urdof7 commited on
Commit
58a576c
·
verified ·
1 Parent(s): 24d22cc

Added 158 molecules from epoch 17427 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +158 -0
O15379_molecules.csv CHANGED
@@ -27334,3 +27334,161 @@ rxn:1:7991:59596,CC1(C)OB(C(F)=C2COCC2n2cc(C(=O)N3CCC(c4nc(-c5ccncc5)n[nH]4)CC3)
27334
  rxn:1:820:49710,CC(C)(C)OC(=O)NC1(c2cn(CC3C(c4c[nH]nc4C#N)C3(F)F)nn2)COC1,TYMRNFUJZFKVTQ-UHFFFAOYSA-N
27335
  rxn:1:8503:59596,CC1(C)OB(C(F)=C2COCC2n2cc(C(=O)N3CCOCC(Cc4cccn5nccc45)C3)nn2)OC1(C)C,GPULLDNBNJWLNV-UHFFFAOYSA-N
27336
  rxn:1:9423:58802,CC1(C)CC(NC(=O)OCc2cn(CCCCc3ccnc(Br)c3)nn2)CC(C)(C)N1,PCHNDCSFPXSSBB-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
27334
  rxn:1:820:49710,CC(C)(C)OC(=O)NC1(c2cn(CC3C(c4c[nH]nc4C#N)C3(F)F)nn2)COC1,TYMRNFUJZFKVTQ-UHFFFAOYSA-N
27335
  rxn:1:8503:59596,CC1(C)OB(C(F)=C2COCC2n2cc(C(=O)N3CCOCC(Cc4cccn5nccc45)C3)nn2)OC1(C)C,GPULLDNBNJWLNV-UHFFFAOYSA-N
27336
  rxn:1:9423:58802,CC1(C)CC(NC(=O)OCc2cn(CCCCc3ccnc(Br)c3)nn2)CC(C)(C)N1,PCHNDCSFPXSSBB-UHFFFAOYSA-N
27337
+ 00F7C05BA0F4682B_27B789FB500D48E2_7009_UN,N([S](=O)(=O)C1=C[NH]N=C1)C([C@@H]2C[C@H]2C3=CC=CC(=C3)C)=O,MRQDVKYRTGEGAO-QWHCGFSZSA-N
27338
+ 025BF7EB6D63508E_F0AA2D75CB04749B_7022_UN,CC(C)C1=CC(=C(C=C1)N2C(=O)N(N=N2)C3=CC=CC=C3)C(C)C,MJMOZOVIRIIJDW-UHFFFAOYSA-N
27339
+ 02814F3E27B5240D_405E35B2E42967B7_7009_DP,N([S](=O)(=O)C2=C1N=CC=CC1=CC=C2)C(CCC3CCN3)=O,FKNHPDJWMWSMEX-UHFFFAOYSA-N
27340
+ 02B6EBC65A7B0695_49DA2E8D98321A47_7022_UN,CC(C)C1=CC(=CC=C1)N2C(=O)N(C=N2)C3=CC=NC=C3,RIOFDZYBPQIANE-UHFFFAOYSA-N
27341
+ 02DD31133EF3E716_D90DD30F49E45DF6_6041_UN,CN1C(=O)NC2=C1C=C(C=C2)NCC4=CC=C([N]3C=CN=C3C)C=C4,PWRQHCNKYOIYMN-UHFFFAOYSA-N
27342
+ 031E7CB1D1CCC1B1_649AB6087CB92DF2_7009_UN,CC1=C(C2=C(C=C1)C=CC=N2)[S](=O)(=O)NC(=O)CC3=C[NH]N=C3,IJVSJUIICXYTKN-UHFFFAOYSA-N
27343
+ 0573CEC779FA24DE_0F773541EBBC9096_6031_UN,O(C(=O)C1=CC(=NC(=C1)Cl)C2CC2)CCC3=C(C)C=CC=N3,FOAAFMLVFFZDGY-UHFFFAOYSA-N
27344
+ 06A1B84828ACE2FF_AE07909203137D3C_6029_UN,C=C1CN(CC1)[S](C2=CC=CC(=C2)C#CC(OC)=O)(=O)=O,KVIKHYPTPKGROF-UHFFFAOYSA-N
27345
+ 07D5D3810D7C5C72_33055A8BBC601395_6039_UN,CC1=C(C=CC=C1)C2=CC(=C(C=C2)OCC3=NC(=O)NN3)C,UVLOVNYAIFFPAF-UHFFFAOYSA-N
27346
+ 09B84D88D6A76D7E_E31FAA59D324B1D9_6031_UN,O(C(=O)C1=CC(=NC(=C1)Cl)C2CC2)CCC3=C[N](C)C=N3,JTPMIZJLKXWKGF-UHFFFAOYSA-N
27347
+ 0D9F2FECAE032B6A_397726058742300D_6038_UN,CCOCCN2CC(OC(=O)C1=CC(=C(N=C1)Br)Cl)C2,MRWOJJQSVFDORT-UHFFFAOYSA-N
27348
+ 0EA44E5EF6674B38_6E7EB97EE99E9077_6043_UN,OC1=C(C=C(C=C1)N[S](=O)(=O)C=CC2=CC=CC=C2)O,ZWEBMVXBZNSCGK-UHFFFAOYSA-N
27349
+ 10B5F855295ECA7A_75F7FEA320C4D6BF_7009_DP,N([S](=O)(=O)CCC1=CC=C(C=C1)F)C([C@@H]2[C@H]3C=CN[C@@H]23)=O,WOZAOMXOAOSZLM-JHJVBQTASA-N
27350
+ 10B990C88F7A8DA6_7B015F9293A706EA_6041_UN,CN1C(=O)NC2=C1C=C(C=C2)NCC3=NN=C([N]3C)C4=CC=CC=C4,FQBNLOLVYBJBIO-UHFFFAOYSA-N
27351
+ 10E9B251EA87C0B0_3559764FB5C59578_6031_UN,CC1=C(C=CC(=C1)[N]2C=NC=N2)C(=O)OCC3=CC=C(OC)C=C3,WMVHXCURCSHGBP-UHFFFAOYSA-N
27352
+ 1230F0F84761D955_C0251203D6761BF1_6038_UN,O(CC1=CC=C(C=C1)C2=C[NH]C=N2)C(C4=CC3=C(C=CC(=C3)OC)OC4)=O,ALDSYOTUNSZNNZ-UHFFFAOYSA-N
27353
+ 12BCC929AB4B4954_82EA3571940A795E_6038_UN,O(CCCN1CCC(F)C1)C(C2=CC(=CO2)[S](C)(=O)=O)=O,DKZCTYNKBWLKBW-UHFFFAOYSA-N
27354
+ 145543CAACF25984_1B75A48DC1C6B6AC_6034_UN,CCN1C(=O)N(C2=C1C=CC=C2)CC4=CC=C([N]3N=C(C)C=C3C)C=C4,DHLQZVZYGUKQIB-UHFFFAOYSA-N
27355
+ 15C5CD37D52F4C02_7E3764658996C4D0_7009_DP,N([S](=O)(=O)CCC1=CC=C(C=C1)Br)C([C@@H]2[C@H]3C=CN[C@@H]23)=O,LLIIFMVNRGRSBX-JHJVBQTASA-N
27356
+ 162603316120A889_0AF07DB57EC3D70F_6034_UN,CN1NC(=O)N(C1=O)CC2=C[N](N=C2C3=CC(=C(C)C=C3)C)C4=CC=CC=C4,SIYOFLKLGYRBET-UHFFFAOYSA-N
27357
+ 19104BE8801A59BF_846F84BE10BD00D0_6034_UN,CC1=CC2=C(C=C1)C(=CC(=O)N2CC3=CC=CC(=C3)[N]4N=C(C)C=C4C)C,BEFHDSWBIWGOBJ-UHFFFAOYSA-N
27358
+ 1A1DC5EFC97771DA_FCF46FB1F963E9C3_6041_UN,CC1=NC(=C(C=N1)NC2=CC4=C(C=C2)N=CN(C3=CC=CC=C3)C4=O)C,OISRJNHNBQQJOD-UHFFFAOYSA-N
27359
+ 1AF5FFAC1BF16927_DA791CEF57FD6D30_6038_UN,N(C1=CC=C(C=C1)O[S](=O)(=O)F)C(C23N(C)CC(C2)C3)=O,KKIBESBASYUOTJ-UHFFFAOYSA-N
27360
+ 1C9599F5523BF6CA_412A24C5374D20D8_6038_UN,CC1=NC(=C(C=N1)NC(C3=CC2=C(C=C(C)C=C2)C=C3)=O)C,FXNCHSHERMZTII-UHFFFAOYSA-N
27361
+ 229B48EAA6CE8157_121656B5BD1014E8_6029_UN,N(CC1(C2CCN(C1)CC2)O)[S](C3=CC=C([S](Cl)(=O)=O)S3)(=O)=O,FZDMLZUKGHOJJO-UHFFFAOYSA-N
27362
+ 2345EFCB9633037D_028A0842FD0F0097_7009_DP,N([S](=O)(=O)CC1=CC(=CC=C1)Cl)C([C@@H]2[C@H]3C=CN[C@@H]23)=O,XFVIHDMHQWUVQV-IJLUTSLNSA-N
27363
+ 262C285BFA2FEC1F_FB93D30A7359E3B2_7017_UN,NC1=C(C=C(C=C1)[S](=O)(=O)N3C2(C)CC(C2)(C#N)C3)F,IXROQODLKCEORW-UHFFFAOYSA-N
27364
+ 265EC2A046D72B23_54B81BEE3EB2BB3A_6029_UN,N(CC1(C2CCN(C1)CC2)O)[S](C3=C(Cl)C=CS3)(=O)=O,CZKYHJNKCODYDZ-UHFFFAOYSA-N
27365
+ 279F89A238474737_47E36BBD21951704_6038_UN,CC1=C(N=CC=C1)CCCNC(=O)CN2C=C[S](=O)(=O)C=C2,NVALEMZYIPLYOS-UHFFFAOYSA-N
27366
+ 2B2366D87384BB80_97376679440E47CD_6043_UN,CC1=C(C=CC(=C1)O)N[S](=O)(=O)C=CC2=CC=CC=C2,YBISMNZOAAPBJR-UHFFFAOYSA-N
27367
+ 2C8C01D7C214FFA8_BC9C91C5AEA63B87_6043_UN,C1(=C[NH]N=C1C2=CC=CC=C2)N[S](=O)(=O)C3=CC=C(C=C3)CO,HPTOFCCXHVPYPD-UHFFFAOYSA-N
27368
+ 2E327E9B33C23EA6_AE4D1B26D1A33D0D_6029_UN,CN1C3CCC1CC(N[S](C2=CC(=CN=C2)I)(=O)=O)C3,MJSOAIYPSLTHAK-UHFFFAOYSA-N
27369
+ 2EFCD1ACA7834F36_9ED9EF62A0053137_6038_DP,O(CCCC1=CN=CC=C1)C([C@@H]2C[C@H](CN2)[S](=O)(=O)C)=O,MMQRTKNREGWFHU-OLZOCXBDSA-N
27370
+ 302BD4A057A670F5_2B185641CE677F4E_6031_UN,O(C(=O)COC2=C1N=CC=CC1=C(C=C2)Cl)CC34CCN(CC3)C4,NPLQEJOIUICNAX-UHFFFAOYSA-N
27371
+ 309C74536EA4C7E9_BDDDAD1D84FEAEBD_6034_UN,CN2C(=O)N(C1=C(C=CC=C1)C2=O)CC4=CC=C([N]3N=C(C)C=C3C)C=C4,YEGVXEZFOBMRIX-UHFFFAOYSA-N
27372
+ 30AF850A6EA3C5A3_D1884501896427D5_6034_UN,O=C2C1=C(C=CC=C1)N(C3=C2C=NC=C3)CC5=CC=C(C[N]4N=C(C)N=C4C)C=C5,NJYAXUOXJUYOIW-UHFFFAOYSA-N
27373
+ 33634574FB7B4F50_D78762ED841709AD_6029_UN,CCC1=CC=C(C=C1)C2CN(CCO2)[S](C3=C(F)C=CC4=C3OCO4)(=O)=O,BIFRVRPFGUBKLZ-UHFFFAOYSA-N
27374
+ 343BC9B7E14B8AB0_EB929188C39413F4_7009_DP,N([S](=O)(=O)C=CC1=CC=C(C=C1)F)C([C@@H]2[C@H]3C=CN[C@@H]23)=O,SPVABMUQNUKMAI-JHJVBQTASA-N
27375
+ 358A7951B013704D_62E0D5369D3468E0_6029_UN,CN1CCCN([S]1(=O)=O)[S](C2=C(CCBr)C=CC=C2)(=O)=O,KUEIGVFDZUFJTP-UHFFFAOYSA-N
27376
+ 376DB96A60754004_FE4F66D54D87DA28_6043_UN,C1(=NC=C(C=C1)C#N)N[S](=O)(=O)C2=CC=C(C=C2)CO,YXVRDXCXOOXZBP-UHFFFAOYSA-N
27377
+ 37BE01FD364A73FE_2A23DD64CD8B1D1B_7009_DP,N([S](=O)(=O)C1=C(N=CC=C1)C#N)C(C23CC(CNC2)(F)C3)=O,NJFQSIXZLLAHNI-UHFFFAOYSA-N
27378
+ 3913C14FD00D1734_D816D292F51D7ACA_6034_UN,CC1=CC2=C(C=C1)C(=O)N(C=N2)CC3=CC=CC(=C3)[N]4N=C(C)C=C4C,OEZGOVAPXASRMA-UHFFFAOYSA-N
27379
+ 39F4363C8AAF3160_6BB0D6F47817432F_6043_UN,CC1=C(C=C(C=C1)O)N[S](=O)(=O)C=CC2=CC=CC=C2,OOLYLBJTHXMZTJ-UHFFFAOYSA-N
27380
+ 4195D7A5AC7A11C5_6AB8D0F2F0DB8076_6031_UN,CCOC(=O)CON=C(C(=O)OCCCCF)C1=N[NH]C=C1,JHYOIGUZMWYIIK-UHFFFAOYSA-N
27381
+ 421F08C08E27B5FE_38A6381178702D86_6041_UN,C1(=CC2=C(N=C1)NNC2=O)NC(C3=CC=CC(=C3)OC)C4=CC=CC=C4,CDDNJBUVTCIVLZ-UHFFFAOYSA-N
27382
+ 4637A17850C060AE_77846D39A7197113_6031_UN,O(C(=O)C1=CC=C(C=C1)C[S](=O)(=O)Cl)CC23CN(CC2)CCC3,DFILWWCSUVBRQN-UHFFFAOYSA-N
27383
+ 464A2915F1A8EB83_2018445522782CC1_6029_UN,N(C1=CC(=CC=C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)O)(=O)=O,IFGAUYHEAFCOOV-UHFFFAOYSA-N
27384
+ 4756CF2FC1F6C940_6CE537EC95535183_6031_UN,CC1=N[S](=O)(=O)NC=C1C(=O)OCCN(C)C2=NC=CC=C2,AWRUYPIGMRRUHG-UHFFFAOYSA-N
27385
+ 47A98BCCCDAE8B3E_764491C5A27C4359_6028_UN,C1N(CC=C(C1)C2=CC3=C(C=C2)OCCO3)[S](C4=CC=CC(=C4Cl)C)(=O)=O,XPFCIUIVOFBFKT-UHFFFAOYSA-N
27386
+ 49B3E3124671BA54_E501EF7E97C04E04_6031_UN,O(C(=O)C1CC(=NO1)C2=CC=NC=C2)CC3=C(OC)C(=CC=C3)Br,VWEDNYSCUMTUSK-UHFFFAOYSA-N
27387
+ 4AD3D86B46307B96_E90583EEE960533B_6029_UN,N([N]1C=CC=N1)[S](C2=CC(=C(C=C2)O)C(CC)=O)(=O)=O,WCQHXWRGFBBCFQ-UHFFFAOYSA-N
27388
+ 4C32206E5BCB1042_58C8E7DE807AEC5F_6031_UN,CC1=CC2=C(C=C1)C=C(C=N2)C(=O)OCC3=C[NH]C(=N3)CC4=CC=CC=C4,WNZFAAXKGCHDOI-UHFFFAOYSA-N
27389
+ 4FE6BC787C333F83_3D1FDC20951B3952_6041_UN,CC1=C(C=C(C=C1)N3SC2=C(C=CC=C2)C3=O)NC4=CC=CC(=C4)[N]5N=C(C)C=C5C,GNYNCZPMYFOCMY-UHFFFAOYSA-N
27390
+ 51C43CA85F0EF306_436F11114C90CAEB_6038_DP,N(C1=CC=C(C=C1)O[S](=O)(=O)F)C(C23CNC(C2)C3)=O,HACPGTZQPDWRDE-UHFFFAOYSA-N
27391
+ 534A739E6083BC49_072308A5BF224673_7009_DP,N([S](=O)(=O)C1=C(N=CC=C1)C#N)C(C23CNC(C2)C3)=O,HWWKDRDOYJMSHX-UHFFFAOYSA-N
27392
+ 53539F73963553A9_89A0DA8BB81FC397_7009_DP,N([S](=O)(=O)CC2=C1N=CC=CC1=CC=C2)C(C3C4CCCNC34)=O,XOECWANIPGTBDK-UHFFFAOYSA-N
27393
+ 535946881C922B65_39C15B3051A939BD_7005_UN,[NH]2C1=CC=C(C=C1N=C2C([N]3C(=CC=C3C)C)CC4=CC=CC=C4)C#N,MINIBCSNVOMOTB-UHFFFAOYSA-N
27394
+ 53A0FA80CEA73042_12EB6DA25CA48350_6029_UN,CN1CCCN([S]1(=O)=O)[S](C2=C(P(Cl)Cl)C=CC=C2)(=O)=O,LYDORUXTKHBDIY-UHFFFAOYSA-N
27395
+ 5568E3CE29119D0D_3727798B385720D7_6031_UN,CCOC(=O)CON=C(C(=O)OCCBr)C1=N[NH]C=C1,MMDZSWPQGNBWBF-UHFFFAOYSA-N
27396
+ 5E773CBD5ACDEE63_1418C9189DD11590_6029_UN,OCC1=CCN(CC1)[S](C2=C(C=C(Cl)C=C2)C=C)(=O)=O,IUAHWYRYBDVXBO-UHFFFAOYSA-N
27397
+ 5FB3463B4E56F936_F85962F900E9FE72_7022_UN,CC2=C1N=CC(=CC1=CC=C2)N3N=C(C)N=C(C3=O)CC4=CC=CC=C4,VFANXIWIKKCWFA-UHFFFAOYSA-N
27398
+ 5FBA6523B6777E45_04FD10AE6DBB0A71_6034_UN,CCC2=C(C)N(C1=NC(=N[N]1C2=O)C)CC4=C3C=CC=CC3=C(C=C4)Cl,JYRXZXJFMULDQM-UHFFFAOYSA-N
27399
+ 5FCF7CF4F2CEBBF3_2A7D813052EAB605_7009_UN,N([S](=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(CNO)=O,ZQRHMIAKTYHJAZ-UHFFFAOYSA-N
27400
+ 60B59EE4477417C4_02D6D1341847E004_6031_UN,O(C(=O)C1=CC(=NC(=C1)Cl)C2CC2)CCC3=C(C=NC=C3)Br,SJZXDTIZOCNVKZ-UHFFFAOYSA-N
27401
+ 627AA9A607DB9FD2_5CC20F6D00422359_6038_UN,CCOCCN2CC(OC(=O)C1=NC=C(C(=C1)Cl)Br)C2,XHOSWSVHOLQBBQ-UHFFFAOYSA-N
27402
+ 6355A31814D70601_80CDB51F0EF86DC9_6031_UN,C[N]1C=NN=C1C2=C(C=CC=N2)C(=O)OCC3=C[NH]C4=C3C=CC=C4,OSRLRWDSCGUUBX-UHFFFAOYSA-N
27403
+ 650E5679AA4026E7_7D22D28208F5D603_6034_UN,O=C2N=CC1=C(C=CC=C1)N2CC4=CC=C([N]3N=C(C)C=C3C)C=C4,RBWMQKAMHXYESE-UHFFFAOYSA-N
27404
+ 69DDAE2CF63E90F6_911C8FA6693631DB_7022_UN,CC1=C(C2=C(C=C1)C=CC=C2)N4N=C(C3=C(C)ON=C3C4=O)C,BOLSCWKYFJSFLK-UHFFFAOYSA-N
27405
+ 6B069174BDAFB527_F479E12E2B4573B4_6038_UN,COCC1=CC=C(C=C1)COC(=O)C3=CN2C(=NCC2)C=C3,DOGUATVQXKMJSO-UHFFFAOYSA-N
27406
+ 6B317BA8E3DADC93_19239830C3A9B443_6038_DP,N(C1=CC=C(C=C1)O[S](=O)(=O)F)C(C23CNC(CC2)CC3)=O,BQHYBUBZCUPJHB-UHFFFAOYSA-N
27407
+ 6BA76CC3C3813424_9DCFDE57525973C2_6043_UN,CC1=C(C=C(C=C1)N[S](=O)(=O)C=CC2=CC=CC=C2)O,IKRLGZYEEUFTMG-UHFFFAOYSA-N
27408
+ 6E8DD6EBE7E8B2FF_5654A1B6CE8419D0_6031_UN,O(C(=O)C(F)(F)C1=CNC(=O)NC1=O)CCOCCNCC,URACHMFIUZANOM-UHFFFAOYSA-N
27409
+ 72975311B51C64C8_865BA43B89C18F65_7005_UN,COC1=CC=C5C(=C1)N=C(C2=C[N](N=C2C3=CC=C(C)C=C3)CC4=CC=CC=C4)[NH]5,ZCLOBENPDITFRE-UHFFFAOYSA-N
27410
+ 7389D4E70945B476_6495FBE5ED9C9CBA_6043_UN,OC1=C(C(=CC=C1)N[S](=O)(=O)C=CC2=CC=CC=C2)O,VFFWKSMBXMJXAK-UHFFFAOYSA-N
27411
+ 73D647BC11BC7EF0_3D5C720762897AD1_6043_UN,CC1=C(C(=CC=C1)N[S](=O)(=O)C=CC2=CC=CC=C2)O,NEDQQOOVWZQODY-UHFFFAOYSA-N
27412
+ 766C650A6BF31788_9683C0E3ED83E956_6041_UN,CC1=C(C=C(C=C1)N3SC2=C(C=CC=C2)C3=O)NC4=C(C)[N](N=C4)C5=CC=C(C=C5)C,LAFZQUZZTWPYDI-UHFFFAOYSA-N
27413
+ 76A71512A77FE2D0_08D93A177B9916BC_6029_UN,N(CC1(C2CCN(C1)CC2)O)[S](C3=C(F)C=CC(=C3)C#N)(=O)=O,BQUDJNZNJGJRPG-UHFFFAOYSA-N
27414
+ 7AD5F00CBF25229F_3D0621E5B377E5FD_6029_UN,OC1=CC(=CC=C1)C2CN(CCO2)[S](C3=C(C)C=C(C(=C3)Cl)I)(=O)=O,LSDDNFJQAIXIDG-UHFFFAOYSA-N
27415
+ 7BA2F4B2C731BC15_C9D30B7CD5E24841_7022_UN,CC1=CC(=C(C=C1)C2=CC=CC=C2)N4N=C(C3=C(C)ON=C3C4=O)C,RBWXHSOBBTXYSJ-UHFFFAOYSA-N
27416
+ 80D70165522A8991_7C2A1066175017FB_6029_UN,N(CC12CCN(CC1)CC2)[S](C3=CC(=CC=C3)C4(CC4)C#N)(=O)=O,GBUMPQZSSOAQSN-UHFFFAOYSA-N
27417
+ 82AB93FB79412E89_D549F784A114ADEF_7005_UN,[NH]2C1=CC=CC(=C1N=C2C([N]3C(=CC=C3C)C)CC4=CC=CC=C4)C#N,MVUUOTQVFKDRPB-UHFFFAOYSA-N
27418
+ 85BCEB6AC37DCFA9_6F49AD4B1FB97FB4_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)N2)NC(CC3=CC=CC(=C3)OC)C4=CC=CC=C4,HRJAUJSWYOLJSQ-UHFFFAOYSA-N
27419
+ 8A30C6DC77E52C8D_BBEB0C3C21B6D36C_6038_UN,O(CC2CC1(CC1F)C2)C(C3=CC(=CO3)[S](N)(=O)=O)=O,HSBOQRGBTNLBFE-UHFFFAOYSA-N
27420
+ 8E7AFF17AC71BBCF_7A33A86A627B059F_6029_UN,C1N(C2CN(C1)CCCC2)[S](C3=CC=C([S](F)(=O)=O)S3)(=O)=O,HYFIJYIWVWBIOM-UHFFFAOYSA-N
27421
+ 9204B302BE276984_8FB5534200855340_7009_UN,N([S](=O)(=O)C1CC2CC1C=C2)C(=O)C3=CC=C(O3)[S](=O)(=O)O,UFAOJSBQCZXGPT-UHFFFAOYSA-N
27422
+ 9339A067C0577D4F_1D559D4868796636_7009_UN,N([S](=O)(=O)C1=C(N=CC=C1)C#N)C(=O)C2N3CCN(C2)CC3,WVJGVPQTHSMCNY-UHFFFAOYSA-N
27423
+ 97C7169813D6C3AB_44C1CF4026B80E21_6038_DP,N(C1=CC=C(C=C1)O[S](=O)(=O)F)C(C23CCC(N2)CCC3)=O,LABRWNZCZGTDTB-UHFFFAOYSA-N
27424
+ 98B88D54A4A01FDF_BA59EBC0000C67EC_6043_UN,CC1=CC(=C(C=C1)N[S](=O)(=O)C=CC2=CC=CC=C2)O,NPXQHFWFYHWJNO-UHFFFAOYSA-N
27425
+ 9920CC8E2CC09809_2CE4F9FE8B4CA48A_6041_UN,CC1=NC(=CC(=C1)NC2=CC(=CC=C2)CN4C=NC3=C(C=CC=C3)C4=O)C,MFVIBGWMTYKXAA-UHFFFAOYSA-N
27426
+ 9FDD333ED06129C8_713FD37D1882AE06_6029_UN,OC1=CC(=CC=C1)C2CN(CCO2)[S](C3=C(C=C(Cl)C=C3)C=C)(=O)=O,MTDKHQGFGACRLG-UHFFFAOYSA-N
27427
+ A1FB13C1688A411D_20DBE60851E5BDB2_7009_DP,N([S](=O)(=O)C2=C1C=CC=NC1=CC=C2)C(C3C4CCCNC34)=O,JLTUWSNBHPWWAO-UHFFFAOYSA-N
27428
+ A3272896A37CD24D_D47B893AAAEB178C_7005_UN,CC1=CC=NC4=C1N=C(CCN2C(N(C)C3=C2C=CC=C3)=O)[NH]4,PZWIENCQKQSVLD-UHFFFAOYSA-N
27429
+ A4F10B1C3F1D7868_63F6BACB1FA518D1_6041_UN,C1(=C(C=CC=C1)C3=NC2=C(N=CC=C2)[NH]3)NC(C4=CC=CC(=C4)OC)C5=CC(=CC=C5)OC,BHWMVKZCZUXFKU-UHFFFAOYSA-N
27430
+ A867DCF06DAA5FE6_63EDE35C19AE8EB2_6031_UN,O(C(=O)C1=CC(=CC=C1)C[S](=O)(=O)Cl)CC23CN(CC2)CCC3,YPARAYHCSMVCCM-UHFFFAOYSA-N
27431
+ A974A4D6B359A937_B9BA6800C66B77C8_7022_UN,C2(=C1C=CN=CC1=CC=C2)N4N(C3=NC(C=C(C3=C4C)C)=O)C,FLFJGSWOMGOWMZ-UHFFFAOYSA-N
27432
+ AB6A62EE73AF6193_0005A13196CDB98F_7019_UN,C(CCN1C(=O)NC2=C1C=CC=C2)=CC3=C([N](N=C3C)C4=CC=CC=C4)C,QBZSRFRXEBFKGH-UHFFFAOYSA-N
27433
+ ADBDA6C5DD5E2BC9_57F54B1EB20DA53E_6028_UN,CN1C3CCC1CC(N[S](C2=C(C=CC=N2)Cl)(=O)=O)C3,GJALISKSGMGRRX-UHFFFAOYSA-N
27434
+ AE57C99FC0461299_EAA77DB4DD73FEAC_6041_UN,CC1=N[N](C(=N1)NCC3=CC2=C(C=CC=C2)OC3=O)C,NBJYWUAFQAPPIA-UHFFFAOYSA-N
27435
+ AED9EC7A070FAA4C_B5D935A6BBCCC51A_6038_UN,CCOCCN2CC(OC(=O)C1=C(C(=CN=C1)F)Cl)C2,MRHFRJDBEVCRTE-UHFFFAOYSA-N
27436
+ B11EE4F5525DD845_6C1A82264A09FA67_6039_UN,O(C(C1=CC=CC=C1)C2=NC=CC=C2)CC3=NC(=O)NN3,XDOGJDBEMNECND-UHFFFAOYSA-N
27437
+ B159250DA2C9A40C_4F990DB6569E3425_6031_UN,CCOC(=O)CON=C(C(=O)OCC(=C)Br)C1=N[NH]C=C1,UGLHNIUJCFRIRW-UHFFFAOYSA-N
27438
+ B1CAF4D4013CB0C6_2AA090DA8143EBD8_7009_DP,N([S](=O)(=O)CC1=CC(=CC=C1)Br)C([C@@H]2[C@H]3C=CN[C@@H]23)=O,GLZHEDXGBPBQMV-IJLUTSLNSA-N
27439
+ B6D9C1C0638B3384_20A2B3DBBF04473E_6029_UN,N(CC1(C2CCN(C1)CC2)O)[S](C3=C(F)C=C(C=C3)C#N)(=O)=O,ITWWUAJRMWCQIX-UHFFFAOYSA-N
27440
+ B741EFBF8C2AB5EA_0C3997A7D783D682_7019_UN,C(CCN1C(=O)NC2=C1C=CC=C2)=CC3=N[N](N=C3C)C4=CC=CC=C4,AABNDYTXCZLUJY-UHFFFAOYSA-N
27441
+ B7AA44602A85A396_1AFD214C62D7C0C0_6041_UN,C2(=C1C=CC=C(C1=CC=C2)C#N)NCC[N]3N=C(C)N=N3,BBPRQBSVTPYECB-UHFFFAOYSA-N
27442
+ B9B45F3B9A3BAD22_7F81C82DE03C96D9_6034_UN,O=C(C1=CC=CC=C1)C2=CC3=C(C=C2)N(C=N3)CC4=N[N](C=C4C)C,VXIVLWHYNCGUOR-UHFFFAOYSA-N
27443
+ BBD0AF54A1FDFEFF_4F4D5EEE4A67E49A_6039_UN,O(C(C1=CC=CC=C1)C2=CC=NC=C2)CC3=NC(=O)NN3,UIHXEONTGMVZCX-UHFFFAOYSA-N
27444
+ BFA176A6A82436D1_245827DB61E379EE_6041_UN,C2(=C1C=CC=C(C1=CC=C2)C#N)NCC3=C(N=C(C)N=C3C)C,ZQBAEKUPMGYEGH-UHFFFAOYSA-N
27445
+ C086AD105ED0017D_0C2B5FBB858B322C_6031_UN,CCOC(=O)CON=C(C(=O)OCCI)C1=N[NH]C=C1,UHDFZQRXXZVVAZ-UHFFFAOYSA-N
27446
+ C13F55774F38FF55_2EC8757132A7F184_6034_UN,CC1=CC2=C(C=C1)C=CC(=O)N2CC3=CC=CC(=C3)[N]4N=C(C)C=C4C,WGDIZYCPLHBVSX-UHFFFAOYSA-N
27447
+ C1C0821AFA70A1AD_211E1831CC95D915_6028_UN,CN1C3CCC1CC(N[S](C2=C(C=CC=N2)Br)(=O)=O)C3,LKIXMIWXRBIZJE-UHFFFAOYSA-N
27448
+ C2300368644EFF70_B28DE6EC7365AB09_6026_UN,FC1=C(C2=C(C=C1)OCO2)[S](=O)(=O)N4CCN(C3=CC(=NC=C3)C#N)CC4,HPHHWGQIBKJJLB-UHFFFAOYSA-N
27449
+ C44F80284A0B5986_523CE8136358EF8A_6029_UN,C1N(CC=C(C1)C2=CC3=C(C=C2)OCCO3)[S](C4=CC(=NC(=C4F)C)C)(=O)=O,NIBMWTLHTWZODX-UHFFFAOYSA-N
27450
+ C477209D1F6554C9_A47FF8992A70E935_6038_DP,N(C1=CC=C(C=C1)O[S](=O)(=O)F)C(C23CCC(N2)CC3)=O,KDAJIZSPWZTFSJ-UHFFFAOYSA-N
27451
+ C4B43077F70BD253_1ABBC19C577F40E7_6029_UN,C=C1CN(CCC1)[S](C2=C(C=CC(=C2)OC)[S](=O)(=O)Cl)(=O)=O,ALCKSAXBDRNHHO-UHFFFAOYSA-N
27452
+ C9843AA897709F37_F5C01A0376A04B57_6041_UN,C1(=NC2=C(C=C1)NC(=O)N2)N[C@@H](C)C3=CC=C(C=C3)C4=CC=CC=C4,LZGSNCQFNHXPCJ-ZDUSSCGKSA-N
27453
+ CB82AFD2BC7E134B_68D76F554E9D79E1_7005_UN,COC1=CC=C2C(=C1)[NH]C(=N2)C3=C[N](N=C3C4=CC=C(C)C=C4)C5=CC=CC=C5,OGXOEIHUQCGWLG-UHFFFAOYSA-N
27454
+ CB8D06762B88F3B8_C1D73AB75991A8D8_7009_DP,N([S](=O)(=O)C1=CC(=NC=C1)Cl)C(C23CCC(N2)CC3)=O,VACOPLCBEIWAPX-UHFFFAOYSA-N
27455
+ CBB4763D44BE69ED_B99866EC4632F11A_6034_UN,COC1=CN(C(=NC1=O)C)CC2=CC3=C(C(=C2)Br)C=CC=C3,OAVRPEVNHLEWCZ-UHFFFAOYSA-N
27456
+ CC237708A1225A35_B08B02004AD94B1D_6034_UN,CC1=CN(C(=O)N1C2=CC=C(C=C2)C)CC3=CC=CC4=C3N=N[N]4C,JOXQKJMYHXPVRN-UHFFFAOYSA-N
27457
+ CD4CDD1AE82397FF_506564F5C86DEDDE_7009_DP,N([S](=O)(=O)C=CC1=CC=CC=C1)C(C2=CC=CC(=C2)O)=O,FATSMSVJYVRASQ-UHFFFAOYSA-N
27458
+ CE944AC9A9EE962E_F881D3ACC6A06C4E_7009_UN,N([S](=O)(=O)CC=C(Cl)Cl)C(=O)C1N2CCN(C1)CCC2,ZRIBLYDPYKABNR-UHFFFAOYSA-N
27459
+ D1BDA1A96260E696_CA8B4ACC6404658A_7019_UN,C(CCN1C(=O)NC2=C1C=CC=C2)=CC3=CON=C3C,OBPWXUVSRXWWQP-UHFFFAOYSA-N
27460
+ D2266DD7FBDC1519_21353B37DF3EC246_6039_UN,CC3(CCOCC(C(=C1N(C)C2=C(S1)C=CC=C2)C#N)=O)N=N3,PPVZAPURFPBCGJ-UHFFFAOYSA-N
27461
+ D32FD4D0672DA562_E9C1FED3CDC85D01_6041_UN,C1(=CC=C(C=C1)C2=NNC(=O)N2)NC(C3=CC=CC(=C3)OC)C4=CC(=CC=C4)OC,YMLOTYJMNDBOTL-UHFFFAOYSA-N
27462
+ D370CBAE2995C272_6345B2EF9A1050AB_6041_UN,C2(=C1C=CC=CC1=CC(=C2)C#N)NC4=C([N]3C=C(C)C=N3)[N](N=C4C)C,MCGKRXBULZYCGF-UHFFFAOYSA-N
27463
+ D3D0689536EFC31F_4A67D92B9164C447_7022_UN,CC(C)C1=CC=C(C=C1)N2C(=O)N(C=N2)C3=CC=NC=C3,KRYPMHVOMKGYBR-UHFFFAOYSA-N
27464
+ D45F0FBF51641FAB_D5DF780085053C02_6038_UN,N(C1=CC=C(C=C1)O[S](=O)(=O)F)C(C23CCC(N(C)C)(CC2)CC3)=O,SLCWAECJNDAMDS-UHFFFAOYSA-N
27465
+ D4A124968F55F6F7_42350120F8CD68D4_6038_UN,CC1=NC(=C(C=N1)NC(C3=CC=C2C=CC=CC2=C3C)=O)C,MNZJNRIKWAJJQQ-UHFFFAOYSA-N
27466
+ D65ACA6B58C29D7D_0150601DB4810EA8_7009_DP,N([S](=O)(=O)CC1=CC(=CC=C1)F)C([C@@H]2[C@H]3C=CN[C@@H]23)=O,GHXXZBJOAUULCL-IJLUTSLNSA-N
27467
+ D6D91B1008573236_786A3ED44E46E9A1_7022_UN,CC(C)C1=CC(=CC=C1)N2C(=O)C3=C(C=N2)[N](N=C3)C4=CC=CC=C4,RUYREGDEOHRSKU-UHFFFAOYSA-N
27468
+ D90AFE5788347E31_0127C39253DA5CC7_6038_UN,CCOCCN2CC(OC(=O)C1=CC(=C(N=C1)Cl)Br)C2,TVWJGHLJBRDCJZ-UHFFFAOYSA-N
27469
+ DAD636945453DADC_C8E051A23825DC6F_7009_DP,N([S](=O)(=O)CCC1=CC=C(C=C1)Cl)C([C@@H]2[C@H]3C=CN[C@@H]23)=O,IKCQPVFBBRXCLI-JHJVBQTASA-N
27470
+ DCB410A3873643CB_BAFAE5E617E5B777_6039_UN,COC[C@H](OCC[S](C1=CC=C([N](=O)=O)C=C1)(=O)=O)CC#C,QMQQLNHMINBCEA-CYBMUJFWSA-N
27471
+ DCFABFCEF001F199_F3C14113C5316C50_7009_DP,N([S](=O)(=O)C2=C1N=CC=CC1=CC=C2)C(C3C4CCCNC34)=O,APYCOFOZKLZYFA-UHFFFAOYSA-N
27472
+ E529B2760F8B2E86_9044DE769C8DEDA6_6038_UN,CC1=CC(=CC=C1)C(NC(=O)C2=NC(=O)NN2)C3=CC(=CC=C3)C,XULWCMAHNHPGFH-UHFFFAOYSA-N
27473
+ E5428DB97C97320C_D16BA770F957218A_6038_UN,CCCCC(SC(=O)C(=CC1=CN=C[NH]1)F)C(=O)OC,ASDITTBVVCFPAR-UHFFFAOYSA-N
27474
+ E6A9E9DD6B6D0F0E_5E5B1A14ABE5B088_6043_UN,OC1=C(C(=CC=C1)N[S](=O)(=O)C#CC2=CC=CC=C2)O,AVWOLNPLFDURMV-UHFFFAOYSA-N
27475
+ E790F4098B0DC8B2_2B193367684CAEE2_6038_UN,CC1=NN=C(C(=C1)COC(C3=CC2=C(C=CC=C2)C(N3C)=O)=O)C,MTBPIQFQIQCJNM-UHFFFAOYSA-N
27476
+ E8AC8175BB162D72_C012BF05651C58BE_7009_DP,N([S](=O)(=O)C2=C1N=CC=CC1=CC=C2)C([C@H]3CCN3)=O,OJGGEPXLSVXIMC-SNVBAGLBSA-N
27477
+ E96213F6937BA356_4FDA56C3CCF85A34_6029_UN,N(C1=C(C=CC=C1)C2=CC=CC=C2)[S](C3=CC=CC(=C3)O)(=O)=O,ZBOIDZUBXOZRLQ-UHFFFAOYSA-N
27478
+ E9A0443BDC49A347_C9488AD5D9AB7AD4_6029_UN,C[C@@H]1N(CCN(C1)[S](C2=C(F)C=CC(=C2)C3CO3)(=O)=O)[S](=O)(=O)C,KURCFQRMPQVCPE-NKUHCKNESA-N
27479
+ EA36453AEF4ABE65_76C2003EA7784904_6031_UN,C[N]1C=C(C=N1)C(=O)OCC2=CC=CC(=C2)C3=NC=C(C)C=C3,LWNCAFSZZVHXFY-UHFFFAOYSA-N
27480
+ EA5586927D3AC508_11BA69C9057FF260_6039_UN,O(C(C1=CC=CC=C1)C2=CN=CC=C2)CC3=NC(=O)NN3,QHIIPRPWWNBVQB-UHFFFAOYSA-N
27481
+ EA763199DDF8A1C8_EB12073113757C7F_7019_UN,C(CN1C(=O)OC2=C1C=CC=C2)=CC4=C(C=C([N]3N=C(C)N=C3C)C=C4)C,JHRJZYOLKSWUBO-UHFFFAOYSA-N
27482
+ ED33D858B7B8869D_9D7B8BD8BA6C2BDF_7009_DP,N([S](=O)(=O)C1=C(N=CC=C1)Cl)C(C23CC(CNC2)(F)C3)=O,BHFAUKRSZOWLQN-UHFFFAOYSA-N
27483
+ EDA5381FF724C55D_19C61ACC159B7C93_6029_UN,OC1=CC2=C(C=C1)CN(CCO2)[S](C3=C(C=CC(=C3)F)C=C)(=O)=O,NBYVENFAMZBVCT-UHFFFAOYSA-N
27484
+ EEA2E5E55F9530D9_A7FD5DB0EF9A616A_6034_UN,CC2=NC1=C(C=CC=N1)N(C2=O)CC3=CC=CC(=C3)C4=NC=C(C)C=C4,AZTXQLNAAGWQOJ-UHFFFAOYSA-N
27485
+ F12BECEB1F236834_0622E284CF858EB1_6029_UN,N(CC1(C2CCN(C1)CC2)O)[S](C3=CC(=C(F)C=C3)C#N)(=O)=O,JCERWVZGIGOUNH-UHFFFAOYSA-N
27486
+ F57D860B28629A57_9708BFD958368FB9_6031_UN,CC1=C(C2=C(C=C1)C=CC=N2)C(=O)OCC3=N[NH]C(=C3)C4=CC=CC=C4,JSIFOVYZALHABB-UHFFFAOYSA-N
27487
+ F7CA7F2234C57C0C_576BB791AE255369_7009_DP,N([S](=O)(=O)C1=C(N=CC=C1)Cl)C(C23CCC(N2)CC3)=O,JVAZFPFOKDFZHH-UHFFFAOYSA-N
27488
+ F80C534CFB37ABC6_09B890C38EFC9BF3_7019_UN,C(C3=CC(=O)N2C1=C(C=CC=C1)NC2=N3)=CC4=C([N](N=C4C)C5=CC=CC=C5)C,KIVAYKBWAMUGCD-UHFFFAOYSA-N
27489
+ F8C0233A42C0AC75_323F4CB09AF9E164_7022_UN,C1(=CC=C(C=C1)CN2C=CC=CC2=O)NC3=CC(=CC4=C3C=N[N]4C)C,VDRBJEAUISFBPG-UHFFFAOYSA-N
27490
+ F8E3788B5B129371_3CCC98B0DD93B8DB_7005_UN,COC1=CC2=C(C=C1C)[NH]C(=N2)C4=C3C=CC=CC3=NC(=C4)C5=CC6=C(C=C5)OCCO6,ISTHNVBNMNEYFP-UHFFFAOYSA-N
27491
+ FD0702B3AF801C30_67D9E9ED072FF942_7019_UN,C(CN1C(=O)OC2=C1C=CC=C2)=CC3=CC=CC(=C3)[N]4N=C(C)C=C4C,FKHQEYZDPRKSGY-UHFFFAOYSA-N
27492
+ FD101554C78F7EE5_1BCF0E54FBD207FA_6031_UN,C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CN=C(OC)C=C4,VMUPDDSJCWCKGG-UHFFFAOYSA-N
27493
+ FD5B1900281E46F8_99A799CFDCBF4B92_7017_UN,NC1=C(C=C(C=C1)[S](=O)(=O)N3C2(C)CC(C2)(C#N)C3)Br,SDBFXZLSTDXMMS-UHFFFAOYSA-N
27494
+ FF9E6EE66B59BD5C_20CC60E5E85DD35C_6035_UN,NCC1(C2CCN(C1)CC2)OC3=C(C=C(C)C=C3C)[S](=O)(=O)Cl,AGVWPOQKGXISTH-UHFFFAOYSA-N