241,1838651-58-3,ACT-709478,investigational,,,,,,,,,CHEMBL4217292,50452245,ACT-709478,194340,118560618,FC(F)(F)C1(CC1)C1=CC=C(CC(=O)NC2=NN(CC3=NC=C(C=C3)C#N)C=C2)C=C1,"InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)",LSYANGLAZUZYFX-UHFFFAOYSA-N
DB16242,340019-69-4,CC-11050,investigational,,,,,,,,ZINC000034209670,CHEMBL4297460,,CC-11050,,10322579,CCOC1=C(OC)C=CC(=C1)[C@@H](CS(C)(=O)=O)N1CC2=CC=CC(NC(=O)C3CC3)=C2C1=O,"InChI=1S/C24H28N2O6S/c1-4-32-21-12-16(10-11-20(21)31-2)19(14-33(3,29)30)26-13-17-6-5-7-18(22(17)24(26)28)25-23(27)15-8-9-15/h5-7,10-12,15,19H,4,8-9,13-14H2,1-3H3,(H,25,27)/t19-/m1/s1",QDZOBXFRIVOQBR-LJQANCHMSA-N
DB16243,1494675-86-3,TBA-7371,investigational,,,,,,,,ZINC000103248024,CHEMBL3109802,50019654,TBA-7371,,72792692,COC1=C(C)C(CN2C=C(C(=O)NCCO)C3=NC=C(C)C=C23)=NC=N1,"InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)",VDRYGTNDKXIPSK-UHFFFAOYSA-N
DB16244,606101-58-0,MK-0773,investigational,,,,,,,,ZINC000034272162,CHEMBL3221237,,,,11950726,[H][C@@]12CC[C@H](C(=O)NCC3=NC4=C(N3)C=CC=N4)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C(F)=C[C@]12C,"InChI=1S/C27H34FN5O2/c1-26-11-10-17-15(6-9-21-27(17,2)13-19(28)25(35)33(21)3)16(26)7-8-18(26)24(34)30-14-22-31-20-5-4-12-29-23(20)32-22/h4-5,12-13,15-18,21H,6-11,14H2,1-3H3,(H,30,34)(H,29,31,32)/t15-,16-,17-,18+,21+,26-,27+/m0/s1",GBEUKTWTUSPHEE-JWJWXJQQSA-N
DB16245,183623-03-2,Human Lactoferrin Peptide hLF1-11,investigational,,,,,,,,,,,,,,,,
DB16246,1691240-78-4,Nafithromycin,investigational,,,,,,,,,,,,,,[H][C@]12[C@H](\C(N)=N\O[C@@H](C)C3=NN=C(S3)C3=CC=CC=N3)C(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@@H]2C)OC,"InChI=1S/C42H62N6O11S/c1-13-28-42(9)30(29(39(53)58-42)35(43)47-59-25(7)36-45-46-37(60-36)26-16-14-15-17-44-26)22(4)31(49)20(2)19-41(8,54-12)34(23(5)32(50)24(6)38(52)56-28)57-40-33(51)27(48(10)11)18-21(3)55-40/h14-17,20-25,27-30,33-34,40,51H,13,18-19H2,1-12H3,(H2,43,47)/t20-,21-,22-,23+,24-,25+,27+,28?,29-,30+,33-,34-,40+,41-,42-/m1/s1",RLFCSBSRGRJFRO-BRUOOUDCSA-N
DB16247,2014384-91-7,Nangibotide,investigational,"['32468087', '29885068']",,,,,,,,,,,,,,,
DB16248,,Nanoparticle Epirubicin,investigational,,,,,,,,,,,,,,,,
DB16249,173531-57-2,Naphthoquine,investigational,,,,1721293,,,,ZINC000033991990,CHEMBL4303411,,,,9851775,CC(C)(C)NCC1=CC(NC2=CC=NC3=CC(Cl)=CC=C23)=C2CCCCC2=C1O,"InChI=1S/C24H28ClN3O/c1-24(2,3)27-14-15-12-22(17-6-4-5-7-18(17)23(15)29)28-20-10-11-26-21-13-16(25)8-9-19(20)21/h8-13,27,29H,4-7,14H2,1-3H3,(H,26,28)",VEVMYTDOWUQLGI-UHFFFAOYSA-N
DB16250,1508250-71-2,Nazartinib,investigational,,,,,,,,ZINC000210610738,CHEMBL3787344,50160870,NAZARTINIB,,72703790,CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)N1C(NC(=O)C2=CC=NC(C)=C2)=NC2=C1C(Cl)=CC=C2,"InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1",IOMMMLWIABWRKL-WUTDNEBXSA-N
DB16251,1415139-34-2,Necuparanib,investigational,,,,,,,,,,,,,,,,
DB16252,1637542-33-6,Nedisertib,investigational,,,,,,,,,CHEMBL4297629,315715,PEPOSERTIB,,86292849,COC1=NN=C(C=C1)[C@@H](O)C1=C(Cl)C=C(F)C(=C1)C1=NC=NC2=C1C=CC(=C2)N1CCOCC1,"InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1",MOWXJLUYGFNTAL-DEOSSOPVSA-N
DB16253,1254036-71-9,Nemiralisib,investigational,,,,,,VVX,,ZINC000095564436,CHEMBL2216859,50004529,NEMIRALISIB,,49784002,CC(C)N1CCN(CC2=CN=C(O2)C2=CC(=CC3=C2C=NN3)C2=CC=CC3=C2C=CN3)CC1,"InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)",MCIDWGZGWVSZMK-UHFFFAOYSA-N
DB16254,133825-80-6,Nevanimibe,investigational,,,,,,ROV,,,CHEMBL46423,50041735,ATR-101,,131679,CC(C)C1=CC=CC(C(C)C)=C1NC(=O)NCC1(CCCC1)C1=CC=C(C=C1)N(C)C,"InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)",PKKNCEXEVUFFFI-UHFFFAOYSA-N
DB16255,1773489-72-7,Nidufexor,investigational,,,,,,,,ZINC000584641402,CHEMBL4297626,50527021,NIDUFEXOR,,118063735,CN1N=C(C(=O)N(CC2=CC=CC=C2)CC2=CC=C(C=C2)C(O)=O)C2=C1C1=C(OC2)C=CC(Cl)=C1,"InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)",JYTIXGYXBIBOMN-UHFFFAOYSA-N
DB16256,1394820-69-9,Ningetinib,investigational,,,,,,,,ZINC000143426755,CHEMBL3984441,180270,NINGETINIB,,60165029,CN1N(C(=O)C(C(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CC(OCC(C)(C)O)=C4)C=C2)=C1C)C1=CC=CC=C1,"InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)",VQYYQSZNRVQLIS-UHFFFAOYSA-N
DB16257,2211985-36-1,Nipocalimab,investigational,,,,,,,,,,,,,,,,
DB16258,1989556-22-0,Nirsevimab,investigational,,,,,,,,,,,,,,,,
DB16259,1477482-19-1,Nolasiban,investigational,,,,,,,,ZINC000064491763,CHEMBL1254025,50326721,NOLASIBAN,,52947354,CO\N=C1\C[C@@H](CO)N(C1)C(=O)C1=CC=C(C=C1)C1=C(C)C=CC=C1,"InChI=1S/C20H22N2O3/c1-14-5-3-4-6-19(14)15-7-9-16(10-8-15)20(24)22-12-17(21-25-2)11-18(22)13-23/h3-10,18,23H,11-13H2,1-2H3/b21-17-/t18-/m0/s1",OLUJSZLBWZWGJT-HGBKYHTQSA-N
DB16260,99697-24-2,norUrsodeoxycholic acid,investigational,,,,,,,,ZINC000031520504,CHEMBL1254990,50334958,NORUCHOLIC ACID,,192254,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(O)=O,"InChI=1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m1/s1",QYYDXDSPYPOWRO-JHMCBHKWSA-N
DB16261,501692-44-0,Odevixibat,"['approved', 'investigational']","['32601135', '30186169', '19133130', '26527417']",,,2563966,,,,,CHEMBL4297588,77040,ODEVIXIBAT,,10153627,CCCCC1(CCCC)CN(C2=CC=CC=C2)C2=CC(SC)=C(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)C3=CC=C(O)C=C3)C=C2S(=O)(=O)N1,"InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1",XULSCZPZVQIMFM-IPZQJPLYSA-N
DB16262,1897384-89-2,Olacaftor,investigational,,,,,,,,,CHEMBL4297649,,VX-440,,121250885,CC(C)COC1=CC(F)=CC(=C1)C1=CC=C(C(=O)NS(=O)(=O)C2=CC=CC=C2)C(=N1)N1C[C@@H](C)CC1(C)C,"InChI=1S/C29H34FN3O4S/c1-19(2)18-37-23-14-21(13-22(30)15-23)26-12-11-25(27(31-26)33-17-20(3)16-29(33,4)5)28(34)32-38(35,36)24-9-7-6-8-10-24/h6-15,19-20H,16-18H2,1-5H3,(H,32,34)/t20-/m0/s1",NHOUNZMCSIHKHJ-FQEVSTJZSA-N
DB16263,1380359-84-1,Olaparib-bodipy FL,investigational,,,,,,,,,,,,,70697686,CC1=CC(C)=C2C=C3C=CC(CCC(=O)N4CCN(CC4)C(=O)C4=C(F)C=CC(CC5=NNC(=O)C6=CC=CC=C56)=C4)=[N+]3[B-](F)(F)N12,"InChI=1S/C34H32BF3N6O3/c1-21-17-22(2)43-31(21)20-25-9-8-24(44(25)35(43,37)38)10-12-32(45)41-13-15-42(16-14-41)34(47)28-18-23(7-11-29(28)36)19-30-26-5-3-4-6-27(26)33(46)40-39-30/h3-9,11,17-18,20H,10,12-16,19H2,1-2H3,(H,40,46)",IGUTVNUEFKPBGK-UHFFFAOYSA-N
DB16264,2096510-84-6,Olenasufligene relduparvovec,investigational,,,,,,,,,,,,,,,,
DB16265,2095504-49-5,Olinvacimab,investigational,,,,,,,,,,,,,,,,
DB16266,1316755-16-4,Olodanrigan,investigational,,,,,,,,ZINC000001483494,CHEMBL34124,50049182,EMA-401,,9937291,COC1=CC=C2CN([C@@H](CC2=C1OCC1=CC=CC=C1)C(O)=O)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1",GHBCIXGRCZIPNQ-MHZLTWQESA-N
DB16267,1887014-12-1,Olutasidenib,investigational,,,,,,PWV,,,CHEMBL4297610,50506474,OLUTASIDENIB,,118955396,C[C@H](NC1=CC=C(C#N)N(C)C1=O)C1=CC2=C(NC1=O)C=CC(Cl)=C2,"InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1",NEQYWYXGTJDAKR-JTQLQIEISA-N
DB16268,1473430-36-2,Olvimulogene nanivacirepvec,investigational,,,,,,,,,,,,,,,,
DB16269,1957239-88-1,Onfekafusp alfa,investigational,,,,,,,,,,,,,,,,
DB16270,946415-62-9,Ontuxizumab,investigational,,,,,,,,,,,,,,,,
DB16271,1441000-45-8,Opiranserin,investigational,,,,,,,,,CHEMBL4228903,50459963,,,71566778,CCCCOC1=C(OC)C=C(C=C1OC)C(=O)NCC1(CCOCC1)N(C)C,"InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)",JQUVQWMHZSYCRQ-UHFFFAOYSA-N
DB16272,1655504-04-3,Orelabrutinib,investigational,,,,,,,,,CHEMBL4650321,389631,ICP-022,,91667513,NC(=O)C1=CC=C(N=C1C1=CC=C(OC2=CC=CC=C2)C=C1)C1CCN(CC1)C(=O)C=C,"InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)",MZPVEMOYADUARK-UHFFFAOYSA-N
DB16273,526-18-1,Osalmid,investigational,,,,,,,2000,ZINC000000001856,CHEMBL389507,,OSALMID,31938,4602,OC1=CC=C(NC(=O)C2=CC=CC=C2O)C=C1,"InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)",LGCMKPRGGJRYGM-UHFFFAOYSA-N
DB16274,1189767-28-9,Osoresnontrine,investigational,,,,,,,,,CHEMBL4206492,50457396,BI 409306,,135908617,O=C1NC(CC2=NC=CC=C2)=NC2=C1C=NN2C1CCOCC1,"InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)",BZTIJCSHNVZMES-UHFFFAOYSA-N
DB16275,1372645-37-8,Otlertuzumab,investigational,,,,,,,,,,,,,,,,
DB16276,16837-52-8,Oxymatrine,investigational,,,,,,,,ZINC000238809610,,,,,24864132,[H][C@]12CCC[N@@+]3([O-])CCC[C@]([H])([C@@]4([H])CCCC(=O)N4C1)[C@]23[H],"InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17+/m0/s1",XVPBINOPNYFXID-JARXUMMXSA-N
DB16277,2172870-89-0,Paltusotine,investigational,,,,,,,,,,405588,,,134168328,NC1CCN(CC1)C1=C(C=NC2=CC=C(C=C12)C1=C(O)C(=CC=C1)C#N)C1=CC(F)=CC(F)=C1,"InChI=1S/C27H22F2N4O/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33/h1-5,10-13,15,21,34H,6-9,31H2",GHILNKWBALQPDP-UHFFFAOYSA-N
DB16278,172867-62-8,Parathyroid Hormone-Related Protein 1-36,investigational,,,,,,,,,,,,,,,,
DB16279,1914998-56-3,Pecavaptan,investigational,,,,,,,,,CHEMBL4594444,,BAY-1753011,,121301508,C[C@H](O)C1=NC(CN2N=C(N(C[C@H](O)C(F)(F)F)C2=O)C2=CC=C(Cl)C=C2)=NN1C1=CC(Cl)=CC=C1,"InChI=1S/C22H19Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,12,17,34-35H,10-11H2,1H3/t12-,17-/m0/s1",AZXOTZCWQDJCLY-SJCJKPOMSA-N
DB16280,1233363-33-1,Pegcantratinib,investigational,,,,,,,,,,,,,,,,
DB16281,1448590-54-2,Pegcrisantaspase,investigational,,,,,,,,,,,,,,,,
DB16282,1433787-75-7,Pegylated Recombinant Human Arginase I,investigational,,,,,,,,,,,,,,,,
DB16283,1350661-05-0,Pegylated synthetic human c-peptide,investigational,,,,,,,,,,,,,,,,
DB16284,1637637-70-7,Pelacarsen,investigational,,,,,,,,,,,,,,,,
DB16285,1619923-36-2,Pelcitoclax,investigational,,,,,,,,,,,,,,CC(C)N1C(C)=C(C(=C1C1=CC=C(Cl)C=C1)C1=CC(=CC(F)=C1)N1CCN(CC1)C1=CC=C(NS(=O)(=O)C2=CC=C(N[C@H](CCN3CCC(CC3)C(=O)OCCCP(O)(O)=O)CSC3=CC=CC=C3)C(=C2)S(=O)(=O)C(F)(F)F)C=C1)S(C)(=O)=O,"InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1",QIOCQCYXBYUYLH-YACUFSJGSA-N
DB16286,,Pemlimogene merolisbac,investigational,,,,,,,,,,,,,,,,
DB16287,87827-02-9,"Penequinine, Penehyclidine",investigational,,,,,,,,,CHEMBL4594416,,PENEHYCLIDINE,,137356,OC(COC1CN2CCC1CC2)(C1CCCC1)C1=CC=CC=C1,"InChI=1S/C20H29NO2/c22-20(18-8-4-5-9-18,17-6-2-1-3-7-17)15-23-19-14-21-12-10-16(19)11-13-21/h1-3,6-7,16,18-19,22H,4-5,8-15H2",GTKRIWMDLNOSLI-UHFFFAOYSA-N
DB16288,23180-57-6,Peoniflorin,investigational,,,,2288155,,,,ZINC000008234328,CHEMBL4303209,,,7889,442534,[H][C@@]12C[C@@]3(O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)C1=CC=CC=C1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1,"InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1",YKRGDOXKVOZESV-WRJNSLSBSA-N
DB16289,160387-12-2,B27PD,investigational,,,,,,,,,,,,,,,,
DB16290,106362-34-9,DAPTA,investigational,,,,,,,,ZINC000169289402,CHEMBL181276,,,,184644,C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O,"InChI=1S/C35H56N10O15/c1-13(36)29(54)41-22(12-46)32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1",AKWRNBWMGFUAMF-ZESMOPTKSA-N
DB16291,81485-25-8,Peretinoin,investigational,,,,,,,,ZINC000030691356,CHEMBL4303228,,PERETINOIN,,6437836,CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C(O)=O,"InChI=1S/C20H30O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h8-9,11,13-15H,6-7,10,12H2,1-5H3,(H,21,22)/b14-8+,17-11+,18-13+,19-15+",UUBHZHZSIKRVIV-KCXSXWJSSA-N
DB16292,306-94-5,Perfluorodecalin,investigational,,,,2462501,,,2103,ZINC000006827619,CHEMBL1371129,,FLUOSOL DA PERFLUORODECALIN,38848,9386,FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,"InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16",UWEYRJFJVCLAGH-UHFFFAOYSA-N
DB16293,147664-63-9,Pexiganan,investigational,,,,,,,,,CHEMBL1275802,,PEXIGANAN,,16132253,CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O,"InChI=1S/C122H210N32O22/c1-13-77(9)102(152-98(155)71-132)120(174)135-73-100(157)139-86(50-26-35-59-125)110(164)150-96(69-82-44-20-16-21-45-82)118(172)148-93(66-74(3)4)116(170)145-90(54-30-39-63-129)113(167)142-87(51-27-36-60-126)109(163)137-79(11)105(159)141-88(52-28-37-61-127)112(166)143-91(55-31-40-64-130)114(168)149-95(68-81-42-18-15-19-43-81)107(161)134-72-99(156)138-85(49-25-34-58-124)108(162)136-80(12)106(160)147-97(70-83-46-22-17-23-47-83)119(173)153-101(76(7)8)121(175)146-92(56-32-41-65-131)115(169)154-103(78(10)14-2)122(176)151-94(67-75(5)6)117(171)144-89(53-29-38-62-128)111(165)140-84(104(133)158)48-24-33-57-123/h15-23,42-47,74-80,84-97,101-103H,13-14,24-41,48-73,123-132H2,1-12H3,(H2,133,158)(H,134,161)(H,135,174)(H,136,162)(H,137,163)(H,138,156)(H,139,157)(H,140,165)(H,141,159)(H,142,167)(H,143,166)(H,144,171)(H,145,170)(H,146,175)(H,147,160)(H,148,172)(H,149,168)(H,150,164)(H,151,176)(H,152,155)(H,153,173)(H,154,169)/t77-,78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1",KGZGFSNZWHMDGZ-KAYYGGFYSA-N
DB16294,945614-12-0,Pexmetinib,investigational,,,,,,,,ZINC000041747181,CHEMBL3991932,,PEXMETINIB,,24765037,CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NCC1=CC(F)=CC=C1OC1=CC2=C(C=C1)N(CCO)N=C2)C(C)(C)C,"InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)",LNMRSSIMGCDUTP-UHFFFAOYSA-N
DB16295,1637741-58-2,HSK-3486,investigational,,,,,,,,,CHEMBL4094894,,HSK-3486,,86301664,CC(C)C1=CC=CC([C@H](C)C2CC2)=C1O,"InChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1",BMEARIQHWSVDBS-SNVBAGLBSA-N
DB16296,1693758-51-8,IPI-549,investigational,,,,,,V7Y,,ZINC000584906867,CHEMBL3984425,50192880,EGANELISIB,,91933883,C[C@H](NC(=O)C1=C2N=CC=CN2N=C1N)C1=CC2=C(C(=O)N1C1=CC=CC=C1)C(=CC=C2)C#CC1=CN(C)N=C1,"InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1",XUMALORDVCFWKV-IBGZPJMESA-N
DB16297,1565797-57-0,PMPBB3 F-18,investigational,,,,,,,,,,,,,145722633,CNC1=CC=C(\C=C\C=C\C2=NC3=C(S2)C=C(OCC(O)C[18F])C=C3)C=N1,"InChI=1S/C20H20FN3O2S/c1-22-19-9-6-14(12-23-19)4-2-3-5-20-24-17-8-7-16(10-18(17)27-20)26-13-15(25)11-21/h2-10,12,15,25H,11,13H2,1H3,(H,22,23)/b4-2+,5-3+/i21-1",XXNYLYXTRMQXJS-CDLXMPELSA-N
DB16298,90409-78-2,Polifeprosan 20,investigational,,,,1426339,,,,,,,,,,,,
DB16299,1353552-97-2,Poseltinib,investigational,,,,,,,,,CHEMBL4163691,50369724,POSELTINIB,,56644522,CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3OC=CC3=N2)C=C1,"InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)",LZMJNVRJMFMYQS-UHFFFAOYSA-N
DB16300,1628730-49-3,Praliciguat,investigational,,,,,,,,,CHEMBL4297214,321618,IW-1973,142431,86269973,OC(CNC1=NC(=NC=C1F)C1=NN(CC2=C(F)C=CC=C2)C(=C1)C1=NOC=C1)(C(F)(F)F)C(F)(F)F,"InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32)",CYSJNTQNMDWAJV-UHFFFAOYSA-N
DB16301,485818-40-4,Preimplantation factor,investigational,,,,,,,,,,,,,134687212,CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O,"InChI=1S/C67H115N21O23S/c1-7-34(4)52(86-55(99)37(17-12-23-74-67(72)73)78-62(106)51(33(2)3)85-54(98)36(70)20-26-112-6)63(107)80-39(16-9-11-22-69)65(109)87-24-13-18-45(87)60(104)75-30-48(92)77-43(31-89)58(102)76-35(5)53(97)81-40(27-47(71)91)56(100)79-38(15-8-10-21-68)64(108)88-25-14-19-46(88)61(105)84-44(32-90)59(103)82-41(28-49(93)94)57(101)83-42(66(110)111)29-50(95)96/h33-46,51-52,89-90H,7-32,68-70H2,1-6H3,(H2,71,91)(H,75,104)(H,76,102)(H,77,92)(H,78,106)(H,79,100)(H,80,107)(H,81,97)(H,82,103)(H,83,101)(H,84,105)(H,85,98)(H,86,99)(H,93,94)(H,95,96)(H,110,111)(H4,72,73,74)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1",GLXYOFXNKBTMQL-YKCHQESGSA-N
DB16302,1000036-77-0,BP-14979,investigational,,,,,,,,,CHEMBL4297484,,,,,COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=CC=CC(=C2)C#N)CC1,"InChI=1S/C23H34N4O2/c1-29-16-10-23(28)25-21-7-5-19(6-8-21)9-11-26-12-14-27(15-13-26)22-4-2-3-20(17-22)18-24/h2-4,17,19,21H,5-16H2,1H3,(H,25,28)/t19-,21-",PLMAPPWZOQMTBI-XUTJKUGGSA-N
DB16303,1366302-52-4,Gallium-68 PSMA,investigational,,,,,,,,ZINC000203341463,CHEMBL3578202,50089451,GOZETOTIDE,,60143283,OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC=C(O)C(CN(CCN(CC(O)=O)CC2=CC(CCC(O)=O)=CC=C2O)CC(O)=O)=C1)C(O)=O)C(O)=O,"InChI=1S/C44H62N6O17/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67)/t32-,33-/m0/s1",QJUIUFGOTBRHKP-LQJZCPKCSA-N
DB16304,1358751-06-0,TAK-653,investigational,,,,,,0YK,,,CHEMBL4594403,,TAK-653,,56655833,CC1=CN2CCS(=O)(=O)N=C2C(=N1)C1=CC=C(OC2CCCCC2)C=C1,"InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3",PXJBHEHFVQVDDS-UHFFFAOYSA-N
DB16305,1071992-99-8,DEBIO-1143,investigational,,,,,,,,ZINC000043208643,CHEMBL2158051,50393505,DEBIO 1143,,25022340,[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CC(C)C)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1",LSXUTRRVVSPWDZ-MKKUMYSQSA-N
DB16306,658-48-0,Racemetyrosine,investigational,,,,,,,,,CHEMBL1330596,,SM-88 COMPONENT RACEMETYROSINE,,3125,CC(N)(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)",NHTGHBARYWONDQ-UHFFFAOYSA-N
DB16307,1470038-56-2,A-dmDT390-bisFv(UCHT1),investigational,,,,,,,,,,,,,,,,
DB16308,199463-33-7,Revaprazan,investigational,,,,,,,3525,,CHEMBL1618279,,REVAPRAZAN,135529,204104,CC1N(CCC2=C1C=CC=C2)C1=NC(NC2=CC=C(F)C=C2)=NC(C)=C1C,"InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)",LECZXZOBEZITCL-UHFFFAOYSA-N
DB16309,1438322-82-7,Revusiran,investigational,,,,,,,,,,,,,,,,
DB16310,1396640-59-7,Rezafungin,investigational,,,,,,,,,,,,,92135635,[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@H](NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)C(NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)OCC[N+](C)(C)C)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O,"InChI=1S/C63H84N8O17/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84)/p+1/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51?,52-,53-,54-,55-,61+/m0/s1",LNFCWEXGZIEGJW-AMIBTTDLSA-O
DB16311,1792207-66-9,Ribaxamase,investigational,,,,,,,,,,,,,,,,
DB16312,922717-97-3,TNP-2092,investigational,,,,,,,,,,,,,,CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C(\C=N\N1CCC(CC1)N(C)C1(CC1)[C@@H]1CCN(C1)C1=C(C)C3=C(C=C(C(O)=O)C(=O)N3C=C1F)C1CC1)=C2O,"InChI=1S/C65H81FN6O15/c1-31-13-12-14-32(2)61(80)68-50-44(56(77)47-48(57(50)78)55(76)37(7)59-49(47)60(79)64(9,87-59)85-26-20-46(84-11)33(3)58(86-38(8)73)36(6)54(75)35(5)53(31)74)28-67-71-24-18-41(19-25-71)69(10)65(21-22-65)40-17-23-70(29-40)52-34(4)51-42(39-15-16-39)27-43(63(82)83)62(81)72(51)30-45(52)66/h12-14,20,26-28,30-31,33,35-36,39-41,46,53-54,58,74-78H,15-19,21-25,29H2,1-11H3,(H,68,80)(H,82,83)/b13-12-,26-20-,32-14?,67-28+/t31-,33-,35+,36-,40+,46-,53-,54+,58+,64-/m0/s1",OPZFMLLAJBIKAN-JNEXSVMGSA-N
DB16313,1569263-06-4,Rinucumab,investigational,,,,,,,,,,,,,,,,
DB16314,2249927-04-4,Ripertamab,investigational,,,,,,,,,,,,,,,,
DB16315,256382-08-8,Rivenprost,investigational,,,,,,,,ZINC000003940680,CHEMBL303960,50318871,RIVENPROST,168543,9803828,COCC1=CC=CC(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)=C1,"InChI=1S/C24H34O6S/c1-29-16-18-6-3-5-17(13-18)14-19(25)8-9-20-21(23(27)15-22(20)26)10-12-31-11-4-7-24(28)30-2/h3,5-6,8-9,13,19-22,25-26H,4,7,10-12,14-16H2,1-2H3/b9-8+/t19-,20-,21-,22-/m1/s1",FBQUXLIJKPWCAO-AZIFJQEOSA-N
DB16316,2253753-17-0,Rocakinogene sifuplasmid,investigational,,,,,,,,,,,,,,,,
DB16317,1174008-79-7,Roledumab,investigational,,,,,,,,,,,,,,,,
DB16318,1399584-78-1,Romilkimab,investigational,,,,,,,,,,,,,,,,
DB16319,1474110-21-8,GSK-2981278,investigational,,,,,,,,ZINC000142250256,CHEMBL4225088,50461084,GSK2981278,,89875987,CCC1=CC=C(C=C1)N(CC(C)C)S(=O)(=O)C1=CC(CO)=C(OCC2CCOCC2)C=C1,"InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3",LZLBRISQTJVZNP-UHFFFAOYSA-N
DB16320,1454288-88-0,Rovazolac,investigational,,,,,,,,,CHEMBL4297218,,ALX-101,,89792952,CCOC(=O)CN1N=C(C=C1C1=CC=C(C=C1)C1=CC(=CC=C1)S(C)(=O)=O)C(F)(F)F,"InChI=1S/C21H19F3N2O4S/c1-3-30-20(27)13-26-18(12-19(25-26)21(22,23)24)15-9-7-14(8-10-15)16-5-4-6-17(11-16)31(2,28)29/h4-12H,3,13H2,1-2H3",ZUMNJDGBYXHASJ-UHFFFAOYSA-N
DB16321,885496-53-7,S-777469,investigational,,,,,,,,ZINC000084634040,CHEMBL2019090,50380892,S-777469,,57331749,CCC1=C(C)C=C(C(=O)NC2(CCCCC2)C(O)=O)C(=O)N1CC1=CC=C(F)C=C1,"InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)",JIYXOJFSPOFZPY-UHFFFAOYSA-N
DB16322,2252262-24-9,Sabatolimab,investigational,,,,,,,,,,,,,,,,
DB16323,1039726-31-2,Satoreotide tetraxetan,investigational,,,,,,,,,,,,,,[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CC=C(NC(N)=O)C=C2)NC(=O)[C@H](CC2=CC=C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C=C2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(N)=O)NC(=O)[C@H](CC1=CC=C(Cl)C=C1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O,"InChI=1S/C74H98ClN19O21S2/c1-41(95)63-72(113)87-57(70(111)83-51(64(77)105)30-45-11-19-49(96)20-12-45)40-117-116-39-56(86-67(108)52(31-42-5-13-46(75)14-6-42)81-59(98)35-91-22-24-92(36-60(99)100)26-28-94(38-62(103)104)29-27-93(25-23-91)37-61(101)102)71(112)85-54(33-43-7-15-47(16-8-43)79-66(107)55-34-58(97)89-74(115)88-55)69(110)84-53(32-44-9-17-48(18-10-44)80-73(78)114)68(109)82-50(65(106)90-63)4-2-3-21-76/h5-20,41,50-57,63,95-96H,2-4,21-40,76H2,1H3,(H2,77,105)(H,79,107)(H,81,98)(H,82,109)(H,83,111)(H,84,110)(H,85,112)(H,86,108)(H,87,113)(H,90,106)(H,99,100)(H,101,102)(H,103,104)(H3,78,80,114)(H2,88,89,97,115)/t41-,50+,51-,52+,53?,54+,55+,56?,57?,63+/m1/s1",ZJZDXGQUNVNYQP-PBJKGYOGSA-N
DB16324,2004677-13-6,Selgantolimod,investigational,,,,,,,,,CHEMBL4297614,,,,122585383,CCCC[C@@](C)(CO)NC1=NC(N)=NC2=C1N=CC(F)=C2,"InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m0/s1",HTCJUBZBSJQWBW-AWEZNQCLSA-N
DB16325,110299-05-3,Selodenoson,investigational,,,,,,,,,CHEMBL2107371,,DTI-0009,,3082555,CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NC1CCCC1,"InChI=1S/C17H24N6O4/c1-2-18-16(26)13-11(24)12(25)17(27-13)23-8-21-10-14(19-7-20-15(10)23)22-9-5-3-4-6-9/h7-9,11-13,17,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t11-,12+,13-,17+/m0/s1",GWVQGVCXFNYGFP-PFHKOEEOSA-N
DB16326,17094-01-8,Sepiapterin,investigational,,,,,,,,ZINC000017721961,CHEMBL1255653,,PTC923,194527,135398579,C[C@H](O)C(=O)C1=NC2=C(NC1)NC(N)=NC2=O,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1",VPVOXUSPXFPWBN-VKHMYHEASA-N
DB16327,2227173-68-2,Sepofarsen,investigational,,,,,,,,,,,,,,,,
DB16328,,Seviprotimut-L,investigational,,,,,,,,,,,,,,,,
DB16329,,siG12D LODER,investigational,,,,,,,,,,,,,,,,
DB16330,1330782-76-7,Simurosertib,investigational,,,,,,O1V,,,CHEMBL4297644,50506350,TAK-931,,135564531,CC1=NNC=C1C1=CC2=C(S1)C(=O)NC(=N2)[C@@H]1CC2CCN1CC2,"InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1",XGVXKJKTISMIOW-ZDUSSCGKSA-N
DB16331,1448867-41-1,Siremadlin,investigational,,,,,,9QW,,,CHEMBL3653256,129823,HDM-201,,71678098,COC1=NC(OC)=C(C=N1)C1=NC2=C([C@@H](N(C2=O)C2=CC(Cl)=CN(C)C2=O)C2=CC=C(Cl)C=C2)N1C(C)C,"InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1",AGBSXNCBIWWLHD-FQEVSTJZSA-N
DB16332,447406-78-2,Sodelglitazar,investigational,,,,,,,,ZINC000001553281,CHEMBL2104984,,GW677954,,9805950,CC1=C(CSC2=CC=C(OC(C)(C)C(O)=O)C(C)=C2)SC(=N1)C1=CC=C(C=C1F)C(F)(F)F,"InChI=1S/C23H21F4NO3S2/c1-12-9-15(6-8-18(12)31-22(3,4)21(29)30)32-11-19-13(2)28-20(33-19)16-7-5-14(10-17(16)24)23(25,26)27/h5-10H,11H2,1-4H3,(H,29,30)",ZUGQWAYOWCBWGM-UHFFFAOYSA-N
DB16333,1541170-75-5,Sonlicromanol,investigational,,,,,,,,,CHEMBL4802153,,SONLICROMANOL,,72710875,CC1=C(O)C(C)=C2CC[C@](C)(OC2=C1C)C(=O)N[C@@H]1CCCNC1,"InChI=1S/C19H28N2O3/c1-11-12(2)17-15(13(3)16(11)22)7-8-19(4,24-17)18(23)21-14-6-5-9-20-10-14/h14,20,22H,5-10H2,1-4H3,(H,21,23)/t14-,19+/m1/s1",LZYWLEPSQNXESC-KUHUBIRLSA-N
DB16334,1439902-67-6,STX-100,investigational,,,,,,,,,,,,,,,,
DB16335,1000296-70-7,Sulopenem etzadroxil,investigational,,,,,,,,ZINC000056898865,,,,,23642298,[H][C@]12SC(S[C@H]3CC[S@@+]([O-])C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCOC(=O)C(CC)CC,"InChI=1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3/t10-,12+,13+,16-,30-/m1/s1",NBPVNGWRLGHULH-CSOWVJSESA-N
DB16336,2225109-03-3,Tafolecimab,investigational,,,,,,,,,,,,,,,,
DB16337,1580555-26-5,Talditercept alfa,investigational,,,,,,,,,,,,,,,,
DB16338,1613267-49-4,Taniborbactam,investigational,,,,,,KJK,,,CHEMBL4463697,,,,,NCCN[C@H]1CC[C@H](CC(=O)N[C@H]2CC3=CC=CC(C(O)=O)=C3OB2O)CC1,"InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14-,16-/m0/s1",PFZUWUXKQPRWAL-NOLJZWGESA-N
DB16339,1161877-58-2,ABX-196,investigational,,,,,,,,,CHEMBL4594427,,ABX-196,,42630569,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC,"InChI=1S/C50H98N2O9/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(55)52-42(40-60-50-49(59)48(58)47(57)44(61-50)39-51-41(3)53)46(56)43(54)37-35-33-31-29-27-17-15-13-11-9-7-5-2/h42-44,46-50,54,56-59H,4-40H2,1-3H3,(H,51,53)(H,52,55)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1",VITDDUXZOHEQMU-BYSUZVQFSA-N
DB16340,14874-70-5,Tetrafluoroborate,investigational,,,,,,,,ZINC000242581732,CHEMBL1789400,26993,,38899,26255,F[B-](F)(F)F,"InChI=1S/BF4/c2-1(3,4)5/q-1",ODGCEQLVLXJUCC-UHFFFAOYSA-N
DB16341,1948266-37-2,Tilsotolimod,investigational,,,,,,,,,,,,,,,,
DB16342,1642152-40-6,Trastuzumab duocarmazine,investigational,,,,,,,,,,,,,,,,
DB16343,1383816-29-2,Tropifexor,investigational,,,,,,GWF,,,CHEMBL4298169,50527040,LJN-452,,,OC(=O)C1=CC(F)=C2N=C(SC2=C1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1=C(ON=C1C1=C(OC(F)(F)F)C=CC=C1)C1CC1,"InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+",VYLOOGHLKSNNEK-PIIMJCKOSA-N
DB16344,1038984-31-4,Tulrampator,investigational,,,,,,,,ZINC000064447868,CHEMBL1276826,,,,24857397,FC1=CC=CC(CCN2N=NC3=CC4=C(OCN(C5CC5)C4=O)C=C3C2=O)=C1,"InChI=1S/C20H17FN4O3/c21-13-3-1-2-12(8-13)6-7-25-20(27)15-10-18-16(9-17(15)22-23-25)19(26)24(11-28-18)14-4-5-14/h1-3,8-10,14H,4-7,11H2",JHCFQXNWYDLBOG-UHFFFAOYSA-N
DB16345,35803-45-3,Uracil C-13,investigational,,,,,,,,,,,,177594,10171240,O=C1N[13C](=O)NC=C1,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i4+1",ISAKRJDGNUQOIC-AZXPZELESA-N
DB16346,128253-31-6,Veliflapon,investigational,,,,,,QY1,,ZINC000000598193,CHEMBL88712,50052030,VELIFLAPON,,123723,OC(=O)[C@H](C1CCCC1)C1=CC=C(OCC2=NC3=C(C=CC=C3)C=C2)C=C1,"InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1",ZEYYDOLCHFETHQ-JOCHJYFZSA-N
DB16347,1196509-60-0,Velsecorat,investigational,,,,,,,,,,,,,139593415,C[C@@H](NC(=O)C(C)(F)F)[C@@H](OC1=CC=C2N(N=CC2=C1)C1=CC(=CC=C1)C(=O)N[C@@H]1CCOC1)C1=CC=C2OCCOC2=C1,"InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m1/s1",ZZWJKLGCDHYVMB-XGBAOLAVSA-N
DB16348,,Viagenpumatucel-L,investigational,,,,,,,,,,,,,,,,
DB16349,1314081-53-2,Vicagrel,investigational,,,,,,,,ZINC000084654546,CHEMBL2042273,,VICAGREL,,53378151,COC(=O)[C@@H](N1CCC2=C(C1)C=C(OC(C)=O)S2)C1=C(Cl)C=CC=C1,"InChI=1S/C18H18ClNO4S/c1-11(21)24-16-9-12-10-20(8-7-15(12)25-16)17(18(22)23-2)13-5-3-4-6-14(13)19/h3-6,9,17H,7-8,10H2,1-2H3/t17-/m0/s1",GNHHCBSBCDGWND-KRWDZBQOSA-N
DB16350,2243320-83-2,Vixarelimab,investigational,,,,,,,,,,,,,,,,
DB16351,139290-65-6,Volinanserin,investigational,,,,,,,,ZINC000000598040,CHEMBL74355,50095027,MDL-100.907,,5311271,COC1=C(OC)C(=CC=C1)[C@H](O)C1CCN(CCC2=CC=C(F)C=C2)CC1,"InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1",HXTGXYRHXAGCFP-OAQYLSRUSA-N
DB16352,1638935-72-4,Vonlerolizumab,investigational,,,,,,,,,,,,,,,,
DB16353,1008510-37-9,Razuprotafib,investigational,,,,,,,,,CHEMBL3931971,359124,RAZUPROTAFIB,,46700782,COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(NS(O)(=O)=O)C=C1)C1=CSC(=N1)C1=CC=CS1,"InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1",KWJDHELCGJFUHW-SFTDATJTSA-N
DB16354,435327-40-5,Avasopasem manganese,investigational,,,,,,,,,,,,,57696642,[Cl-].[Cl-].[Mn++].C1CC[C@@H]2NCC3=CC=CC(CN[C@H]4CCCC[C@@H]4NCCN[C@H]2C1)=N3,"InChI=1S/C21H35N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m0.../s1",WXEMWBBXVXHEPU-NDOCQCNASA-L
DB16355,2423014-07-5,Sotrovimab,"['approved', 'investigational']","['33907512', '33319649', '32877828']",,,2550731,,,,,,,,,,,,
DB16356,,Anti-SARS-CoV-2 IgY,investigational,,,,,,,,,,,,,,,,
DB16357,,BGB-DXP593,investigational,,,,,,,,,,,,,,,,
DB16358,,MW33,investigational,33087898,,,,,,,,,,,,,,,
DB16359,,CSL324,investigational,28515226,,,,,,,,,,,,,,,
DB16360,,Anti-SARS-CoV-2 immunoglobulin,investigational,,,,,,,,,,,,,,,,
DB16361,,Descartes-30,investigational,,,,,,,,,,,,,,,,
DB16362,9015-51-4,Silver proteinate,experimental,,,,,,,,,,,,,,,,
DB16363,,PlasmaCord,investigational,,,,,,,,,,,,,,,,
DB16364,,Recombinant Human Thrombopoietin,investigational,"['26403418', '31492102']",,,,,,,,,,,,,,,
DB16365,,Treamid,investigational,33171668,,,,,,,,,,,,,,,
DB16366,,F-652,investigational,29670279,,,,,,,,,,,,,,,
DB16367,,Autologous peripheral blood-derived CD34+ cells,"['approved', 'investigational']",,,,,,,,,,,,,,,,
DB16368,,Anti-SARS-CoV-2 equine immunoglobulin fragments,investigational,,,,,,,,,,,,,,,,
DB16369,,Matrix-M,investigational,,,,,,,,,,,,,,,,
DB16370,2227490-52-8,Mezagitamab,investigational,,,,,,,,,,,,,,,,
DB16371,2229047-91-8,Glofitamab,investigational,,,,,,,,,,,,,,,,
DB16372,2022215-65-0,Cobolimab,investigational,,,,,,,,,,,,,,,,
DB16373,2222865-46-3,Melrilimab,investigational,,,,,,,,,,,,,,,,
DB16374,2126777-87-3,Telazorlimab,investigational,,,,,,,,,,,,,,,,
DB16375,2197112-39-1,Felzartamab,investigational,,,,,,,,,,,,,,,,
DB16376,1245634-25-6,Actoxumab,investigational,,,,,,,,,,,,,,,,
DB16377,2242758-08-1,Tesnatilimab,investigational,,,,,,,,,,,,,,,,
DB16378,521079-87-8,Tefibazumab,investigational,,,,,,,,,,,,,,,,
DB16379,2097125-54-5,Garetosmab,investigational,"['30501012', '33459118', '32515349', '32557665', '26333933', '16642017', '32730934']",,,,,,,,,,,,,,,
DB16380,2348469-84-9,Coprelotamab,investigational,,,,,,,,,,,,,,,,
DB16381,2098280-42-1,Zampilimab,investigational,,,,,,,,,,,,,,,,
DB16383,2259301-27-2,Bexmarilimab,investigational,,,,,,,,,,,,,,,,
DB16384,252662-47-8,Toralizumab,investigational,,,,,,,,,,,,,,,,
DB16385,2375952-29-5,Ansuvimab,"['approved', 'investigational']","['31909070', '31774950', '30686586', '26917593', '31341272', '26917592']",,,2472152,,,,,,,,,,,,
DB16386,2173054-79-8,Astegolimab,investigational,,,,,,,,,,,,,,,,
DB16387,2035008-70-7,Levilimab,investigational,,,,,,,,,,,,,,,,
DB16388,2155851-88-8,Axatilimab,investigational,25157821,,,,,,,,,,,,,,,
DB16389,2415205-37-5,Zansecimab,investigational,30701027,,,,,,,,,,,,,,,
DB16390,1847461-43-1,Mobocertinib,"['approved', 'investigational']","['33728415', '34118178', '33632773', '30854234', '22263017', '34145979']",,,2570736,,,,,CHEMBL4650319,368374,TAK-788,,118607832,COC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C,"InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)",AZSRSNUQCUDCGG-UHFFFAOYSA-N
DB16391,2245966-28-1,Daxdilimab,investigational,,,,,,,,,,,,,,,,
DB16392,2226393-85-5,Avdoralimab,investigational,,,,,,,,,,,,,,,,
DB16393,2420563-99-9,Cilgavimab,investigational,"['32651581', '32668443', '34548634']",,,2587306,,,,,,,,,,,,
DB16394,2420564-02-7,Tixagevimab,investigational,"['32651581', '32668443', '34548634']",,,2587300,,,,,,,,,,,,
DB16395,2026634-47-7,Efineptakin alfa,investigational,,,,,,,,,,,,,,,,
DB16396,2416984-26-2,Goflikicept,investigational,,,,,,,,,,,,,,,,
DB16397,1070881-42-3,Terevalefim,investigational,32265417,,,,,,,ZINC000004301780,CHEMBL4650326,,ANG-3777,,5714038,N1C=CC(\C=C\C2=CC=CS2)=N1,"InChI=1S/C9H8N2S/c1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-7H,(H,10,11)/b4-3+",FOHWAQGURRYJFK-ONEGZZNKSA-N
DB16398,1953227-87-6,Efmarodocokin alfa,investigational,"['29608910', '29952004', '30464842']",,,,,,,,,,,,,,,
DB16399,,Modakafusp alfa,investigational,,,,,,,,,,,,,,,,
DB16400,1616113-45-1,Sibofimloc,investigational,,,,,,,,ZINC000209678340,CHEMBL4594305,,EB-8018,,76684239,[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C#CC1=CC=C2C3=CC=C(C=C3C3(CCN(CC3)C(C)=O)C2=C1)C#C[C@@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C35H39NO11/c1-18(39)36-12-10-35(11-13-36)23-14-19(4-8-25-29(40)33(44)31(42)27(16-37)46-25)2-6-21(23)22-7-3-20(15-24(22)35)5-9-26-30(41)34(45)32(43)28(17-38)47-26/h2-3,6-7,14-15,25-34,37-38,40-45H,10-13,16-17H2,1H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m1/s1",SFHMWDMKUYVSQJ-VECBPBMLSA-N
DB16401,2417904-10-8,Pidacmeran,investigational,,,,,,,,,,,,,,,,
DB16402,2417899-74-0,BNT-162A1,investigational,,,,,,,,,,,,,,,,
DB16403,21637-25-2,Isoquercitrin,investigational,,,,,,,,ZINC000013827646,,,,28299,5484006,[H][C@@]1(O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O)[C@H](O)CO,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",OPJZLUXFQFQYAI-GNPVFZCLSA-N
DB16404,499-75-2,Carvacrol,experimental,,,,1998840,,,,ZINC000000967563,CHEMBL281202,50240433,CARVACROL,3440,10364,CC(C)C1=CC(O)=C(C)C=C1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",RECUKUPTGUEGMW-UHFFFAOYSA-N
DB16405,2444308-95-4,Regdanvimab,"['approved', 'investigational']","['33436577', '34724174', '33319649']",,,,,,,,,,,,,,,
DB16406,1858276-04-6,Subasumstat,investigational,,,,,,,,,CHEMBL4862901,462958,,,118628567,CC1=C(C=C(S1)C(=O)C1=C(N[C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)C2)N=CN=C1)[C@@H]1NCCC2=C1C=C(Cl)C=C2,"InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1",LXRZVMYMQHNYJB-UNXOBOICSA-N
DB16407,1011529-10-4,Azvudine,investigational,"['32837847', '28487144', '25144636', '30223932']",,,,,,,,CHEMBL519846,,AZVUDINE,,24769759,NC1=NC(=O)N(C=C1)[C@@H]1O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]1F,"InChI=1S/C9H11FN6O4/c10-5-6(18)9(3-17,14-15-12)20-7(5)16-2-1-4(11)13-8(16)19/h1-2,5-7,17-18H,3H2,(H2,11,13,19)/t5-,6-,7+,9+/m0/s1",KTOLOIKYVCHRJW-XZMZPDFPSA-N
DB16408,2098191-53-6,Zotatifin,investigational,,,,,,,,,CHEMBL4303782,50540861,EFT-226,,129138801,COC1=NC(OC)=C2C(O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]23O)C2=CC=CC=C2)C2=CC=C(C=C2)C#N)=C1,"InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1",QYCXWOACFWMQFO-WZWZCULESA-N
DB16409,1918185-84-8,Tiragolumab,investigational,,,,,,,,,,,,,,,,
DB16410,2238831-60-0,Datopotamab deruxtecan,investigational,,,,,,,,,,,,,,,,
DB16411,1853239-04-9,Camidanlumab tesirine,investigational,,,,,,,,,,,,,,,,
DB16412,2247114-85-6,Adebrelimab,investigational,,,,,,,,,,,,,,,,
DB16413,2305607-45-6,Sotigalimab,investigational,,,,,,,,,,,,,,,,
DB16414,1608108-91-3,Birtamimab,investigational,,,,,,,,,,,,,,,,
DB16415,,Feladilimab,investigational,,,,,,,,,,,,,,,,
DB16416,2250440-41-4,Vilobelimab,investigational,"['28366510', '31631015', '29293144', '25433014']",,,,,,,,,,,,,,,
DB16417,2348469-43-0,Geptanolimab,investigational,,,,,,,,,,,,,,,,
DB16418,2108782-45-0,Narsoplimab,investigational,"['33163724', '33875812', '32681658', '33459118']",,,,,,,,,,,,,,,
DB16419,2137049-37-5,Ieramilimab,investigational,,,,,,,,,,,,,,,,
DB16420,2231305-30-7,Vibostolimab,investigational,,,,,,,,,,,,,,,,
DB16421,1233956-13-2,Volagidemab,investigational,,,,,,,,,,,,,,,,
DB16422,2254059-25-9,Quavonlimab,investigational,,,,,,,,,,,,,,,,
DB16423,,AK119,investigational,,,,,,,,,,,,,,,,
DB16424,,Allocetra,investigational,,,,,,,,,,,,,,,,
DB16425,38640-92-5,Rintatolimod,experimental,,,,,,,,,,,,,,,,
DB16426,7446-09-5,Sulfur dioxide,experimental,,,,1362879,,SO2,,,CHEMBL1235997,,SULFUR DIOXIDE,18422,1119,O=S=O,InChI=1S/O2S/c1-3-2,RAHZWNYVWXNFOC-UHFFFAOYSA-N
DB16427,,SARS-CoV-2 vaccine,investigational,,,,,,,,,,,,,,,,
DB16428,,GRAd-COV2,investigational,,,,,,,,,,,,,,,,
DB16429,,CoVac-1,investigational,33421475,,,,,,,,,,,,,,,
DB16430,,TMV-083,investigational,,,,,,,,,,,,,,,,
DB16431,,Receptor binding domain (RBD) SARS-CoV-2 (COVID-19) hepatitis B surface antigen (HBsAg) virus-like particle (VLP) vaccine,investigational,"['33245898', '33051445']",,,,,,,,,,,,,,,
DB16432,,MVA-SARS-2-S,investigational,33257686,,,,,,,,,,,,,,,
DB16433,,VXA-CoV2-1,investigational,,,,,,,,,,,,,,,,
DB16434,,IN01,investigational,,,,,,,,,,,,,,,,
DB16435,,AG0302-COVID19,investigational,33065034,,,,,,,,,,,,,,,
DB16436,,AdimrSC-2f,investigational,,,,,,,,,,,,,,,,
DB16437,,V590,investigational,32566261,,,,,,,,,,,,,,,
DB16438,,V591,investigational,,,,,,,,,,,,,,,,
DB16439,,EpiVacCorona,investigational,,,,,,,,,,,,,,,,
DB16440,24393-56-4,Ethyl methoxycinnamate,experimental,,,,2468050,,,,ZINC000000899863,CHEMBL95956,50486903,,,5281783,CCOC(=O)\C=C\C1=CC=C(OC)C=C1,"InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+",DHNGCHLFKUPGPX-RMKNXTFCSA-N
DB16441,,QazCovid-in,investigational,,,,,,,,,,,,,,,,
DB16442,,BNT162b3,investigational,,,,,,,,,,,,,,,,
DB16443,,Recombinant SARS-CoV-2 Vaccine (Sf9 Cell),investigational,32726802,,,,,,,,,,,,,,,
DB16444,,UB-612,investigational,,,,,,,,,,,,,,,,
DB16445,,ChulaCov19 mRNA vaccine,investigational,,,,,,,,,,,,,,,,
DB16446,1357362-02-7,Vafidemstat,investigational,"['29502954', '31801559']",,,,,,,,CHEMBL4802155,,VAFIDEMSTAT,,66714983,NC1=NN=C(CN[C@@H]2C[C@H]2C2=CC=C(OCC3=CC=CC=C3)C=C2)O1,"InChI=1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m0/s1",XBBRLCXCBCZIOI-DLBZAZTESA-N
DB16447,490-91-5,Thymoquinone,investigational,"['28551846', '29437018', '27364039', '29966985', '25829334']",,,,,IMW,,ZINC000000164367,CHEMBL1672002,166686,THYMOQUINONE,113532,10281,CC(C)C1=CC(=O)C(C)=CC1=O,"InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3",KEQHJBNSCLWCAE-UHFFFAOYSA-N
DB16448,,CD24Fc,investigational,32382131,,,,,,,,,,,,,,,
DB16449,14325-05-4,Tin protoporphyrin IX,investigational,"['28586635', '29738777', '29955082', '3186333']",,,,,,,,,,,,,[Cl-].[Cl-].[Sn+4].CC1=C(CCC([O-])=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC([O-])=O,"InChI=1S/C34H34N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);2*1H;/q;;;+4/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;;",KXYSGXXTXAHPIX-UHEVNVKKSA-J
DB16450,1023923-93-4,Rexin G,investigational,30581985,,,,,,,,,,,,,,,
DB16451,2241337-84-6,AT-527,investigational,"['31914458', '31570394']",,,,,,,,,,,,,,,
DB16452,,MAS825,investigational,,,,,,,,,,,,,,,,
DB16453,,ATYR1923,investigational,,,,,,,,,,,,,,,,
DB16465,,Meplazumab,investigational,"['32307653', '32291112']",,,,,,,,,,,,,,,
DB16474,574741-81-4,Pam2csk4,investigational,"['23449736', '29066417']",,,,,,,,,,,46889,9989023,CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C65H126N10O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-58(77)86-48-51(87-59(78)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-88-50-52(70)60(79)75-57(47-76)64(83)73-54(38-30-34-44-67)62(81)71-53(37-29-33-43-66)61(80)72-55(39-31-35-45-68)63(82)74-56(65(84)85)40-32-36-46-69/h51-57,76H,3-50,66-70H2,1-2H3,(H,71,81)(H,72,80)(H,73,83)(H,74,82)(H,75,79)(H,84,85)/t51?,52-,53-,54-,55-,56-,57-/m0/s1",LJUIOEFZFQRWJG-KKIBDXJDSA-N
DB16476,,Carrimycin,investigational,"['32256547', '32514689']",,,,,,,,,,,,,,,
DB16479,2135939-52-3,Inbakicept,investigational,"['32163523', '31969705']",,,,,,,,,,,,,,,
DB16495,111-58-0,Oleic monoethanolamide,investigational,"['12056855', '30291258', '30276145', '12560208', '30288203']",,,,,,,ZINC000008034993,CHEMBL280065,29080,,71466,5283454,CCCCCCCC\C=C/CCCCCCCC(=O)NCCO,"InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-",BOWVQLFMWHZBEF-KTKRTIGZSA-N
DB16514,,PF-07304814,investigational,,,,,,,,,,,,,,[H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C2=CC3=C(N2)C=CC=C3OC)C(=O)COP(O)(O)=O)CCNC1=O,"InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1",FQKALOFOWPDTED-WBAXXEDZSA-N
DB16517,,Influenza A virus A/Brisbane/10/2010 live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB16518,,Influenza A virus A/South Australia/55/2014 live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB16519,,Zofin,investigational,,,,,,,,,,,,,,,,
DB16520,,COVID-19 Spike-GM-CSF Protein Lactated Ringer's Injection,investigational,,,,,,,,,,,,,,,,
DB16521,,Prolectin-M,investigational,,,,,,,,,,,,,,,,
DB16522,,Sodium copper chlorophyllin,investigational,11902975,,,1366841,,,,,,,,,,,,
DB16523,,Deoxyribonuclease I,investigational,7503821,,,,,,,,,,,,,,,
DB16524,,FINLAY-FR-1,investigational,,,,,,,,,,,,,,,,
DB16525,,Collagen-polyvinylpyrrolidone,investigational,25051159,,,,,,,,,,,,,,,
DB16526,,BACTEK-R,investigational,"['28799230', '30779677']",,,,,,,,,,,,,,,
DB16527,41653-21-8,Ethyl piperidinoacetylaminobenzoate,experimental,,,,,,,1020,ZINC000000200489,CHEMBL2106245,,,31576,3300,CCOC(=O)C1=CC=C(NC(=O)CN2CCCCC2)C=C1,"InChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)",QLGIFPJNYPWBMQ-UHFFFAOYSA-N
DB16528,1826020-80-7,Gatralimab,investigational,,,,,,,,,,,,,,,,
DB16529,,Biomodulin T,investigational,31207285,,,,,,,,,,,,,,,
DB16530,,Dialyzable leukocyte extract,investigational,"['31223627', '29635903', '16997795', '29240855']",,,,,,,,,,,,,,,
DB16531,,KB109,investigational,31991615,,,,,,,,,,,,,,,
DB16532,,LL-37,investigational,"['25909853', '24023689']",,,,,,,,,,,,,,,
DB16533,,OM85,investigational,28262817,,,,,,,,,,,,,,,
DB16534,16788-57-1,"Potassium phosphate, dibasic, trihydrate",experimental,,,,2475957,,,,,,,,,16217523,O.O.O.[K+].[K+].OP([O-])([O-])=O,"InChI=1S/2K.H3O4P.3H2O/c;;1-5(2,3)4;;;/h;;(H3,1,2,3,4);3*1H2/q2*+1;;;;/p-2",XQGPKZUNMMFTAL-UHFFFAOYSA-L
DB16535,18481-26-0,Benzoyloxymethylthiamine,experimental,,,,,,,,,,,,,21116251,CC(N(CC1=CN=C(C)N=C1N)C=O)=C(CCO)SCOC(=O)C1=CC=CC=C1,"InChI=1S/C20H24N4O4S/c1-14(24(12-26)11-17-10-22-15(2)23-19(17)21)18(8-9-25)29-13-28-20(27)16-6-4-3-5-7-16/h3-7,10,12,25H,8-9,11,13H2,1-2H3,(H2,21,22,23)/b18-14-",KZZQSQPXTWSHLI-JXAWBTAJSA-N
DB16536,84012-15-7,Birch bark extract,"['experimental', 'approved']",,,,1309815,,,,,,,,,,,,
DB16537,,Bacillus clausii,experimental,,,,,,,,,,,,,,,,
DB16538,,Bifidobacterium bifidum,"['experimental', 'approved']",,,,285148,,,,,,,,,,,,
DB16539,68583-22-2,Escherichia coli,experimental,,,,350202,,,,,,,,,,,,
DB16540,,Lactobacillus delbrueckii bulgaricus,"['experimental', 'approved']",,,,100272,,,,,,,,,,,,
DB16541,68333-14-2,Lactobacillus casei,experimental,,,,1592255,,,,,,,,,,,,
DB16542,,Lactobacillus fermentum,experimental,,,,2471430,,,,,,,,,,,,
DB16543,,Lactobacillus gasseri,experimental,,,,2462497,,,,,,,,,,,,
DB16544,,Lactobacillus salivarius,experimental,,,,2110033,,,,,,,,,,,,
DB16545,,Malpighia emarginata extract,"['experimental', 'approved']",,,,,,,,,,,,,,,,
DB16546,84082-36-0,Medicago sativa top,experimental,,,,1668214,,,,,,,,,,,,
DB16547,189935-72-6,Furvina,experimental,"['22941660', '27830730']",,,,,,,ZINC000000007571,CHEMBL2335230,50428795,,,5849412,[O-][N+](=O)C(\Br)=C\C1=CC=C(Br)O1,InChI=1S/C6H3Br2NO3/c7-5(9(10)11)3-4-1-2-6(8)12-4/h1-3H/b5-3+,MJPPGVVIDGQOQT-HWKANZROSA-N
DB16548,,Streptococcus thermophilus,experimental,,,,,,,,,,,,,,,,
DB16549,,Bifidobacterium breve,experimental,,,,2110011,,,,,,,,,,,,
DB16550,,Bifidobacterium animalis lactis,experimental,,,,1550045,,,,,,,,,,,,
DB16551,,Lactobacillus paracasei,experimental,,,,2375526,,,,,,,,,,,,
DB16552,1314-23-4,Zirconium dioxide,experimental,,,,39972,,,,,,,,,62395,O=[Zr]=O,InChI=1S/2O.Zr,MCMNRKCIXSYSNV-UHFFFAOYSA-N
DB16553,,Poloxamer 237,experimental,,,,1492190,,,,,,,,,,,,
DB16554,74536-44-0,Metadoxine,experimental,,,,,,,,,,,,,115198,OC(=O)[C@@H]1CCC(=O)N1.CC1=NC=C(CO)C(CO)=C1O,"InChI=1S/C8H11NO3.C5H7NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4-2-1-3(6-4)5(8)9/h2,10-12H,3-4H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1",RYKKQQUKJJGFMN-HVDRVSQOSA-N
DB16555,151186-19-5,Lactoferrin,investigational,,,,1425933,,,,,,,,,,,,
DB16556,8002-23-1,Spermaceti,experimental,,,,9968,,,,,,,,,,,,
DB16557,1374419-41-6,Tosatoxumab,investigational,31847708,,,,,,,,,,,,,,,
DB16558,,Rosa canina fruit,experimental,,,,1311501,,,,,,,,,,,,
DB16559,8046-97-7,Nux vomica extract,experimental,,,,314743,,,,,,,,,,,,
DB16560,109-95-5,Ethyl nitrite,experimental,,,,1921585,,,,ZINC000005650763,CHEMBL1551365,,,173313,8026,CCON=O,"InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3",QQZWEECEMNQSTG-UHFFFAOYSA-N
DB16561,5036-02-2,Tetramisole,experimental,,,,,,,,,CHEMBL277775,,,77278,3913,C1CN2CC(N=C2S1)C1=CC=CC=C1,"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2",HLFSDGLLUJUHTE-UHFFFAOYSA-N
DB16562,,Sepia esculenta bone,experimental,,,,1798446,,,,,,,,,,,,
DB16563,,Pediococcus acidilactici,experimental,,,,,,,,,,,,,,,,
DB16564,,Mucopolysaccharide polysulphate,experimental,,,,30320,,,,,,,,,,,,
DB16565,,"Hepatitis A vaccine (live, attenuated)",experimental,,,,,,,,,,,,,,,,
DB16566,,Gentiana lutea extract,experimental,,,,1307945,,,,,,,,,,,,
DB16567,139-91-3,Furaltadone,experimental,,,,,,,1256,,CHEMBL1189513,50392858,,,9553856,[O-][N+](=O)C1=CC=C(O1)\C=N\N1CC(CN2CCOCC2)OC1=O,"InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+",YVQVOQKFMFRVGR-VGOFMYFVSA-N
DB16568,68915-24-2,Succinylated gelatin,experimental,,,,52853,,,,,,,,,,,,
DB16569,,Bungarus candidus antivenom,experimental,,,,,,,,,,,,,,,,
DB16570,313258-61-6,Wheat germ oil,experimental,,,,72385,,,,,,,,,,,,
DB16571,,Aspergillopepsin-2,experimental,,,,,,,,,,,,,,,,
DB16572,94820-09-4,Cadexomer iodine,experimental,,D03AX01,,20012,,,,,,,,,,,,
DB16573,,"Tetanus immune globulin, equine",experimental,,,,,,,,,,,,,,,,
DB16574,,"Rabies immune globulin, equine",experimental,,,,,,,,,,,,,,,,
DB16575,,Mentha arvensis leaf oil,experimental,,,,1307691,,,,,,,,,,,,
DB16576,,Cardamom,experimental,,,,1314587,,,,,,,,,,,,
DB16577,,"Japanese encephalitis vaccine (live, attenuated)",experimental,,,,,,,,,,,,,,,,
DB16578,,"Poliomyelitis virus type 1 (live, attenuated)",experimental,,,,,,,,,,,,,,,,
DB16579,,"Poliomyelitis virus type 3 (live, attenuated)",experimental,,,,,,,,,,,,,,,,
DB16580,2171019-55-7,Afimetoran,investigational,,,,,,,,,CHEMBL4650329,273241,BMS-986256,,132271862,CC(C)C1=C(NC2=CC=C(C=C12)C1CCN(CC(N)=O)CC1)C1=CN2N=CN=C2C(C)=C1C,"InChI=1S/C26H32N6O/c1-15(2)24-20-11-19(18-7-9-31(10-8-18)13-23(27)33)5-6-22(20)30-25(24)21-12-32-26(28-14-29-32)17(4)16(21)3/h5-6,11-12,14-15,18,30H,7-10,13H2,1-4H3,(H2,27,33)",SNFVHLQYHFQOEP-UHFFFAOYSA-N
DB16581,,Darvadstrocel,"['experimental', 'approved']",,L04AX08,,,,,,,,,,,,,,
DB16582,,Lisocabtagene maraleucel,approved,"['1725979', '1351920', '32888407', '32670869', '24499671', '32765524', '26497518', '18064051']",,,2479136,,,,,,,,,,,,
DB16583,,Pelargonium sidoides root,experimental,,,,1310166,,,,,,,,,,,,
DB16584,118731-97-8,Liprotamase protease,experimental,,,,1999473,,,,,,,,,,,,
DB16585,55049-48-4,Potassium sodium hydrogen citrate,experimental,,,,,,,,,,,,,171403,[Na+].[Na+].[Na+].[K+].[K+].[K+].[H]O[H].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,"InChI=1S/2C6H8O7.3K.3Na.H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;1H2/q;;6*+1;/p-6",IYKMDRMCUIFHRA-UHFFFAOYSA-H
DB16586,,Pygeum africanum bark,experimental,,,,580117,,,,,,,,,,,,
DB16587,72826-31-4,Molybdate Mo-99,experimental,,,,,,,,,,,,,73415745,[O-][99Mo]([O-])(=O)=O,InChI=1S/Mo.4O/q;;;2*-1/i1+3;;;;,MEFBJEMVZONFCJ-GNPPXRDPSA-N
DB16588,,Influenza A virus A/Victoria/2570/2019 IVR-215 (H1N1) antigen (formaldehyde inactivated),approved,,,,2479040,,,,,,,,,,,,
DB16589,,Pinus densiflora whole,experimental,,,,2288428,,,,,,,,,,,,
DB16590,68391-01-5,N-Alkyl dimethyl benzyl ammonium chloride (C12-C18),experimental,,,,1539816,,,,,CHEMBL421049,,,,8755,[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1,"InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1",OCBHHZMJRVXXQK-UHFFFAOYSA-M
DB16591,,Ascophyllum nodosum,experimental,,,,1311127,,,,,,,,,,,,
DB16592,,Frankincense,experimental,,,,1311479,,,,,,,,,,,,
DB16593,,Chinese cinnamon,experimental,,,,1305720,,,,,,,,,,,,
DB16594,,Goldenseal,"['experimental', 'approved']",,,,314666,,,,,,,,,,,,
DB16595,,Paeonia lactiflora root,experimental,,,,1307731,,,,,,,,,,,,
DB16596,,Apple cider vinegar,experimental,,,,360262,,,,,,,,,,,,
DB16597,,Artemisia annua leaf,experimental,,,,1656306,,,,,,,,,,,,
DB16598,,Citrus aurantium fruit,experimental,,,,1311573,,,,,,,,,,,,
DB16599,12656-61-0,Cerebrolysin,experimental,,,,,,,,,,,,,,,,
DB16600,8015-91-6,Cinnamon leaf oil,experimental,,,,1309227,,,,,,,,,,,,
DB16601,8000-29-1,Citronella oil,experimental,,,,1309376,,,,,,,,,,,,
DB16602,11032-41-0,Dihydroergotoxine,experimental,,,,3419,,,,,,,,,,,,
DB16603,,Escherichia coli strain Nissle 1917,experimental,,,,,,,,,,,,,,,,
DB16604,9001-31-4,Fibrin,experimental,,,,,,,,,,,,,,,,
DB16605,,Fucus vesiculosus,experimental,,,,1334747,,,,,,,,,,,,
DB16606,,Vitis vinifera seed,experimental,,,,237116,,,,,,,,,,,,
DB16607,7447-41-8,Lithium chloride,experimental,,,,1311533,,,,,CHEMBL69710,,,48607,433294,[Li]Cl,InChI=1S/ClH.Li/h1H;/q;+1/p-1,KWGKDLIKAYFUFQ-UHFFFAOYSA-M
DB16608,7601-89-0,Sodium perchlorate,experimental,,,,,,,,,CHEMBL1644700,50102097,,132103,139036533,[Na+].[O-][Cl](=O)(=O)=O,"InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",BAZAXWOYCMUHIX-UHFFFAOYSA-M
DB16609,,Streptococcus pneumoniae type 6a capsular polysaccharide antigen,experimental,,,,,,,,,,,,,,,,
DB16610,8007-46-3,Thyme oil,experimental,,,,90950,,,,,,,,,,,,
DB16611,,"Tick-borne encephalitis vaccine (whole virus, inactivated)",approved,"['31267816', '18514730', '30710567', '21843576', '29958443']",,,2583637,,,,,,,,,,,,
DB16612,,Bee pollen,experimental,,,,253157,,,,,,,,,,,,
DB16613,,Equine collagen,experimental,,,,1306187,,,,,,,,,,,,
DB16614,122384-88-7,Amlintide,experimental,,,,,,,,,,,,,,,,
DB16615,,Krill oil,experimental,,,,880350,,,,,,,,,,,,
DB16616,,Lithothamnion calcareum extract
,experimental,,,,,,,,,,,,,,,,
DB16617,14008-88-9,2-(p-Tolyl)ethyl nicotinate,experimental,,,,,,,,,,,,,,,,
DB16618,8014-68-4,Niaouli oil,experimental,,,,1309375,,,,,,,,,,,,
DB16619,28184-71-6,Magnesium aspartate hydrochloride,experimental,,,,,,,,,,,,,88433052,[Mg++].Cl.N[C@@H](CC([O-])=O)C([O-])=O,"InChI=1S/C4H7NO4.ClH.Mg/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2/t2-;;/m0../s1",QYOBXHXZJRPWDE-JIZZDEOASA-L
DB16620,2410-93-7,Methopterin,investigational,19127866,,,,,,,ZINC000008214609,CHEMBL158990,50023905,,183928,135434845,CN(CC1=CN=C2N=C(N)NC(=O)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,"InChI=1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1",HLIXOCXUWGDBNP-ZDUSSCGKSA-N
DB16621,96-82-2,Lactobionic acid,experimental,,,,1426413,,,,ZINC000004215172,CHEMBL3039602,,,55481,7314,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O,"InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1",JYTUSYBCFIZPBE-AMTLMPIISA-N
DB16622,7333-84-8,Dectaflur,experimental,,,,,,,,,,,,,87135354,F.CCCCCCCC\C=C/CCCCCCCCN,"InChI=1S/C18H37N.FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-19H2,1H3;1H/b10-9-;",QGSCPWWHMSCFOV-KVVVOXFISA-N
DB16623,37571-84-9,Amidephrine,experimental,,,,,,,155,,CHEMBL146408,50225291,,134994,15010,CNCC(O)C1=CC(NS(C)(=O)=O)=CC=C1,"InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3",ZHOWHMXTJFZXRB-UHFFFAOYSA-N
DB16624,55172-29-7,Thallous chloride Tl-201,approved,,V09GX01,,91588,,,5095,,,,,32213,72170,Cl[201Tl],InChI=1S/ClH.Tl/h1H;/q;+1/p-1/i;1-3,GBECUEIQVRDUKB-RYDPDVNUSA-M
DB16625,23983-43-9,Prasterone enantate,approved,,,,,,,,ZINC000005820240,,,,,163331,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCC,"InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-19-13-15-25(2)18(17-19)9-10-20-21-11-12-23(27)26(21,3)16-14-22(20)25/h9,19-22H,4-8,10-17H2,1-3H3/t19-,20-,21-,22-,25-,26-/m0/s1",HHENOUDBWKNPAB-BNCSLUSBSA-N
DB16626,9002-10-2,Tyrosinase,investigational,"['3125075', '24656803', '30734608']",,,,,,,,,,,,,,,
DB16627,380449-51-4,Melphalan flufenamide,"['withdrawn', 'approved']","['7545551', '2910515', '8781575', '7527485', '32992506', '27098276', '20573084', '29029544']",,,2531369,,,5445,,CHEMBL4303060,,PRODRUG J 1,,9935639,CCOC(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)[C@@H](N)CC1=CC=C(C=C1)N(CCCl)CCCl,"InChI=1S/C24H30Cl2FN3O3/c1-2-33-24(32)22(16-18-3-7-19(27)8-4-18)29-23(31)21(28)15-17-5-9-20(10-6-17)30(13-11-25)14-12-26/h3-10,21-22H,2,11-16,28H2,1H3,(H,29,31)/t21-,22-/m0/s1",YQZNKYXGZSVEHI-VXKWHMMOSA-N
DB16628,150829-29-1,Fosdenopterin,approved,"['26343839', '25764214', '23201473', '23539623']",,,2531288,,,5444,ZINC000034962340,CHEMBL2338675,,FOSDENOPTERIN,60210,135463437,[H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(NC(N)=NC3=O)N[C@]1([H])O2,"InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1",CZAKJJUNKNPTTO-AJFJRRQVSA-N
DB16629,1996626-29-9,Serdexmethylphenidate,approved,"['15999146', '26386541', '17618619', '28412445', '14594346', '31581854', '19322953', '15082749', '29428394', '20855046']",,,2562176,,,,,,,,,134823895,[H][C@@]1(CCCCN1C(=O)OC[N+]1=CC=CC(=C1)C(=O)N[C@@H](CO)C([O-])=O)[C@H](C(=O)OC)C1=CC=CC=C1,"InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/t19-,20+,21+/m0/s1",UBZPNQRBUOBBLN-PWRODBHTSA-N
DB16630,,OPB-111077,investigational,29511132,,,,,,,,,,,,,,,
DB16631,343785-33-1,"1,3-Bis((1-methylethyl)amino)propan-2-ol",experimental,,,,2385341,,,,ZINC000001709078,CHEMBL1193663,,,,273840,CC(C)NCC(O)CNC(C)C,"InChI=1S/C9H22N2O/c1-7(2)10-5-9(12)6-11-8(3)4/h7-12H,5-6H2,1-4H3",KUKNLWUAKYIWDI-UHFFFAOYSA-N
DB16632,,Chamaecyparis obtusa whole,experimental,,,,1429927,,,,,,,,,,,,
DB16633,,Cryptomeria japonica bark,experimental,,,,2479553,,,,,,,,,,,,
DB16634,7377-03-9,Caprylhydroxamic acid,experimental,,,,1307145,,,,ZINC000095740180,,,,,23846,CCCCCCCC(=O)NO,"InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)",RGUVUPQQFXCJFC-UHFFFAOYSA-N
DB16635,27215-38-9,Glyceryl laurate,experimental,,,,1311693,,,,,CHEMBL510533,,,75543,14871,CCCCCCCCCCCC(=O)OCC(O)CO,"InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3",ARIWANIATODDMH-UHFFFAOYSA-N
DB16636,,Gastrodia elata whole,experimental,,,,2359266,,,,,,,,,,,,
DB16637,904899-25-8,KW-2450 free base,experimental,,,,,,,,,,,,,54771494,CC1=C(SC=C1)C(=O)NC1=CC(CN2CCN(CC2)C(=O)CO)=CC=C1\C=C\C1=NNC2=CC=CC=C12,"InChI=1S/C28H29N5O3S/c1-19-10-15-37-27(19)28(36)29-25-16-20(17-32-11-13-33(14-12-32)26(35)18-34)6-7-21(25)8-9-24-22-4-2-3-5-23(22)30-31-24/h2-10,15-16,34H,11-14,17-18H2,1H3,(H,29,36)(H,30,31)/b9-8+",HHCSNTXVZDWIGT-CMDGGOBGSA-N
DB16638,,Cnidium monnieri fruit,experimental,,,,1309361,,,,,,,,,,,,
DB16639,8013-10-3,Juniper tar,"['experimental', 'approved']",,,,6086,,,,,,,,,,,,
DB16640,1899921-05-1,Almonertinib,investigational,"['33338652', '32916310', '33546082']",,,,,,,,CHEMBL4761468,,AMEILE,,121280087,COC1=CC(N(C)CCN(C)C)=C(NC(=O)C=C)C=C1NC1=NC(=CC=N1)C1=CN(C2CC2)C2=C1C=CC=C2,"InChI=1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)",DOEOECWDNSEFDN-UHFFFAOYSA-N
DB16641,2256084-03-2,Sugemalimab,investigational,,,,,,,,,,,,,,,,
DB16642,,"Influenza A virus subtype H3N2 haemagglutinin, recombinant",approved,,,,,,,,,,,,,,,,
DB16643,,"Influenza A virus subtype H1N1 haemagglutinin, recombinant",approved,,,,,,,,,,,,,,,,
DB16644,,"Influenza B virus Victoria lineage haemagglutinin, recombinant",approved,,,,,,,,,,,,,,,,
DB16645,,"Influenza B virus Yamagata lineage haemagglutinin, recombinant",approved,,,,,,,,,,,,,,,,
DB16646,,Influenza A virus A/Vietnam/1194/2004 (H5N1) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB16647,1931944-80-7,Donanemab,investigational,"['16254429', '33614890', '29616706', '33720637']",,,,,,,,,,,,,,,
DB16648,,Bacillus calmette-guerin substrain russian BCG-I live antigen,approved,32559616,,,,,,,,,,,,,,,
DB16649,2394931-19-0,Ordesekimab,investigational,,,,,,,,,,,,,,,,
DB16650,1609392-27-9,Deucravacitinib,investigational,,,,,,,,,CHEMBL4435170,50507816,,,134821691,[2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NN(C)C=N3)=C2OC)C=C(NC(=O)C2CC2)N=N1,"InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3",BZZKEPGENYLQSC-FIBGUPNXSA-N
DB16651,2408310-37-0,Botensilimab,investigational,,,,,,,,,,,,,,,,
DB16652,1983983-41-0,Avotaciclib,investigational,,,,,,,,,,,,,,NC1=NC=CC(=N1)C1=NC(=C(O)C=C1)C1=NC(N)=NC=C1,"InChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)",VFVAQKKPFOPZEA-UHFFFAOYSA-N
DB16653,1314241-10-5,Orticumab,investigational,,,,,,,,,,,,,,,,
DB16654,2278244-14-5,Nivatrotamab,investigational,,,,,,,,,,,,,,,,
DB16655,2119595-80-9,Teclistamab,investigational,,,,,,,,,,,,,,,,
DB16656,1204918-72-8,Zotiraciclib,investigational,,,,,,,,ZINC000068251500,CHEMBL1944698,50363196,ZOTIRACICLIB,,16739650,CN1C\C=C\CCOC2=CC(=CC=C2)C2=CC=NC(NC3=CC=CC(C1)=C3)=N2,"InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+",VXBAJLGYBMTJCY-NSCUHMNNSA-N
DB16657,1510829-06-7,Vecabrutinib,investigational,,,,,,,,,CHEMBL4297640,,SNS-062,,72547837,NC(=O)[C@H]1CCN(C[C@@H]1N1CCC[C@@H](NC2=CC(=CC(Cl)=C2)C(F)(F)F)C1=O)C1=NC=NC(N)=C1F,"InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1",QLRRJMOBVVGXEJ-XHSDSOJGSA-N
DB16658,2102543-86-0,Imsidolimab,investigational,,,,,,,,,,,,,,,,
DB16659,2260568-31-6,Bentracimab,investigational,,,,,,,,,,,,,,,,
DB16660,2051918-33-1,Izencitinib,investigational,,,,,,,,,CHEMBL4650343,,TD-1473,,,CC1=CC(NC2=NC(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)=C3C=CC=NC3=C2)=NN1,"InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15-,16-,17+",DADAEARVGOQWHV-OSYLJGHBSA-N
DB16661,2022981-44-6,Etokimab,investigational,,,,,,,,,,,,,,,,
DB16662,,Efanesoctocog alfa,investigational,,,,,,,,,,,,,,,,
DB16663,1186098-83-8,Oxelumab,investigational,,,,,,,,,,,,,,,,
DB16664,9026-00-0,Bucelipase alfa,investigational,,,,,,,,,,,,,,,,
DB16665,,Idecabtagene vicleucel,approved,"['22474489', '1351920', '30102324', '21426296', '32707894', '24499671', '30858549', '33777790']",,,2536430,,,,,,,,,,,,
DB16666,1929549-92-7,Ianalumab,investigational,,,,,,,,,,,,,,,,
DB16667,2293951-22-9,Pimivalimab,investigational,,,,,,,,,,,,,,,,
DB16668,2098225-93-3,Budigalimab,investigational,,,,,,,,,,,,,,,,
DB16669,2342597-90-2,Surzebiclimab,investigational,,,,,,,,,,,,,,,,
DB16670,2342597-81-1,Garivulimab,investigational,,,,,,,,,,,,,,,,
DB16671,2241728-76-5,Torudokimab,investigational,,,,,,,,,,,,,,,,
DB16672,2134641-34-0,Epcoritamab,investigational,,,,,,,,,,,,,,,,
DB16673,2305770-44-7,Mibavademab,investigational,,,,,,,,,,,,,,,,
DB16674,2019133-28-7,Zagotenemab,investigational,,,,,,,,,,,,,,,,
DB16675,2378407-27-1,Uliledlimab,investigational,,,,,,,,,,,,,,,,
DB16676,2050816-56-1,Ravagalimab,investigational,,,,,,,,,,,,,,,,
DB16677,2377679-19-9,Nadecnemab,investigational,,,,,,,,,,,,,,,,
DB16678,2226212-40-2,Talquetamab,investigational,,,,,,,,,,,,,,,,
DB16679,2283356-07-8,Letaplimab,investigational,,,,,,,,,,,,,,,,
DB16680,2394841-59-7,Cadonilimab,investigational,,,,,,,,,,,,,,,,
DB16681,2378692-24-9,Alomfilimab,investigational,,,,,,,,,,,,,,,,
DB16682,2098724-83-3,Abelacimab,investigational,,,,,,,,,,,,,,,,
DB16683,97321-87-4,Foslevodopa,investigational,,,,,,,,,CHEMBL4594379,,FOSLEVODOPA,192509,127766,N[C@@H](CC1=CC=C(OP(O)(O)=O)C(O)=C1)C(O)=O,"InChI=1S/C9H12NO7P/c10-6(9(12)13)3-5-1-2-8(7(11)4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H2,14,15,16)/t6-/m0/s1",YNDMEEULGSTYJT-LURJTMIESA-N
DB16684,1801338-64-6,Odronextamab,investigational,,,,,,,,,,,,,,,,
DB16685,2245725-04-4,Tebotelimab,investigational,,,,,,,,,,,,,,,,
DB16686,1644543-31-6,Efmitermant alfa,investigational,,,,,,,,,,,,,,,,
DB16687,1447799-33-8,Reltecimod,investigational,,,,,,,,,CHEMBL3989950,,RELTECIMOD,,71652162,CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C)C(O)=O,"InChI=1S/C46H72N10O15S/c1-22(2)18-30(52-39(63)29(15-17-72-8)50-43(67)34-10-9-16-56(34)45(69)33(21-57)54-37(61)24(5)47)42(66)55-36(23(3)4)44(68)48-25(6)38(62)51-31(19-27-11-13-28(58)14-12-27)41(65)53-32(20-35(59)60)40(64)49-26(7)46(70)71/h11-14,22-26,29-34,36,57-58H,9-10,15-21,47H2,1-8H3,(H,48,68)(H,49,64)(H,50,67)(H,51,62)(H,52,63)(H,53,65)(H,54,61)(H,55,66)(H,59,60)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,33+,34+,36+/m1/s1",VRNHFZYMPDKTBS-WYUJEMNCSA-N
DB16688,916056-79-6,Reproxalap,investigational,,,,,,,,,CHEMBL4297210,,REPROXALAP,,16088030,CC(C)(O)C1=NC2=C(C=C1N)C=C(Cl)C=C2,"InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3",GUHFUVLKYSQIOQ-UHFFFAOYSA-N
DB16689,1960461-99-7,Tengonermin,investigational,"['29753703', '31547231']",,,,,,,,,,,,,,,
DB16690,942195-55-3,Tegoprazan,investigational,"['30894456', '30843245']",,,,,,,,CHEMBL4297583,,TEGOPRAZAN,,23582846,CN(C)C(=O)C1=CC(O[C@H]2CCOC3=CC(F)=CC(F)=C23)=C2NC(C)=NC2=C1,"InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1",CLIQCDHNPDMGSL-HNNXBMFYSA-N
DB16691,2628280-40-8,Nirmatrelvir,investigational,"['33460213', '33098476', '27799534']",,,,,,,,CHEMBL4802135,496902,PF-07321332,170007,155903259,[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C,"InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1",LIENCHBZNNMNKG-OJFNHCPVSA-N
DB16692,,Axalimogene filolisbac,investigational,,,,,,,,,,,,,,,,
DB16693,1188379-43-2,Insulin icodec,experimental,,,,,,,,,,,,,,,,
DB16694,2019171-69-6,Pegcetacoplan,approved,"['33730455', '33804461', '30135690', '10571018', '33464651', '24474777']",,D11613,2557372,,,,,,,,,,,,
DB16695,2171511-58-1,Amivantamab,"['approved', 'investigational']","['32414908', '33839159', '27786612', '28653357', '32747419', '33946594', '27216193', '26260789']",,,2549198,,,,,,,,,,,,
DB16697,,Glutazumab,investigational,29355505,,,,,,,,,,,,,,,
DB16698,,Neihulizumab,investigational,,,,,,,,,,,,,,,,
DB16699,1867157-35-4,Vutrisiran,investigational,,,,,,,,,,,,,,,,
DB16700,1402936-61-1,Runcaciguat,investigational,,,,,,XZ7,,,CHEMBL4650322,,RUNCACIGUAT,,134440946,C[C@H]([C@H](C(=O)NC1=C(Cl)C=CC(=C1)[C@@H](CC(O)=O)C1CC1)C1=CC=C(Cl)C=C1)C(F)(F)F,"InChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17+,21+/m1/s1",NCRMKIWHFXSBGZ-CNBXIYLPSA-N
DB16701,9001-91-6,Plasminogen,approved,"['30969567', '17900274']",,,2557200,,,,,,,,,,,,
DB16702,22881-35-2,Famprofazone,experimental,20663288,,,,,,1130,,CHEMBL1475693,50103614,,93799,3326,CC(C)C1=C(CN(C)C(C)CC2=CC=CC=C2)N(C)N(C1=O)C1=CC=CC=C1,"InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3",GNUXVOXXWGNPIV-UHFFFAOYSA-N
DB16703,911417-87-3,Belumosudil,"['approved', 'investigational']","['16412784', '34265047', '34095764']",,D11815,2564025,,,,ZINC000063298464,CHEMBL2005186,322155,BELUMOSUDIL,,11950170,CC(C)NC(=O)COC1=CC=CC(=C1)C1=NC2=C(C=CC=C2)C(NC2=CC=C3NN=CC3=C2)=N1,"InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)",GKHIVNAUVKXIIY-UHFFFAOYSA-N
DB16704,1467829-71-5,Durlobactam,investigational,,,,,,,,ZINC000220881117,CHEMBL4298137,,ETX-2514,,89851852,CC1=C[C@@H]2C[N@]([C@@H]1C(N)=O)C(=O)N2OS(O)(=O)=O,"InChI=1S/C8H11N3O6S/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6+/m1/s1",BISPBXFUKNXOQY-RITPCOANSA-N
DB16705,,Influenza A virus A/Tasmania/503/2020 IVR-221 (H3N2) antigen (formaldehyde inactivated),approved,,,,2561244,,,,,,,,,,,,
DB16706,,Influenza A virus A/Wisconsin/588/2019 (H1N1) recombinant hemagglutinin antigen,approved,,,,2562555,,,,,,,,,,,,
DB16707,2170729-29-8,Gavorestat,investigational,,,,,,,,,CHEMBL4650327,,AT-007,,132260161,OC(=O)CC1=NN(CC2=NC3=CC(=CC=C3S2)C(F)(F)F)C(=O)C2=CSC=C12,"InChI=1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25)",ORQGHAJIWGGFJK-UHFFFAOYSA-N
DB16708,2359727-71-0,Cipaglucosidase alfa,investigational,,,,,,,,,,,,,,,,
DB16709,,Allogeneic cultured keratinocytes and dermal fibroblasts in murine collagen,approved,19276766,,,,,,,,,,,,,,,
DB16710,,Streptococcus pneumoniae type 22F capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,2566297,,,,,,,,,,,,
DB16711,,Streptococcus pneumoniae type 33F capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,2566296,,,,,,,,,,,,
DB16712,1272033-67-6,Corynebacterium diphtheriae CRM197 protein,approved,,,,,,,,,,,,,,,,
DB16713,,Streptococcus pneumoniae type 8 capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,2566295,,,,,,,,,,,,
DB16714,,Streptococcus pneumoniae type 10A capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,2566291,,,,,,,,,,,,
DB16715,,Streptococcus pneumoniae type 11A capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,2566292,,,,,,,,,,,,
DB16716,,Streptococcus pneumoniae type 12F capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,2566293,,,,,,,,,,,,
DB16717,,Streptococcus pneumoniae type 15B capsular polysaccharide diphtheria CRM197 protein conjugate antigen,approved,,,,2566294,,,,,,,,,,,,
DB16718,,Influenza A virus A/Tasmania/503/2020 (H3N2) live (attenuated) antigen,approved,,,,,,,,,,,,,,,,
DB16719,,Influenza A virus A/Victoria/1/2020 (H1N1) live (attenuated) antigen,approved,,,,2564395,,,,,,,,,,,,
DB16720,,"Influenza A virus A/Victoria/2570/2019 IVR-215 (H1N1) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB16721,,"Influenza A virus A/Tasmania/503/2020 IVR-221 (H3N2) antigen (UV, formaldehyde inactivated)",approved,,,,,,,,,,,,,,,,
DB16722,,Influenza A virus A/Victoria/2570/2019 IVR-215 (H1N1) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB16723,,Influenza A virus A/Cambodia/e0826360/2020 IVR-224 (H3N2) antigen (propiolactone inactivated),approved,,,,,,,,,,,,,,,,
DB16724,,Influenza A virus A/Tasmania/503/2020 (H3N2) recombinant hemagglutinin antigen,approved,,,,,,,,,,,,,,,,
DB16725,,Influenza A virus A/Cambodia/e0826360/2020 IVR-224 (H3N2) antigen (formaldehyde inactivated),approved,,,,,,,,,,,,,,,,
DB16726,,"Influenza A virus A/Tasmania/503/2020 (H3N2) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,,,,,,,,,,,,,
DB16727,,"Influenza A virus A/Washington/19/2020 (H1N1) antigen (MDCK cell derived, propiolactone inactivated)",approved,,,,2562554,,,,,,,,,,,,
DB16728,2283348-97-8,Lirentelimab,investigational,,,,,,,,,,,,,,,,
DB16729,2231068-83-8,Favezelimab,investigational,,,,,,,,,,,,,,,,
DB16730,2305638-98-4,Enibarcimab,investigational,,,,,,,,,,,,,,,,
DB16731,32447-90-8,Dextilidine,experimental,,,,,,,,,,,,,,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C1=CC=CC=C1,"InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1",WDEFBBTXULIOBB-WBVHZDCISA-N
DB16732,1418731-10-8,Tisotumab vedotin,approved,"['33845034', '31796521']",,,2571093,,,,,,,,,,,,
DB16733,2167246-24-2,Rimtuzalcap,investigational,"['21521760', '31209041']",,,,,,,,CHEMBL4650330,,CAD-1883,,132207249,CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1,"InChI=1S/C18H24F2N6O/c1-13-4-7-26(24-13)17-22-15(21-14-2-5-18(19,20)6-3-14)12-16(23-17)25-8-10-27-11-9-25/h4,7,12,14H,2-3,5-6,8-11H2,1H3,(H,21,22,23)",OVLIDRAJVMUEMC-UHFFFAOYSA-N
DB16734,,STG-001,investigational,,,,,,,,ZINC000584619594,CHEMBL4650305,,STG-001,,125482193,OC(=O)CCN1C=CC(=N1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C14H10F6N2O2/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)11-1-3-22(21-11)4-2-12(23)24/h1,3,5-7H,2,4H2,(H,23,24)",WSFKMLQSYRCAQE-UHFFFAOYSA-N
DB16735,2098884-52-5,PAT-1251,investigational,,,,,,,,,CHEMBL4116649,461421,PAT-1251,,122536283,NCC1=CC(=NC(OC2=CC(=CC=C2)C(=O)N2C[C@@H](O)[C@H](F)C2)=C1)C(F)(F)F,"InChI=1S/C18H17F4N3O3/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22/h1-6,13-14,26H,7-9,23H2/t13-,14-/m1/s1",ODGXXYXJORZPHE-ZIAGYGMSSA-N
DB16736,,Allogeneic processed thymus tissue,approved,"['20236866', '33987750', '18155964']",,,,,,,,,,,,,,,
DB16737,,MM3122,experimental,,,,,,,,,,,,,,CC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1,"InChI=1S/C31H39N9O6S/c1-18(41)36-17-26(43)37-22(13-14-25(32)42)28(45)39-23(16-19-8-3-2-4-9-19)29(46)38-21(11-7-15-35-31(33)34)27(44)30-40-20-10-5-6-12-24(20)47-30/h2-6,8-10,12,21-23H,7,11,13-17H2,1H3,(H2,32,42)(H,36,41)(H,37,43)(H,38,46)(H,39,45)(H4,33,34,35)/t21-,22-,23-/m0/s1",ZEPMYXYJCBQSLH-VABKMULXSA-N
DB16738,,Ciltacabtagene autoleucel,experimental,,,,,,,,,,,,,,,,
DB16739,118414-82-7,MK-886,experimental,,,,,,QY7,,ZINC000001536875,CHEMBL29097,50006805,,75390,3651377,CC(C)C1=CC=C2N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C2=C1,"InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)",QAOAOVKBIIKRNL-UHFFFAOYSA-N
DB16740,2093956-19-3,Prolgolimab,experimental,33459118,,,,,,,,,,,,,,,
DB16741,444576-08-3,Bortezomib D-mannitol,approved,,,,,,,,,,,,,12990536,[H][C@@]1(OB(O[C@]1([H])[C@H](O)CO)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=NC=CN=C1)[C@H](O)CO,"InChI=1S/C25H35BN4O8/c1-15(2)10-21(26-37-22(19(33)13-31)23(38-26)20(34)14-32)30-24(35)17(11-16-6-4-3-5-7-16)29-25(36)18-12-27-8-9-28-18/h3-9,12,15,17,19-23,31-34H,10-11,13-14H2,1-2H3,(H,29,36)(H,30,35)/t17-,19+,20+,21-,22+,23+/m0/s1",QDMRNLRJDHCHLB-DNNBANOASA-N
DB16742,135911-02-3,RP-67580,experimental,,,,,,,,,,,,,,,,
DB16743,153050-21-6,Nolpitantium chloride,experimental,,,,,,,,,,,,,,,,
DB16744,132746-60-2,CP-96345,experimental,,,,,,,,,,,,,,,,
DB16745,1467047-91-1,PXT 3003,investigational,,,,,,,,,,,,,71767809,CCOC(=O)C1=CC(NCC2=CC=CC=C2)=C(NC2CCCCC2)N=C1,"InChI=1S/C21H27N3O2/c1-2-26-21(25)17-13-19(22-14-16-9-5-3-6-10-16)20(23-15-17)24-18-11-7-4-8-12-18/h3,5-6,9-10,13,15,18,22H,2,4,7-8,11-12,14H2,1H3,(H,23,24)",WRUIDZKNUAHKTR-UHFFFAOYSA-N
DB16746,,Elivaldogene autotemcel,approved,"['28976817', '22365775']",,D12150,,,,,,,,,,,,,