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1
urdof7 commited on
Commit
c46adee
·
verified ·
1 Parent(s): c0a7ec2

Added 313 molecules from epoch 17433 for O15379

Browse files
Files changed (1) hide show
  1. O15379_molecules.csv +313 -0
O15379_molecules.csv CHANGED
@@ -28985,3 +28985,316 @@ FBAC218FAD7DF57A_6F56F53B6E1B8142_7009_UN,N([S](=O)(=O)C1=C[NH]C2=C1C=CC(=C2)Cl)
28985
  FC50FC60AC38F833_D89B9C00640B5152_6038_UN,COC1=CC(=CN=C1)NC(=O)C=CC2=CC=C(C=C2)OCC3=CC=NC=C3,NOJHKECEBFXHBL-UHFFFAOYSA-N
28986
  FC84B115D614C6A8_84F2B48C8E03F684_6043_UN,CC(=C)COC1=CC=C(C=C1)N[S](=O)(=O)C3=C2C=C[NH]C2=CC=C3,AEJYVVBSOUUAEU-UHFFFAOYSA-N
28987
  FD733BC67E2A7952_5B615540D2D7192D_6039_UN,CN(C)CCCCCOCC(=O)NNC(=O)C2=CC1=C(C=CC=C1)[NH]2,OBINIEMOVCGUNE-UHFFFAOYSA-N
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
28985
  FC50FC60AC38F833_D89B9C00640B5152_6038_UN,COC1=CC(=CN=C1)NC(=O)C=CC2=CC=C(C=C2)OCC3=CC=NC=C3,NOJHKECEBFXHBL-UHFFFAOYSA-N
28986
  FC84B115D614C6A8_84F2B48C8E03F684_6043_UN,CC(=C)COC1=CC=C(C=C1)N[S](=O)(=O)C3=C2C=C[NH]C2=CC=C3,AEJYVVBSOUUAEU-UHFFFAOYSA-N
28987
  FD733BC67E2A7952_5B615540D2D7192D_6039_UN,CN(C)CCCCCOCC(=O)NNC(=O)C2=CC1=C(C=CC=C1)[NH]2,OBINIEMOVCGUNE-UHFFFAOYSA-N
28988
+ rxn:2:100238:169074,CCC(CC)CN1CC(NC2CCc3c(-c4ccc(C5CCCCC5)cc4)cccc32)C1,WXQILSBVOHNFFB-UHFFFAOYSA-N
28989
+ rxn:2:100331:170280,CCOc1ncccc1-c1ccc2c(c1)C(Nc1c(C3CCCC3)cnn1C(C)C1(C)CC1)CCC2(C)C,OFRXQIDRDNWABC-UHFFFAOYSA-N
28990
+ rxn:2:101009:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C(OC1CCC1)c1ccco1,JUVGTDBDSPOARA-UHFFFAOYSA-M
28991
+ rxn:2:101165:138487,CCC[C@H]1CC[C@H](c2ccc(C(C)Nc3ccc(COCC4CCCCO4)cn3)cc2)CC1,BIRWLIHNUKPYNO-AAMUONOHSA-N
28992
+ rxn:2:101974:111940,CCCc1ccc2c(c1)CCCCC2NC1c2ccccc2CC1N1CCC(CC)CC1,LXHQBAOTHPKQJV-UHFFFAOYSA-N
28993
+ rxn:2:101974:125958,CCCc1ccc2c(c1)C(NC1c3ccccc3CC1N1CCC(CC)CC1)CCCC2,UIDMWFDFDKUOQQ-UHFFFAOYSA-N
28994
+ rxn:2:102573:102365,CC(C)(C)[Si](C)(C)Oc1cccc2c1C(NC(c1noc(C3CC3)n1)C1CCCCC1)CC2,PZVQFPKGBQJFEP-UHFFFAOYSA-N
28995
+ rxn:2:102636:162583,COCCOC1CCC(NC(c2ccc(-c3cnn(S(C)(=O)=O)c3)cc2)C2CC2)CC1,UWUCKWNTLSTFHW-UHFFFAOYSA-N
28996
+ rxn:2:102657:139138,CC(C)c1ccc(C(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C2CCC2)cc1,QMRYHGAZNRDVBH-UHFFFAOYSA-M
28997
+ rxn:2:103054:88564,CN1CC2CC2(c2ccccc2CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])C1,BSHMZTQVSZFSAV-UHFFFAOYSA-M
28998
+ rxn:2:103060:171582,CCCC(C(Nc1c(C)ccc2c1CCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,NQKCAFCFUIWXNG-UHFFFAOYSA-N
28999
+ rxn:2:103274:133895,CC(C)(C)[Si](C)(C)OCC(Nc1c(C2CC2)c(C2CC2)nn1C1CCCC1)c1ccccn1,XGUYDOYGODZCFD-UHFFFAOYSA-N
29000
+ rxn:2:103757:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NCC1OCC3(CC3)c3sccc31)C2,CWQWFHKFZWTYLN-UHFFFAOYSA-M
29001
+ rxn:2:103783:162583,CN(C)CC1CCCCCC1NC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,TYKPDYRJHVZCIE-UHFFFAOYSA-N
29002
+ rxn:2:103807:126600,Cc1ccc(C(C)NC23CCC(CN(C)C4CC4)(CC2)CC3)c(OS(=O)(=O)F)c1,QWARSCKNVIACFK-UHFFFAOYSA-N
29003
+ rxn:2:103891:147968,CCCCC(/N=c1\ncc2c([nH]1)CC(C)(C)CC2=O)NCC1C(c2ccc(OC(C)C)cc2)C1(F)F,KFOGPXUUTNVXLV-UHFFFAOYSA-N
29004
+ rxn:2:104175:148300,COCC1CN(c2ccc(NC(c3ccc4c(c3)COCO4)c3ccc4c(c3)COCO4)cn2)CC1(C)C,LBXFXXPCYQAIGL-UHFFFAOYSA-N
29005
+ rxn:2:104524:166740,CC(=O)n1ncc2ccc(-c3nc(C)c(C(C)NCCCN4CCC(C(C)(F)F)CC4)s3)cc21,CNSJJVOZCUJJLV-UHFFFAOYSA-N
29006
+ rxn:2:104835:127447,CCOCC1(CNC(c2ccncc2)C2CCN(C)CC2)CC2(CC2)C1,NSLZJKGKPCHFDV-UHFFFAOYSA-N
29007
+ rxn:2:104835:148406,CCOCC1(CNC(CC)c2cnc(N3CCc4ccccc4C3)c(C)c2)CC2(CC2)C1,BEYCCVFXHAHBSO-UHFFFAOYSA-N
29008
+ rxn:2:104835:159985,CCOCC1(CNC(CN2CCCC(C)C2)c2ccc3[nH]cnc3c2)CC2(CC2)C1,QZIVFBVLIHGCIY-UHFFFAOYSA-N
29009
+ rxn:2:104835:162085,CCOCC1(CNC(c2cnc[nH]2)c2cccc(C3=NC(C)(C)CO3)c2C)CC2(CC2)C1,LNABMWOVTFELLG-UHFFFAOYSA-N
29010
+ rxn:2:104974:79723,CCC(NCc1cccc(N2CCC(OC)CC2)n1)c1ccc(N2CCN(CC)CC2)nc1C,GBFAWRHIHPYYRG-UHFFFAOYSA-N
29011
+ rxn:2:105453:89797,CCOC1CCN(Cc2ccc(NC(CC3CC3)c3ccc4c(c3)CCCC4)nc2)CC1,UPFWVVLKTWNEEX-UHFFFAOYSA-N
29012
+ rxn:2:105600:73038,CCC(Nc1ccc(N2CCC(OC)CC2)nn1)c1cnc(N2CCN(CC)CC2)cc1C,PVGPWPZKBKYZAG-UHFFFAOYSA-N
29013
+ rxn:2:106441:171582,CCCC(C(Nc1cccc2c1CCN(CC)C2)c1ccc2c(c1)CCCC2)N1CCCC1,UJYUIUJOUAQZOV-UHFFFAOYSA-N
29014
+ rxn:2:106577:139138,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(NC(c1ccco1)C1CCOCC1)C2,UTRRUTCQAXSZMS-UHFFFAOYSA-M
29015
+ rxn:2:107357:165855,CCC(NC(C)(COC)c1ccc2[nH]c(C3CC3)nc2c1)c1ccc(N2CCCCCC2)nc1C,DAXQKBPWGCRQST-UHFFFAOYSA-N
29016
+ rxn:2:107589:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(c4noc(CN(C)C)n4)CCCCCC3)C2(F)F)nc1,JLARLRVKZZSMMI-UHFFFAOYSA-N
29017
+ rxn:2:108064:145705,CC(C)C(NC1CCN(CC2(F)CCCCC2)CC1)c1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1,XCUJHZAJOAPFBM-UHFFFAOYSA-N
29018
+ rxn:2:108912:134111,CCCCC#CC(CC(C)C)NCC(C)(C)N(C)c1n[nH]c(=O)[nH]c1=O,MDFJDMLJLRPVIR-UHFFFAOYSA-N
29019
+ rxn:2:109250:169191,CCC(NOCCC1CCCCN1C1CCCCCC1)c1ccc(-c2cnc3[nH]ccc3c2)cc1C,KALYYMCGTWJIGR-UHFFFAOYSA-N
29020
+ rxn:2:109296:139138,CC12CN3CN(C1)CC(c1ccncc1)(C3)C2NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,XRZFHEKAJULGGA-UHFFFAOYSA-M
29021
+ rxn:2:109303:136378,CN(C)CCOc1ccncc1NC1CCN(CCOS(C)(=O)=O)CC1,PNZWAWMDGBMNCG-UHFFFAOYSA-N
29022
+ rxn:2:109579:170280,CCCCC1CCC(c2cc(NC3CCC(C)(C)c4ccc(-c5cccnc5OCC)cc43)[nH]n2)CC1,ZTYTVXSQIUKGJJ-UHFFFAOYSA-N
29023
+ rxn:2:109919:113993,CCC(CC)(NC1CC(C)(C)Oc2c1ccc(OC)c2OC)c1nc(C(C)C)cc(=O)[nH]1,ZOJWODGTFDPHAG-UHFFFAOYSA-N
29024
+ rxn:2:110020:126170,CCCC(C(Nc1ccc2c(c1)N(CCC)CCC2)c1ccc2c(c1)CCC2)N1CCCC1,NCYNEWYXPUFUQJ-UHFFFAOYSA-N
29025
+ rxn:2:110020:171582,CCCC(C(Nc1ccc2c(c1)N(CCC)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,DFPNVUBUURMXKR-UHFFFAOYSA-N
29026
+ rxn:2:110172:126600,Cc1ccc(C(C)NCc2cc(C3CCC3)nn2C2CCCCC2)c(OS(=O)(=O)F)c1,JRCJVEQWVRDBNA-UHFFFAOYSA-N
29027
+ rxn:2:110254:139310,CC1CC(C)Oc2cc(C(C)NCC3CC(OS(C)(=O)=O)C3)ccc2O1,FBGACTCROQJJRU-UHFFFAOYSA-N
29028
+ rxn:2:111216:113562,CC(Nc1ncccc1COCC1CCOCC1)c1ccc2c(c1)C(C(C)C)CCC2(C)C,FOANYMMFQVRNMD-UHFFFAOYSA-N
29029
+ rxn:2:111216:134221,CCC(Nc1ncccc1COCC1CCOCC1)c1cnc(N2CCN(C)CC2)cc1C,SUIBELXTSZTYEH-UHFFFAOYSA-N
29030
+ rxn:2:111534:132367,COc1ccc(C(NC(c2ccc(C(C)(C)C)cc2C)C2CCCC2)C2CCCC2)cc1,YVNBJVPJJXQSBN-UHFFFAOYSA-N
29031
+ rxn:2:111538:149788,CC(N[C@H]1CC[C@H](OS(C)(=O)=O)CC1)c1cccc(-c2ccnc(N3CCOCC3)c2)n1,IOBGJYXKLNZKPC-DASMUKNDSA-N
29032
+ rxn:2:112327:85031,CCOC1CCC(C(C)NC(c2ccccc2C2CC2)C2(C)CC2)CC1,DDHJDSACHHAODF-UHFFFAOYSA-N
29033
+ rxn:2:112489:126170,CCCC(C(Nc1cc2c(cc1OC1CCC1)OCO2)c1ccc2c(c1)CCC2)N1CCCC1,ZAMWBMGXQIFZQG-UHFFFAOYSA-N
29034
+ rxn:2:112507:169120,CCCC(NCCN1CCC2(CC1)CC(OC)CCO2)c1ccc(-c2cccc3[nH]ccc23)cc1,RBLYMKGPMOILNU-UHFFFAOYSA-N
29035
+ rxn:2:112631:142220,COc1ccc2c(c1)C(NCC(c1ccc3c(c1)CCO3)N1CCCCC1)CC(C)(C)O2,LSYGPTDJYMXBSO-UHFFFAOYSA-N
29036
+ rxn:2:112706:126170,CCCC(C(Nc1ccc(OCC2CCCCC2)cc1)c1ccc2c(c1)CCC2)N1CCCC1,GBPGRYWTNQUTEA-UHFFFAOYSA-N
29037
+ rxn:2:113186:168561,COc1cccc(C(N(C)C)C(C)(C)NC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)c1,KCBCKBXZTOHKMH-UHFFFAOYSA-N
29038
+ rxn:2:113197:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cn(CC2CCC2)nc1C1CCCC1,MRQUSIMEDSQGQP-UHFFFAOYSA-N
29039
+ rxn:2:113632:130197,CCC(Nc1cc(N2CCN(C)CC2)nc(C2CC2)n1)c1ccc(N2CCN(C)CC2)nc1C,UJASHPHWYKLHNS-UHFFFAOYSA-N
29040
+ rxn:2:113632:134221,CCC(Nc1cc(N2CCN(C)CC2)nc(C2CC2)n1)c1cnc(N2CCN(C)CC2)cc1C,CPEUCHALAQEDCO-UHFFFAOYSA-N
29041
+ rxn:2:114076:73038,CCOC1CCN(c2ccncc2NC(CC)c2cnc(N3CCN(CC)CC3)cc2C)CC1,AIHKNLSNCRLEAB-UHFFFAOYSA-N
29042
+ rxn:2:114076:79723,CCOC1CCN(c2ccncc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2C)CC1,UQPBAHLWCQOQKU-UHFFFAOYSA-N
29043
+ rxn:2:114642:130348,CCS(=O)(=O)OC[C@H]1CCC(NC2C3(C)CN4CN(C3)CC2(c2cccs2)C4)C1,VEUUNTQNMSPTET-YLYLWOGYSA-N
29044
+ rxn:2:114748:144237,CC(=O)c1cncc(C2C(CSC(C)NCc3cn(CC(C)C)c(=O)[nH]c3=O)C2(F)F)c1,OQKULVXMGYYPFN-UHFFFAOYSA-N
29045
+ rxn:2:115849:130197,CCOCC1CN(c2ncccc2NC(CC)c2ccc(N3CCN(C)CC3)nc2C)CC1C,VFBIZRWIFWTZAN-UHFFFAOYSA-N
29046
+ rxn:2:115952:79723,CCC(Nc1ccc(N2CCC(C)(COC)CC2)nc1)c1ccc(N2CCN(CC)CC2)nc1C,KPCYFMGWUFXUSW-UHFFFAOYSA-N
29047
+ rxn:2:116127:141891,Cc1ccc(C(NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)C2CCCCC2)cc1,XOZJLWZOAUUHPX-UHFFFAOYSA-N
29048
+ rxn:2:116221:171582,CCCC(C(Nc1ccccc1C1CCC(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,UZAQBXYEWMADJG-UHFFFAOYSA-N
29049
+ rxn:2:116252:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NCc1cc(C2CCCC2)n(C2CCCC2)n1,DHEAWADLPGXWNR-UHFFFAOYSA-N
29050
+ rxn:2:116360:70685,CC(C)CN1CC2CN(C)CC(NC3CC(S(=O)(=O)F)C3)(C1)C2(F)F,GIIVVHPQDVBQDV-UHFFFAOYSA-N
29051
+ rxn:2:116821:126170,CCCC(C(Nc1cnc(OCC2CCN(C)CC2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,AEILLXBUARUVBQ-UHFFFAOYSA-N
29052
+ rxn:2:116994:124978,CN(CC1CCCCCC1NC1CCC[C@H](c2ccccc2)C1)CC(C)(C)C,LOKBYHRYCDHDKM-XKBRHGKYSA-N
29053
+ rxn:2:117000:126170,CCCC(C(NC1CCN(c2ccccc2C)CC1)c1ccc2c(c1)CCC2)N1CCCC1,HKLXONJJLCDSRE-UHFFFAOYSA-N
29054
+ rxn:2:117417:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1cccn1C1C2CC3CC(C2)CC1C3,QPZYYYOGTGDRTR-UHFFFAOYSA-M
29055
+ rxn:2:117742:73038,CCC(Nc1cccnc1N1CCCC(OC)C1)c1cnc(N2CCN(CC)CC2)cc1C,IMTKJMFACMCXEU-UHFFFAOYSA-N
29056
+ rxn:2:117825:141711,CCOCC1CCCN(c2ncccc2NC(CC)c2cnc(N3CCN(CC)CC3)c(C)c2)C1,CEYPLSUZQPNOJZ-UHFFFAOYSA-N
29057
+ rxn:2:117893:146272,CCC(NC1CCc2cc(-c3ccc4c(c3)OCCCO4)ccc21)c1cnc(N2CCN(C)CC2)cc1C,NSNVJXMKDNQJOE-UHFFFAOYSA-N
29058
+ rxn:2:117955:132769,CCC(NC(c1ccccc1)c1ccc(OC)cc1)C(N1CCCN(C)CC1)C(C)(C)C,SYYBJSHWFGZAQO-UHFFFAOYSA-N
29059
+ rxn:2:118714:154180,CS(=O)(=O)C1CCN(CCNC2COc3cc(-c4cnn(S(C)(=O)=O)c4)ccc32)CC1,CQEJXIUNOOICAT-UHFFFAOYSA-N
29060
+ rxn:2:120285:126170,CCCC(C(Nc1ccccc1CN1CCC(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,YEWZMZJTVROKCS-UHFFFAOYSA-N
29061
+ rxn:2:120404:105145,CCOCC1CCN(c2nc(NC(CC)c3ccc(N4CCC5(CC4)CC5)cc3)cs2)CC1,YWBPMDPYDVOUIF-UHFFFAOYSA-N
29062
+ rxn:2:120404:86695,CCOCC1CCN(c2nc(NC(CC)c3ccc(N4CCN(CC)CC4)nc3)cs2)CC1,OVUCOFPKXYAZDD-UHFFFAOYSA-N
29063
+ rxn:2:120777:166079,CC(NCC1CN1c1ccc2c(c1)OCO2)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,OPKYJAUTDNNQLT-UHFFFAOYSA-N
29064
+ rxn:2:120784:122030,CCOCC1CCN(c2ccccc2NC(c2ccn(CC3CCC3)n2)C(C)C)CC1,VDDNHJNWQVUPQV-UHFFFAOYSA-N
29065
+ rxn:2:121079:120481,CC(C)(CNCC(C1CCCC1)S(C)(=O)=O)Oc1cccc(S(C)(=O)=O)c1,SWPZSSCXZLULME-UHFFFAOYSA-N
29066
+ rxn:2:122650:160527,CCOC1CC(C(C)NC(c2ccc(-c3ccn(C4COC4)n3)cc2)C(C)C2CC2)C1,ZGFYRCJIIFPXGY-UHFFFAOYSA-N
29067
+ rxn:2:122755:160820,CCC(CC)CN1CCCC(NC2CCC(c3ccc4c(c3)CCCC4)n3cccc32)C1,ROYPOLBRYPSWBT-UHFFFAOYSA-N
29068
+ rxn:2:122755:170704,CCC(CC)CN1CCCC(NC2CCCc3c(-c4cccc(C5CC5)c4)cccc32)C1,LJTCFUVFHZROCA-UHFFFAOYSA-N
29069
+ rxn:2:122755:171575,CCC(CC)CN1CCCC(NC2CCCc3ccc(-c4ccccc4C4CC4)cc32)C1,NWMIBXBVWVRFEK-UHFFFAOYSA-N
29070
+ rxn:2:122755:172152,CCC(CC)CN1CCCC(NC2CCc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc32)C1,IQOUXDJCODFTBV-UHFFFAOYSA-N
29071
+ rxn:2:123036:103772,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1cccc(CN2CCC2)c1)C1CCCC1,FNICKIIQZQTDFO-UHFFFAOYSA-N
29072
+ rxn:2:123036:147134,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(-c2ccnn2CC)cc1)C(C)C1CC1,UVTLOXHEKVMJIH-UHFFFAOYSA-N
29073
+ rxn:2:123036:147693,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(C#CN1CCCCC1)c1ccc2c(c1)CCC2,LLLKQJGMCQKGEZ-UHFFFAOYSA-N
29074
+ rxn:2:123036:164110,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccc(-c2cnccc2OC)cc1)C(C)C1CC1,HUJIMDVGHDCCPI-UHFFFAOYSA-N
29075
+ rxn:2:123036:172083,CCOc1nc(N2CCC(C)(C)CC2)ccc1NC(c1ccccc1)c1ccc(N2CCCCCC2)nc1C,FKXAHENCIZCTTA-UHFFFAOYSA-N
29076
+ rxn:2:123405:132413,COC1CN(c2ccc(NC(C#CN3CCOCC3)c3cccc(C)c3)cc2)CC1OC,LAMLAJWUPKROKA-UHFFFAOYSA-N
29077
+ rxn:2:123880:138753,CC(C)c1ccc(C(COC2CCC2)NC2CC3(CCC(C)(C)CC3)C2)cc1,OHHIHIWFBGOSRE-UHFFFAOYSA-N
29078
+ rxn:2:124085:171582,CCCC(C(Nc1cc(OC)cc(N2CCOCC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,BTHJJXXBCBWBGZ-UHFFFAOYSA-N
29079
+ rxn:2:124113:126170,CCCC(C(Nc1ccc2c(c1)N(CC)CCC2)c1ccc2c(c1)CCC2)N1CCCC1,LFGDROQZAXNMRU-UHFFFAOYSA-N
29080
+ rxn:2:124113:171582,CCCC(C(Nc1ccc2c(c1)N(CC)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,OKWSTRQCRVIQSB-UHFFFAOYSA-N
29081
+ rxn:2:125231:171582,CCCC(C(Nc1ccc2c(c1)CN(C)CC2)c1ccc2c(c1)CCCC2)N1CCCC1,XWMFEHZDIOKJRY-UHFFFAOYSA-N
29082
+ rxn:2:125329:172373,CCCC(C(NC[C@@]12CCCN1C[C@H](OC)C2)c1ccc2ccccc2c1)N1CCCC1,FYVNNDHTZRZVHD-INOUNFLJSA-N
29083
+ rxn:2:125690:171570,CCOCC(C)N1CCC(NC2CCC(c3ccc(-c4ccc5c(c4)CCO5)cc3)CC2)CC1,QGLCHUZOTQQCOZ-UHFFFAOYSA-N
29084
+ rxn:2:125693:168561,COc1ccc(C(N(C)C)C(C)(C)NC(C#CN2CCCCC2)c2ccc3[nH]c(=O)[nH]c3c2)cc1,GASQQTAOBJGATD-UHFFFAOYSA-N
29085
+ rxn:2:125999:139138,COc1ccc(C)cc1C1CCN(CCNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,SNQWLBHAWYDICI-UHFFFAOYSA-M
29086
+ rxn:2:126076:139138,CN(C)C(c1cccnc1)C1CCC(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)CC1,UZGKFIPZGSKQFC-UHFFFAOYSA-M
29087
+ rxn:2:126625:133895,CC(C)(C)[Si](C)(C)OCC(NCc1c(C2CCC2)n[nH]c1C1CCCC1)c1ccccn1,QHNDFHZQAGPWPE-UHFFFAOYSA-N
29088
+ rxn:2:127012:137294,CCCCC1CCC(c2cc(NC(CC)c3ccc(N4CCC(F)CC4)cc3)ncn2)CC1,KGYFCTWLBZKCJQ-UHFFFAOYSA-N
29089
+ rxn:2:127150:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NCC1CCC(CN(C)C)CC1)CC2,OXFMCBPHOZHZCW-UHFFFAOYSA-N
29090
+ rxn:2:127968:171388,CCC1(O[Si](C)(C)C(C)(C)C)CCC(NCC(c2cc[nH]c2)c2ccc3[nH]c(=O)[nH]c3c2)CC1,QYEOYEUVQLUNCC-UHFFFAOYSA-N
29091
+ rxn:2:128199:139138,COc1cccc(C2(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)COCCN2C)c1,OFFVRTNAVOVDTD-UHFFFAOYSA-M
29092
+ rxn:2:128822:153662,CCc1ccc(C(NCCOC2CCS(=O)(=O)C2)C23CN4CN(CN(C4)C2)C3)cc1,MANPUWDSESHNKM-UHFFFAOYSA-N
29093
+ rxn:2:129343:125295,CN1CC2CCCC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,XPHAKYYBLVBBBL-UHFFFAOYSA-N
29094
+ rxn:2:130059:130197,CCOCc1cc(N2CCC(NC(CC)c3ccc(N4CCN(C)CC4)nc3C)CC2)ncn1,OGCMTPPENSEXSO-UHFFFAOYSA-N
29095
+ rxn:2:130329:171582,CCCC(C(Nc1ccc2c(c1)N(CCC)CC2)c1ccc2c(c1)CCCC2)N1CCCC1,PECHRKXWQPGTNI-UHFFFAOYSA-N
29096
+ rxn:2:130519:171582,CCCC(C(NC1CN(C)Cc2ccc(C)cc21)c1ccc2c(c1)CCCC2)N1CCCC1,KMUNWBFFDWKBTP-UHFFFAOYSA-N
29097
+ rxn:2:131120:171582,CCCC(C(Nc1cnc(OC2CCCN(C3CC3)C2)nc1)c1ccc2c(c1)CCCC2)N1CCCC1,WWPHVEXPDURULW-UHFFFAOYSA-N
29098
+ rxn:2:131170:139138,COc1cccc(OC)c1[C@@H](NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)C1CC1,MPEVZZMGTNVKQA-JNCASGANSA-M
29099
+ rxn:2:131357:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3ccc(C4CCN(C)CC4)nc3OC(C)C)C2(F)F)c1,WTWSSYDKAONFGF-UHFFFAOYSA-N
29100
+ rxn:2:131772:139138,CC(NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1cccc(OC2CCCC2)c1,OAYBIJGXXTZLQH-UHFFFAOYSA-M
29101
+ rxn:2:132133:171582,CCCC(C(Nc1ccc(C2CCC(CC)CC2)cc1)c1ccc2c(c1)CCCC2)N1CCCC1,SMPPSDREMVCNOS-UHFFFAOYSA-N
29102
+ rxn:2:132392:126170,CCCC(C(Nc1ccc2c(c1)CN(C)CCC2)c1ccc2c(c1)CCC2)N1CCCC1,XXUZBMBGPGDSLR-UHFFFAOYSA-N
29103
+ rxn:2:132684:126600,Cc1ccc(C(C)NC2COCCC2N2CCCC2)c(OS(=O)(=O)F)c1,FBEIFPCJQSSMRH-UHFFFAOYSA-N
29104
+ rxn:2:132989:126600,Cc1ccc(C(C)NCC2CCN(c3ccc(C(C)(C)C)nn3)CC2)c(OS(=O)(=O)F)c1,SRIQCCLPPBWWLW-UHFFFAOYSA-N
29105
+ rxn:2:133138:132608,COc1ccc2c(c1)C(Nc1c(C3CCC3)c(C3CC3)nn1C1CCC1)CCC2(C)C,OKEJCEUMYRZSRF-UHFFFAOYSA-N
29106
+ rxn:2:133138:138576,COc1ccc2c(c1)C(Nc1c(C3CCC3)c(C3CCC3)nn1C1CC1)CCC2(C)C,IVAVVVRBWGQKBZ-UHFFFAOYSA-N
29107
+ rxn:2:133419:168837,Cc1cc2c(cc1-c1cnn(S(C)(=O)=O)c1)C(NC(c1n[nH]c(=O)[nH]1)C1C3CC4CC(C3)CC1C4)CC2,IKTDOVFFOHECSB-UHFFFAOYSA-N
29108
+ rxn:2:133629:159903,CCOC1CCC(N2CCC(NC(c3ccc4c(c3)CCO4)c3ccccc3C)CC2)CC1,CGYJXPCJMNGYQJ-UHFFFAOYSA-N
29109
+ rxn:2:134212:130197,CCOCC1CCN(c2ccc(NC(CC)c3ccc(N4CCN(C)CC4)nc3C)cn2)C1,VDVRIGZJLWYNDT-UHFFFAOYSA-N
29110
+ rxn:2:134221:165509,CCC(Nc1ccc2c(c1)c(OCC1CCCO1)nn2C)c1cnc(N2CCN(C)CC2)cc1C,IADWBLKUVZGTRP-UHFFFAOYSA-N
29111
+ rxn:2:134642:126170,CCCC(C(NC1CCN(c2ccccc2CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,ZNTCZJWRGGRKLK-UHFFFAOYSA-N
29112
+ rxn:2:134986:126600,Cc1ccc(C(C)NC2CCC(Cc3nnc(C)n3C3CC3)CC2)c(OS(=O)(=O)F)c1,NXBNAJZHXRZXSU-UHFFFAOYSA-N
29113
+ rxn:2:135011:85031,CCOC1CCCCCCC1NC(c1ccccc1C1CC1)C1(C)CC1,MYJVCEYCBKUIEC-UHFFFAOYSA-N
29114
+ rxn:2:135355:139138,CCC12CC3CC(C1)CC(CC(C)NC1CC4CCC1(CS(=O)(=O)[O-])C4(C)C)(C3)C2,NTLKUGLJRGEEHC-UHFFFAOYSA-M
29115
+ rxn:2:135604:126170,CCCC(C(NCc1ccc(C2CC2)c(OC)n1)c1ccc2c(c1)CCC2)N1CCCC1,OBRZBQTUVHTGGU-UHFFFAOYSA-N
29116
+ rxn:2:135975:171582,CCCC(C(Nc1cccnc1N1CCN(CC)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,HFBBUJMRGIFFDN-UHFFFAOYSA-N
29117
+ rxn:2:136167:126600,CCc1nc(N2CCC(NC(C)c3ccc(C)cc3OS(=O)(=O)F)CC2)nc2c1CCO2,MWDXVZRAFBXYSA-UHFFFAOYSA-N
29118
+ rxn:2:136446:139138,CC(C)(C)N1CC2CCC(C1)C2NC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,SGNQGZFYPODLDQ-UHFFFAOYSA-M
29119
+ rxn:2:136635:124940,CC(C)N1CCC(NC2COc3c2cccc3S(C)(=O)=O)CC1c1ccc2c(c1)OCO2,AEVGZRPHNWFTSZ-UHFFFAOYSA-N
29120
+ rxn:2:136737:73038,CCOCC1CCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)cc3C)cc2)CC1,XELFQFXPOMQNHH-UHFFFAOYSA-N
29121
+ rxn:2:136737:82872,CCOCC1CCN(c2ccc(NC3CCC(OCC4CC4)CC3)cc2)CC1,ZWVQWAJGXCZLFH-UHFFFAOYSA-N
29122
+ rxn:2:136954:130958,CCC(C)(CNC1c2ccccc2CC1CC1CCCC1)OC1CCC1,FJMQEGSNRIHJJE-UHFFFAOYSA-N
29123
+ rxn:2:136954:171550,CCC(C)(CNC1CCC(c2ccc(-c3cccc4c3OCO4)cc2)CC1)OC1CCC1,OCTWYKBQKNSWAX-UHFFFAOYSA-N
29124
+ rxn:2:137127:126170,CCCC(C(Nc1ncccc1OCC1CCOCC1)c1ccc2c(c1)CCC2)N1CCCC1,KWRDWDIHERGEOW-UHFFFAOYSA-N
29125
+ rxn:2:137262:126170,CCCC(C(Nc1cnn(COC2CCCC2)c1)c1ccc2c(c1)CCC2)N1CCCC1,MBVPIKIBYLBPDA-UHFFFAOYSA-N
29126
+ rxn:2:137559:139138,Cc1cccc(OC2CCOCC2)c1CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C,QOSOISIPDBPTLP-UHFFFAOYSA-M
29127
+ rxn:2:137630:75862,COCc1cccc(N2CCC(NC(COC3CCCC3)c3ccc4c(c3)OCO4)CC2)c1,KCZGUNZVSQHCCF-UHFFFAOYSA-N
29128
+ rxn:2:138431:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3cn(CC4CCCC4)c(=O)[nH]c3=O)C2(F)F)nc1,NYAUFKLUWCEIQE-UHFFFAOYSA-N
29129
+ rxn:2:138487:168561,O=c1[nH]c2ccc(C(C#CN3CCCCC3)Nc3ccc(COCC4CCCCO4)cn3)cc2[nH]1,BJYAMSSKPICKQJ-UHFFFAOYSA-N
29130
+ rxn:2:139096:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3[nH]nc4c3CN(CCN(C)C)CC4)C2(F)F)nc1,HOZKKAZBFXHULJ-UHFFFAOYSA-N
29131
+ rxn:2:139182:139138,CN(C1CCOCC1)C(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccco1,SKAGIORCTWAJPP-UHFFFAOYSA-M
29132
+ rxn:2:140087:111979,CCC(Nc1cn(CC(C)OC)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,BELSFZNRNATULX-UHFFFAOYSA-N
29133
+ rxn:2:140107:106594,CC(C1CCCC1)n1nc(C2CCC2)cc1CNC1CC2(F)CCC1(C)C2(C)C,XNCQHPHMBAGCDF-UHFFFAOYSA-N
29134
+ rxn:2:140181:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCC(C(N(C)C)C(C)(C)C)CC1,KIORXMACRADRHX-UHFFFAOYSA-N
29135
+ rxn:2:140371:126170,CCCC(C(NCc1cc2c(s1)CN(C)CC2)c1ccc2c(c1)CCC2)N1CCCC1,BEBNMZJGYNMZEH-UHFFFAOYSA-N
29136
+ rxn:2:140909:155396,CC(=O)c1ccc(C2C(CSC(C)Nc3cn(CCN(C)C)c(=O)[nH]c3=O)C2(F)F)nc1,VULRDZNVRWNCJB-UHFFFAOYSA-N
29137
+ rxn:2:141144:171582,CCCC(C(NC1CCN(Cc2cccn2C)CC1)c1ccc2c(c1)CCCC2)N1CCCC1,IWHLPARSEMPECC-UHFFFAOYSA-N
29138
+ rxn:2:141435:168232,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1ccc(N2CCc3ccccc3C2)nc1C,SNKDTLYLMAKDAP-UHFFFAOYSA-N
29139
+ rxn:2:141435:169230,CCC(Nc1ccc(N2CCC(C)C2)nc1OCC(C)C)c1cnc(N2CCCc3ccccc32)cc1C,UNAFZJDLXWBPRZ-UHFFFAOYSA-N
29140
+ rxn:2:141699:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3sc(N4CCCN(C)CC4)nc3C)C2(F)F)nc1,UIYXKBLPWHBXLQ-UHFFFAOYSA-N
29141
+ rxn:2:142094:162583,COC1C2CC1CN(CCNC(c1ccc(-c3cnn(S(C)(=O)=O)c3)cc1)C1CC1)C2,ZKYLFVBPFMCLFP-UHFFFAOYSA-N
29142
+ rxn:2:142475:169615,CCCCSC(=N)C(F)(F)c1ccc2c(c1)C(Nc1nc3[nH]c(OC)c(OC(C)C)c(=O)n3n1)CC2,MBZZXRKXXGLANL-UHFFFAOYSA-N
29143
+ rxn:2:147775:126170,CCCC(C(Nc1c2c(nc3c(OC)cccc13)CCCCC2)c1ccc2c(c1)CCC2)N1CCCC1,QEGJAGTWBVXYOJ-UHFFFAOYSA-N
29144
+ rxn:2:147801:73038,CCC(NCc1ccc2cc[nH]c2c1N1CCN(C)CC1)c1cnc(N2CCN(CC)CC2)cc1C,NIPIIYXHUWVZQS-UHFFFAOYSA-N
29145
+ rxn:2:154590:126170,CCCC(C(NC1CC(c2nccc3c2ccn3C)CN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,UDFDVTHRKLDRID-UHFFFAOYSA-N
29146
+ rxn:2:154914:73038,CCC(Nc1ccc(N2CCN(C)CC2)c2ccncc12)c1cnc(N2CCN(CC)CC2)cc1C,SZKYQAGJCMGHRH-UHFFFAOYSA-N
29147
+ rxn:2:156468:172545,CC(C)C(=O)/N=c1\[nH]c2ccc(NC(C)c3ccc(C(F)(F)C(=N)SC4CCCC4)cn3)cc2s1,CQDYLKFEHLFUTL-UHFFFAOYSA-N
29148
+ rxn:2:156985:73038,CCC(Nc1ccc(N2CCCOCC2)c2cccnc12)c1cnc(N2CCN(CC)CC2)cc1C,DCFCINVZVWIECQ-UHFFFAOYSA-N
29149
+ rxn:2:157582:115389,CCC(C(Nc1ccc2[nH]c3c(c2c1)CN(CC)CC3)c1ccc2c(c1)CCCC2)N1CCCC1,PTXDSGMDHSNIIB-UHFFFAOYSA-N
29150
+ rxn:2:158492:73038,CCC(NCC(C)C(c1ccc2oc(=O)[nH]c2c1)N(C)C)c1cnc(N2CCN(CC)CC2)cc1C,NVVKLELTCKTMGT-UHFFFAOYSA-N
29151
+ rxn:2:165994:171582,CCCC(C(Nc1c(OC)ccc2[nH]c3c(c12)CCC3)c1ccc2c(c1)CCCC2)N1CCCC1,ADSFOPWEAGBRJD-UHFFFAOYSA-N
29152
+ rxn:2:166055:126170,CCCC(C(NC1CC(c2cc3ncccc3n2C)CN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,DQAYGMUWUQSMML-UHFFFAOYSA-N
29153
+ rxn:2:166055:71152,CCOC1CCN(CC(NC2CC(c3cc4ncccc4n3C)CN(C)C2)c2ccccc2)CC1,ZJSYFKIQBGJXMC-UHFFFAOYSA-N
29154
+ rxn:2:166503:130197,CCC(NCCCCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(N2CCN(C)CC2)nc1C,LDSSBQDQQPYUPU-UHFFFAOYSA-N
29155
+ rxn:2:65991:121836,COc1ccc2c(c1)C(Nc1c(C3CCC3)c(C3CC3)nn1C1CCCC1)CC2(C)C,GWLAUBDRXZDLIF-UHFFFAOYSA-N
29156
+ rxn:2:66038:110254,CC1CC(C)Oc2cc(C(C)NC3CCC(OS(C)(=O)=O)CC3)ccc2O1,IUISMQCQLSXXHG-UHFFFAOYSA-N
29157
+ rxn:2:66344:73038,CCC(Nc1cccnc1OCC1CC(F)C1)c1cnc(N2CCN(CC)CC2)cc1C,RNMAGHQSGFYXNC-UHFFFAOYSA-N
29158
+ rxn:2:66407:151262,CCC(NC1c2ccccc2C2CN(C)CCN2c2ncccc21)c1ccc(N2CCN(C)CC2)nc1C,PWMMWDCMWLJBMZ-UHFFFAOYSA-N
29159
+ rxn:2:66407:81090,CCC(NC(C)c1ccc(N2CCN(C)CC2)s1)c1ccc(N2CCN(C)CC2)nc1C,OAULZWRAEUZKDO-UHFFFAOYSA-N
29160
+ rxn:2:66575:171582,CCCC(C(Nc1cc2c(cc1C)CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,NNYDSXOZRZBMDI-UHFFFAOYSA-N
29161
+ rxn:2:66965:106953,CC(NC(C1CCCCC1)C1CCCCC1)c1ccc(C(C)(C)C)cc1,UWLLMCDXSJVAMV-UHFFFAOYSA-N
29162
+ rxn:2:66994:130197,CCOCC1CCCCN1c1ncccc1NC(CC)c1ccc(N2CCN(C)CC2)nc1C,GHDOAEQGCCLYRF-UHFFFAOYSA-N
29163
+ rxn:2:67602:141891,Cc1ccc(OCC2CCC2)c(NC(c2ccc(C)c(C(C)(C)C)c2)C2CCCCC2)c1,BOAASZITWDJCHJ-UHFFFAOYSA-N
29164
+ rxn:2:68426:126170,CCCC(C(Nc1ncn(COC2CCCC2)n1)c1ccc2c(c1)CCC2)N1CCCC1,OJVAIDROGZKPCB-UHFFFAOYSA-N
29165
+ rxn:2:68612:171582,CCCC(C(Nc1c2c(nn1CC)CCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,KJCSUGNBFNDIGU-UHFFFAOYSA-N
29166
+ rxn:2:68813:71294,CON(C)C(CNC(C)c1c[nH]c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,NIAZUCGFHXVOLC-UHFFFAOYSA-N
29167
+ rxn:2:69256:121836,COc1ccc2c(c1)C(Nc1c(C3CC3)c(C3CCC3)nn1C1CCCC1)CC2(C)C,QIHQLFGYPDIYMX-UHFFFAOYSA-N
29168
+ rxn:2:69415:106970,CC(C)c1cc(NC2CCN(c3cc(N4CCCC4)ncn3)CC2)ccc1OS(=O)(=O)F,KIZNCXJVQMTXHC-UHFFFAOYSA-N
29169
+ rxn:2:69415:119453,CC(C)c1cc(NC2CCN(c3cc(C4CCOCC4)ncn3)CC2)ccc1OS(=O)(=O)F,QHKJLOCZCRSNNU-UHFFFAOYSA-N
29170
+ rxn:2:69415:122188,CC(C)c1cc(NC2CCN(c3ncc(C4CCOCC4)cn3)CC2)ccc1OS(=O)(=O)F,CIVWVELJDQEZKU-UHFFFAOYSA-N
29171
+ rxn:2:69415:68624,CC(C)c1cc(NC2CCN(c3cc(C4CCCC4)ncn3)CC2)ccc1OS(=O)(=O)F,FTOWWXPIOFJVCW-UHFFFAOYSA-N
29172
+ rxn:2:69429:112215,CCC(C(Nc1ccnn1C1CCN(CC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,FIRVWGYMONAVIU-UHFFFAOYSA-N
29173
+ rxn:2:69566:87271,CCOS(=O)(=O)C[C@]12CC[C@H](CC1NCC1(N(C)C)CN3CCC1CC3)C2(C)C,HRRSVIHYNRATEP-JJZDCNPZSA-N
29174
+ rxn:2:70018:79402,CN1CCC(c2ccnc(C3CCC(NCc4cccc(CN=S(C)(C)=O)c4)CC3)n2)C1,BHUGENCJXJNACR-UHFFFAOYSA-N
29175
+ rxn:2:70359:88302,CC(C)(C)OC1CC(NC(c2ccc(C(C)(C)C)cc2)C2CCCC2)C1,XTKOOKOSLFXSGH-UHFFFAOYSA-N
29176
+ rxn:2:71645:109946,CCC(C(NCC1(OC)CCS(=O)(=O)C1)c1ccccc1)N1CCOCC1,OANRVIRREHGBOI-UHFFFAOYSA-N
29177
+ rxn:2:71873:133681,COc1cccc2c1C(Nc1c(C3CC3)c(C3CC3)nn1C1CCCCC1)CC2(C)C,USGKBTUVFDMQAW-UHFFFAOYSA-N
29178
+ rxn:2:71901:110033,CCOCC1CCCN1c1ncccc1NC(C)c1sc(N2CCN(CC)CC2)nc1C1CC1,ISXJDVBJZJNBKO-UHFFFAOYSA-N
29179
+ rxn:2:71901:73038,CCOCC1CCCN1c1ncccc1NC(CC)c1cnc(N2CCN(CC)CC2)cc1C,FCJSNAWFTLNUDG-UHFFFAOYSA-N
29180
+ rxn:2:71954:141176,CCOCC1CCCN(c2nc(NC(c3cccc(CN4CCN(C)CC4)c3)C3CCC3)cs2)C1,SGDUFPVLNMKGEH-UHFFFAOYSA-N
29181
+ rxn:2:72120:143109,CC(C)CC(Nc1[nH]nc2c1CN(CCCN(C)C)CC2)c1ccc2c(c1)nc(C1CC1)n2C,UHTOPYDZXFIIFQ-UHFFFAOYSA-N
29182
+ rxn:2:72765:144237,CC(=O)c1cncc(C2C(CSC(C)Nc3cn(COC(C)C)c(=O)[nH]c3=O)C2(F)F)c1,HXISEIRAKSAQRT-UHFFFAOYSA-N
29183
+ rxn:2:73038:111216,CCC(Nc1ncccc1COCC1CCOCC1)c1cnc(N2CCN(CC)CC2)cc1C,WHLXHUQUFJTQBD-UHFFFAOYSA-N
29184
+ rxn:2:73080:79402,COc1ccc(NC2CCC(c3nccc(C4CCN(C)C4)n3)CC2)cc1OS(=O)(=O)F,YBOANWJBGDBJHI-UHFFFAOYSA-N
29185
+ rxn:2:73435:171582,CCCC(C(Nc1cc2c(cc1OCC1CC1)OCO2)c1ccc2c(c1)CCCC2)N1CCCC1,IHKJWCBBXXFSEF-UHFFFAOYSA-N
29186
+ rxn:2:73437:83198,COS(=O)(=O)C[C@@]12CC[C@@H](CC1NCC1(F)CN3CCC1CC3)C2(C)C,KNIQKIZAYYSHHG-YQBZFSLMSA-N
29187
+ rxn:2:73519:112351,CC(C1CCC1)n1nc(C2CC2)cc1NC(COCC1CCOC1)c1cccn1C,OLCNIPHIFQDEGO-UHFFFAOYSA-N
29188
+ rxn:2:73537:114642,CCS(=O)(=O)OC[C@H]1CCC(NCC(c2ccsc2)N2CC3CCC2C3)C1,WNFQSODPCFFFBZ-OHJGJUJKSA-N
29189
+ rxn:2:73538:77973,CC#CCC(NC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1)c1ccccc1C,FEOBGPNFIIYTSF-UHFFFAOYSA-N
29190
+ rxn:2:73568:160422,CN1CCC(N(C)Cc2ccnc(NC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)c2)CC1,LSUWXQZDDSCEHV-UHFFFAOYSA-N
29191
+ rxn:2:73700:83860,CN(C1CCC(Nc2cccc(OS(=O)(=O)F)c2)CC1)C1CCS(=O)(=O)C1,XABAVUUWULMQOA-UHFFFAOYSA-N
29192
+ rxn:2:74006:125295,O=S(=O)(F)CC1CC(Nc2cc(COC34CC5CC(CC(C5)C3)C4)[nH]n2)C1,JDMDLGCADKRQFI-UHFFFAOYSA-N
29193
+ rxn:2:74601:147839,COC1CCCCCCC1NC(c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2,JNJKRYRKWMTMIN-UHFFFAOYSA-N
29194
+ rxn:2:75130:122026,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCCCC3)nc2C)CC1,VNOJKTFGPWFJEQ-UHFFFAOYSA-N
29195
+ rxn:2:75130:134417,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCOCC3)nc2C)CC1,URPUCVXYDBHPNT-UHFFFAOYSA-N
29196
+ rxn:2:75130:86695,CCOCC1CCN(c2ncccc2NC(CC)c2ccc(N3CCN(CC)CC3)nc2)CC1,FADAVMBFQIZHLH-UHFFFAOYSA-N
29197
+ rxn:2:75223:117858,COCC1CCCN(c2ccc(NC3CCC(c4cc(C(C)C)ccc4C)CC3)cc2)C1,SLFKMJHKVIZWIE-UHFFFAOYSA-N
29198
+ rxn:2:75279:164321,CCOCCC1(NC(c2ccc(-c3ccc4[nH][nH]c(=O)c4c3)cc2)C(C)C)CCC(C(C)(C)C)CC1,FTOWMVHOQXWEJO-UHFFFAOYSA-N
29199
+ rxn:2:75372:141176,CCOCC1CCCN(c2nc(NC(c3ccc(CN4CCN(C)CC4)cc3)C3CCC3)cs2)C1,AAWRGSDUTKPGSW-UHFFFAOYSA-N
29200
+ rxn:2:75469:139138,CC1CCN(CCOc2ccc(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)cc2)CC1,OGXOXOZLRROGIF-UHFFFAOYSA-M
29201
+ rxn:2:75505:126170,CCCC(C(Nc1cnc(OCC2CCCN(C)C2)nc1)c1ccc2c(c1)CCC2)N1CCCC1,XSDQQRBQAZKBAQ-UHFFFAOYSA-N
29202
+ rxn:2:76140:120891,CCOCC1(c2ccc(NC3CCC(C4CCC(C)(C)CC4)CC3)cc2)CC1,VJZTZQSWKZQFDV-UHFFFAOYSA-N
29203
+ rxn:2:76219:126170,CCCC(C(Nc1ccc2c(c1)CN(CC)CC2)c1ccc2c(c1)CCC2)N1CCCC1,YMLYEYUQPPTZJZ-UHFFFAOYSA-N
29204
+ rxn:2:76219:171582,CCCC(C(Nc1ccc2c(c1)CN(CC)CC2)c1ccc2c(c1)CCCC2)N1CCCC1,YITVYYRXVZWDDO-UHFFFAOYSA-N
29205
+ rxn:2:76309:112657,CN1CCC(c2ccc(N3CCC(NC(C)(C)COCC4COc5ccccc5O4)C3)nn2)C1,XWKITJLKPRWNFM-UHFFFAOYSA-N
29206
+ rxn:2:76532:149812,C=C=Cc1cncc(C(NCCCN2CCC3(CC2)CC(OC)CCO3)c2ccccc2)c1,QUWMGFUUQUBMJP-UHFFFAOYSA-N
29207
+ rxn:2:76567:166079,CC(Nc1ccc(OC2CCCN(C)C2)nn1)c1ccccc1OC1CS(=O)(=O)CC1N(C)C,LXHFMUVOZWNZAJ-UHFFFAOYSA-N
29208
+ rxn:2:76706:139138,CSc1ccc(C(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C2(C)CC2)cc1,HVVNSAHJWYZGRG-UHFFFAOYSA-M
29209
+ rxn:2:76744:115829,CCCC1CCN(c2cccc(NC(CCC3CCCC3)c3ccc4c(c3)CCC4)c2C)CC1,FMBZNNACNXGVEC-UHFFFAOYSA-N
29210
+ rxn:2:77215:88564,CC1CCC(CNC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])(N(C)Cc2ccco2)CC1,ILBMYDXDFDONAF-UHFFFAOYSA-M
29211
+ rxn:2:77220:88200,COCC1CN(c2ccc(NC(CN3CCCCC3)c3ccc4c(c3)OCO4)cc2)CC1(C)C,QXFSHCWKJFHTGN-UHFFFAOYSA-N
29212
+ rxn:2:77782:82932,COn1cc(C(C)NCC(C)(N(C)C)C23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O,HRGBOHJZZAAOHK-UHFFFAOYSA-N
29213
+ rxn:2:77837:171582,CCCC(C(Nc1ccc2c(c1)CCN(CCC)C2)c1ccc2c(c1)CCCC2)N1CCCC1,UYSITVCYICPRSC-UHFFFAOYSA-N
29214
+ rxn:2:79160:126170,CCCC(C(NC(C)(C)Cc1c[nH]c2cc(OC)ccc12)c1ccc2c(c1)CCC2)N1CCCC1,PZRRTEMBDLMZKI-UHFFFAOYSA-N
29215
+ rxn:2:79351:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC(C)(c1noc(C2CC2)n1)C1CCCCC1,QKMNGGHSZNIOPW-UHFFFAOYSA-N
29216
+ rxn:2:79368:171582,CCCC(C(Nc1cccc2c1CCN(C)C2)c1ccc2c(c1)CCCC2)N1CCCC1,UYOLZHKYNYUVLZ-UHFFFAOYSA-N
29217
+ rxn:2:79530:126170,CCCC(C(Nc1ccc(OC)cc1N1CCCC1)c1ccc2c(c1)CCC2)N1CCCC1,GWYJAVZMPCITLO-UHFFFAOYSA-N
29218
+ rxn:2:79800:153098,CC(C)c1cc(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)nc(-c2cccnc2)n1,CGKHASNPKBSOCM-UHFFFAOYSA-N
29219
+ rxn:2:79800:157696,CC(C)c1nc(-c2ccccn2)cc(N2CCC(NCCS(=O)(=O)N=S(C)(C)=O)CC2)n1,AHITXTNPEZNCNV-UHFFFAOYSA-N
29220
+ rxn:2:79865:169074,CCC(CC)CN1CCC(NC2CCc3c(-c4ccc(C5CCCCC5)cc4)cccc32)C1,URKCVALERHRPEG-UHFFFAOYSA-N
29221
+ rxn:2:80340:126170,CCCC(C(Nc1ccc2c(c1)CC1(CCN(C)CC1)O2)c1ccc2c(c1)CCC2)N1CCCC1,ZXPYZLDSBWYPPQ-UHFFFAOYSA-N
29222
+ rxn:2:81455:143818,CC(CC(c1ccc2[nH]c(=O)[nH]c2c1)N(C)C)NC1CCCCCC1N(C)CCc1ccccn1,ZEMXZTPTQUKRPD-UHFFFAOYSA-N
29223
+ rxn:2:81872:142220,COc1ccc2c(c1)C(NC1(c3ccc4c(c3)OCCCO4)CCOCC1)CC(C)(C)O2,MLUWDXUWURLPFD-UHFFFAOYSA-N
29224
+ rxn:2:81873:117273,CC(NCC1(S(=O)(=O)C2CC2)CC1)SCC12CC(=O)CC(CN(C)C1)C2(F)F,HHLCCXNHEMYXMG-UHFFFAOYSA-N
29225
+ rxn:2:82269:155396,CC(=O)c1ccc(C2C(CSC(C)NCc3c(C(C)C)n(C)c(=O)[nH]c3=O)C2(F)F)nc1,ZMZIOROFRNGZRP-UHFFFAOYSA-N
29226
+ rxn:2:82304:134027,CCC(COCC1CCCO1)Nc1ccc(C2CCN(C3CC3)C2)cc1,OKKVDKLDERZRII-UHFFFAOYSA-N
29227
+ rxn:2:82495:128520,COC(CNC(c1ccc(C(C)(C)C)cc1)C1CCCN1C)C1CCCC1,AJLCFAPJMCOODE-UHFFFAOYSA-N
29228
+ rxn:2:82725:112001,CCCCC(NCC(c1cccnc1)N1CCC(OC)CC1)c1ccc2c(c1)CCCC2,GUCLCAHHPKSBOB-UHFFFAOYSA-N
29229
+ rxn:2:82740:139138,Cc1ccc(C2(C(C)CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)COC2)o1,WPOHMAUJTVABOV-UHFFFAOYSA-M
29230
+ rxn:2:82909:171582,CCCC(C(Nc1cc(OC)cc(C2CCOCC2)c1)c1ccc2c(c1)CCCC2)N1CCCC1,XHIHNUIVEMLTIW-UHFFFAOYSA-N
29231
+ rxn:2:82920:99520,CCC(C)CN(C)CC1CCCCCC1Nc1cc([C@@H]2C[C@H]2F)[nH]n1,LYTAAEJVJMINMD-PXUJOYAKSA-N
29232
+ rxn:2:83328:171582,CCCC(C(NC(CC)CN1CCCc2ccccc21)c1ccc2c(c1)CCCC2)N1CCCC1,KWDBDIBFRDPJIU-UHFFFAOYSA-N
29233
+ rxn:2:83448:74747,CN(C)C(CNC1C[C@H]2CC[C@]1(CS(=O)(=O)[O-])C2(C)C)C12CCC(CC1)C2,GAXGKHINGPSUOC-NJQGCFHDSA-M
29234
+ rxn:2:83562:73038,CCC(NCc1cccnc1N1CCC(OC)CC1)c1cnc(N2CCN(CC)CC2)cc1C,JTLASGVAERFFRK-UHFFFAOYSA-N
29235
+ rxn:2:83663:91472,COc1cccc(OC(C)NC[C@@H]2C[C@H](F)CN2Cc2noc(C)n2)c1C(=O)C(C)C,LUHKJMXDRFUSMH-HGVHAKBWSA-N
29236
+ rxn:2:83726:113483,CCCC(COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCN(C1CCCC1)CC2,TXJXEVCBRDNYNH-UHFFFAOYSA-N
29237
+ rxn:2:83726:137535,CCC(C)(C)OCC(Nc1ccc2c(c1)CCN(C1CCCC1)CC2)c1ccc(C)cc1C,BQCVYRBTUDLUHH-UHFFFAOYSA-N
29238
+ rxn:2:83900:131811,CCCCC1CC(C(Nc2cccc(N3CCC(N(C)C)CC3)c2)c2ccnn2C)C1,NMPAUWPFMPDXBR-UHFFFAOYSA-N
29239
+ rxn:2:84594:137567,CN(C1CCC(NC2CC3(C2)CC(C)(C)C3)CC1)C(C)(C)C,ZWGDPSYZCARMBX-UHFFFAOYSA-N
29240
+ rxn:2:84594:84681,CN(C1CCC(NCC2(C3CC3)CC2)CC1)C(C)(C)C,HQXBSNQTRLRCQW-UHFFFAOYSA-N
29241
+ rxn:2:84985:139138,CN(Cc1cccc(CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)c1)C1CCCCCC1,YYCRLDPUDUSWMN-UHFFFAOYSA-M
29242
+ rxn:2:85354:170280,CCOc1ncccc1-c1ccc2c(c1)C(NC(CC)C(c1cccnc1)N1CCCCC1)CCC2(C)C,XHDAQGIZJKVORY-UHFFFAOYSA-N
29243
+ rxn:2:85452:144092,CCC(CC)CN1CCC(NC2CCc3cc(-c4cccc5c4CCC5)ccc3C2)CC1,GVWUBAXQQZCGPP-UHFFFAOYSA-N
29244
+ rxn:2:85452:169401,CCC(CC)CN1CCC(NC2CCc3c(-c4cccc5c4CCCC5)cccc32)CC1,UEVQNOVZBYZBDM-UHFFFAOYSA-N
29245
+ rxn:2:85452:169732,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4ccc5c(c4)CCCC5)cc32)CC1,IOHJAZUESREFGS-UHFFFAOYSA-N
29246
+ rxn:2:85452:170704,CCC(CC)CN1CCC(NC2CCCc3c(-c4cccc(C5CC5)c4)cccc32)CC1,JDOQWJNVFRQVMR-UHFFFAOYSA-N
29247
+ rxn:2:85452:171123,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4cccc5c4CCCC5)cc32)CC1,AIYBGWWRPYUMCU-UHFFFAOYSA-N
29248
+ rxn:2:85452:171447,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4cccc(C5CC5)c4)cc32)CC1,AKESAONGKWHNQM-UHFFFAOYSA-N
29249
+ rxn:2:85452:171575,CCC(CC)CN1CCC(NC2CCCc3ccc(-c4ccccc4C4CC4)cc32)CC1,ZPBPIFQRGJPSGN-UHFFFAOYSA-N
29250
+ rxn:2:85452:172152,CCC(CC)CN1CCC(NC2CCc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc32)CC1,MNYVRKSKZHSBMT-UHFFFAOYSA-N
29251
+ rxn:2:85873:171582,CCCC(C(Nc1c2c(cc3c1CCC3)CCC2)c1ccc2c(c1)CCCC2)N1CCCC1,TWWWJODRKJZMNT-UHFFFAOYSA-N
29252
+ rxn:2:85978:149786,CCCC1CCC2(CC1)CCC(NC1c3cccc4cccc(c34)CC1(C)C)CC2,ORHAACAWQNEVIH-UHFFFAOYSA-N
29253
+ rxn:2:86554:91416,CC1CCC(N(C)C(CNC2CC3CCC2(CS(=O)(=O)F)C3(C)C)c2ccncc2)CC1,OAGXIAFXVCQFTD-UHFFFAOYSA-N
29254
+ rxn:2:86802:126600,Cc1ccc(C(C)NCCN2CCOC3(CCC3)C2)c(OS(=O)(=O)F)c1,PWNVKLLBNQHVTG-UHFFFAOYSA-N
29255
+ rxn:2:87384:161729,CC(NC1CC(N(C)C(C)(C)C)C12CCC2)c1cnc(-c2ccnc(OC3CC3)c2)s1,PGUSKEQWLLRDOV-UHFFFAOYSA-N
29256
+ rxn:2:87384:90094,CN(C1CC(NC2CC[C@H]3CC[C@@H]23)C12CCC2)C(C)(C)C,SWTDOILAETXWMP-LIHZJYIUSA-N
29257
+ rxn:2:87906:173184,CO[C@H]1CCN(C2CCC(NC(c3ccc(C(C)(C)C)cc3)c3ccccc3C)CC2)C1,SMZKTATWDIAWCO-IXFIPQRSSA-N
29258
+ rxn:2:88302:105829,Cc1ccc(C(NC(c2ccc(C(C)(C)C)cc2)C2CCCC2)C2CCCCC2)c(C)c1,PEBWPZCKMCVQNV-UHFFFAOYSA-N
29259
+ rxn:2:88302:111827,Cc1cccc(C)c1C(NC(c1ccc(C(C)(C)C)cc1)C1CCCC1)C1CCCCC1,XMAAEPSCMKVCGE-UHFFFAOYSA-N
29260
+ rxn:2:88564:102493,Cc1cccc(C(COC2CCOCC2)NC2C3(C)CCC4C3(C)COC42S(=O)(=O)[O-])c1,BSISSJKPSOHHQM-UHFFFAOYSA-M
29261
+ rxn:2:88564:115759,Cc1ccccc1C(CN1CCOCC1)NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-],GISBKLNQAXESOH-UHFFFAOYSA-M
29262
+ rxn:2:88564:139128,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NCC1CCC2C(CC1)C2(F)F,OXKGOBJLGAAPIZ-UHFFFAOYSA-M
29263
+ rxn:2:88564:149920,CC1CC1(NC1C2(C)CCC3C2(C)COC31S(=O)(=O)[O-])c1ccc2[nH]c(=O)oc2c1,JMJQCNVODCJGNK-UHFFFAOYSA-M
29264
+ rxn:2:88564:161369,CC12COC3(S(=O)(=O)[O-])C1CCC2(C)C3NC1(c2ccc3[nH]c(=O)oc3c2)COC1,NACYXYDMVCLPAC-UHFFFAOYSA-M
29265
+ rxn:2:88759:125295,CCN1CC2CSCC(NC3CC(CS(=O)(=O)F)C3)(C1)C2(F)F,SQWWYIMPMGQVTM-UHFFFAOYSA-N
29266
+ rxn:2:89089:124654,O=S(=O)(F)c1ccc(C2CC2CCNC2CCCc3nc(N4CCSCC4)ncc32)cc1,YXNLKOPHQHABRT-UHFFFAOYSA-N
29267
+ rxn:2:89245:105166,CCC(C)(CNC1CC(c2ccccc2)C12CC2)OC1CCC(C)CC1,HENODBVZRHYWEM-UHFFFAOYSA-N
29268
+ rxn:2:89734:153325,CC(C)(C)N1CC[C@@](F)(CNC2CCC(n3cc(-c4ccc(C5CC5)nc4)cn3)CC2)C1,LMFNBFQUIZNXSB-QGPIEZSZSA-N
29269
+ rxn:2:89734:157566,CC(C)(C)N1CC[C@@](F)(CNC(c2ccc(-c3cnn(C4CCC4)c3)cc2)C2CC2)C1,NBADLRQDMHBIOU-JUERFOTFSA-N
29270
+ rxn:2:89768:126170,CCCC(C(Nc1cc(C)ccc1N1CCC(OCC)CC1)c1ccc2c(c1)CCC2)N1CCCC1,IJLPFJCOBBPUNM-UHFFFAOYSA-N
29271
+ rxn:2:90058:126170,CCCC(C(NC(c1cncc(OC)c1)C1CC1)c1ccc2c(c1)CCC2)N1CCCC1,VMTOLCZKJNRLIR-UHFFFAOYSA-N
29272
+ rxn:2:90259:122593,CC(COCC1CCCCC1)NC(c1ccccc1C1CC1)C(C)(C)C,NBZSCNLRUJEXOF-UHFFFAOYSA-N
29273
+ rxn:2:90592:82872,CCCC1CCC(c2ccc(NC3CCC(OCC4CC4)CC3)cc2)CC1,HQQWHPMOYFDPKX-UHFFFAOYSA-N
29274
+ rxn:2:90967:126170,CCCC(C(Nc1cccnc1OC1CCCN(C)C1)c1ccc2c(c1)CCC2)N1CCCC1,HUIPJCRPCBHUSH-UHFFFAOYSA-N
29275
+ rxn:2:91081:171582,CCCC(C(Nc1ccc2c(c1)CCN(CC)C2)c1ccc2c(c1)CCCC2)N1CCCC1,ATQSMKFXDKSQDE-UHFFFAOYSA-N
29276
+ rxn:2:91416:105479,CC(CNC1CC2CCC1(CS(=O)(=O)F)C2(C)C)(c1cccs1)N1CCOCC1,BUODHDICCUVFTJ-UHFFFAOYSA-N
29277
+ rxn:2:91754:104092,COc1c(C(NC(c2cccnc2)C2CCCCCC2)C2CC2)cc(C)cc1C(C)(C)C,CFLXAKCWDQMKIU-UHFFFAOYSA-N
29278
+ rxn:2:91863:139138,CC1CCCC1(CNC1CC2CCC1(CS(=O)(=O)[O-])C2(C)C)c1ccc2c(c1)OCO2,ZLSYDUWXBDJBGG-UHFFFAOYSA-M
29279
+ rxn:2:94092:139138,CC(C)N(C)CC12CCC(NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)(CC1)CC2,ZXZYGDUSPRQCOD-UHFFFAOYSA-M
29280
+ rxn:2:94427:136378,CC(F)(CNC1CCN(CCOS(C)(=O)=O)CC1)c1ccc2c(c1)OCCO2,OBUAKWUHKGJMHZ-UHFFFAOYSA-N
29281
+ rxn:2:94781:139138,Cc1ccc(C2(CC(C)(C)NC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)COC2)o1,MDGDRRPDIQUSHP-UHFFFAOYSA-M
29282
+ rxn:2:95631:139138,COc1ccc(C2(CNC3CC4CCC3(CS(=O)(=O)[O-])C4(C)C)CC2)nc1,AJCRRGKJSLIIOL-UHFFFAOYSA-M
29283
+ rxn:2:95986:114712,CC#CC1(F)CC(NC(c2ccc(CN3CCN(C)CC3)cc2)C2CC2)C1,YWISZARMZCFHGV-UHFFFAOYSA-N
29284
+ rxn:2:96143:155396,CC(=O)c1ccc(C2C(CSC(C)NC3(CN(C)C)COC3)C2(F)F)nc1,JIHAYMXHOZQEDU-UHFFFAOYSA-N
29285
+ rxn:2:96182:139138,CC1CC(C)(C)CC(Cc2cccs2)(NC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,XIDOLXKRVIFGMO-UHFFFAOYSA-M
29286
+ rxn:2:96223:168561,CC(NC(C#CN1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1CN1CCN(C)CC1,NCZIDPYEZYZSQO-UHFFFAOYSA-N
29287
+ rxn:2:96507:86695,CCOCC1CCN(c2ccc(NC(CC)c3ccc(N4CCN(CC)CC4)nc3)cn2)CC1,RXYNPKRSJUIQDH-UHFFFAOYSA-N
29288
+ rxn:2:97185:171582,CCCC(C(Nc1ccc(CC)c2c1CCCC2)c1ccc2c(c1)CCCC2)N1CCCC1,MDXPPBAQUFSKPU-UHFFFAOYSA-N
29289
+ rxn:2:97227:122030,CCOCC1CCCN(c2ccc(NC(c3ccn(CC4CCC4)n3)C(C)C)cn2)C1,OAENDCHGRNYCNP-UHFFFAOYSA-N
29290
+ rxn:2:97227:141711,CCOCC1CCCN(c2ccc(NC(CC)c3cnc(N4CCN(CC)CC4)c(C)c3)cn2)C1,NFGDFDZIEWOLEA-UHFFFAOYSA-N
29291
+ rxn:2:97227:154947,CCOCC1CCCN(c2ccc(NC(CN3CCC(N(C)C)CC3)c3c[nH]c4ccccc34)cn2)C1,JVDTTWYVFZIDDG-UHFFFAOYSA-N
29292
+ rxn:2:97227:92979,CCOCC1CCCN(c2ccc(NC(CC)C3(c4cc(C)ccc4C)CCN(C)CC3)cn2)C1,NSDIHLQPYOEPHR-UHFFFAOYSA-N
29293
+ rxn:2:97286:91160,CN(C)CCN(C)C1CCC(NCc2cncc(N=S(C)(C)=O)c2)CC1,FCXOIIHVHQWRDB-UHFFFAOYSA-N
29294
+ rxn:2:97637:126600,Cc1ccc(C(C)Nc2ccc(CN3CCN(CC4CC4)CC3)cn2)c(OS(=O)(=O)F)c1,PDQGUIPDWZFFLX-UHFFFAOYSA-N
29295
+ rxn:2:97909:162583,CCN1CCCC1c1n[nH]c2c1C(NC(c1ccc(-c3cnn(S(C)(=O)=O)c3)cc1)C1CC1)CCC2,FQQYLYNIIHVLGM-UHFFFAOYSA-N
29296
+ rxn:2:98156:134481,COc1c(C(N[C@@H](c2ccncc2)C2CCCCC2)C2CCC2)cc(C)cc1C(C)(C)C,FNOJFAFCRHOBRV-AVJYQCBHSA-N
29297
+ rxn:2:99006:162583,CN(C)CC1CCCN1CCNC(c1ccc(-c2cnn(S(C)(=O)=O)c2)cc1)C1CC1,SPDVHEBGZWVIDW-UHFFFAOYSA-N
29298
+ rxn:2:99110:126170,CCCC(C(Nc1cnc2c(c1)CN(CC)CC2)c1ccc2c(c1)CCC2)N1CCCC1,MYMPLUYSXOJKSO-UHFFFAOYSA-N
29299
+ rxn:2:99521:118088,CC(=O)c1sccc1C1C(CSC(C)NCC23CC(S(C)(=O)=O)(CO2)C3)C1(F)F,FGLCXAPKKLAHKK-UHFFFAOYSA-N
29300
+ rxn:2:99534:139138,CC1CCCC(Oc2ccsc2CNC2CC3CCC2(CS(=O)(=O)[O-])C3(C)C)C1,YIOIOSJTGPICBS-UHFFFAOYSA-M