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1875 SMILES Strings for Metabotropic glutamate receptor 2

Compound NameSMILES String
BDBM17660 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM17662 Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
BDBM17657 N[C@@H](CCC(O)=O)C(O)=O
BDBM18125 N[C@@H](CC(O)=O)C(O)=O
BDBM23184 Cc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
BDBM26431 N[C@H](CCC(O)=O)C(O)=O
BDBM31174 N[C@H](CC(O)=O)C(O)=O
BDBM49388 O=C1CCOc2cc(OCc3ccccc3)ccc12
BDBM55081 [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|
BDBM66976 N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM71863 Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc12
BDBM82250 N[C@@H](C(O)=O)c1ccc(O)c(c1)C(O)=O |r|
BDBM82251 N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM82252 N[C@@H](C(O)=O)c1cccc(O)c1 |r|
BDBM82355 NC(C(O)=O)c1cc(=O)[nH]o1
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM86213 CCOC(=O)C12CC1C(N=O)c1ccccc1O2
BDBM85014 CC(N)(C(O)=O)c1ccc(cc1)-n1cnnn1
BDBM85015 CC(N)(C(O)=O)c1ccc(cc1)S(O)(=O)=O
BDBM85016 CC(N)(CCP(O)(O)=O)C(O)=O
BDBM85017 N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
BDBM85379 CCC(N)(CCC(O)=O)C(O)=O
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85074 CC(=O)OC1(C(C)=O)C(=C)CC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C |t:16|
BDBM85076 NC([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(N)=O |r|
BDBM85077 NC(CP(O)(O)=O)C(O)=O
BDBM85348 CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85349 CCCCc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85351 Cc1c(C[C@@H](N)C(O)=O)o[nH]c1=O |r|
BDBM85352 N[C@@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
BDBM85353 N[C@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
BDBM85354 N[C@H](Cc1o[nH]c(=O)c1Br)C(O)=O |r|
BDBM85355 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O |r|
BDBM85356 N[C@H](CCCC(O)=O)C(O)=O |r|
BDBM85212 NC(Cn1cnc2c1[nH]c(=O)[nH]c2=O)(C1CC1C(O)=O)C(O)=O
BDBM86717 Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
BDBM50169689 [H][C@@]12CC[C@@]([H])(CN1C(=O)c1csnn1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|
BDBM50169621 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCc2ccccc12
BDBM50004051 NC(CCP(O)(O)=O)C(O)=O
BDBM50004852 Cc1o[nH]c(=O)c1C(N)C(O)=O
BDBM50004863 N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
BDBM50004881 NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50004899 N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O
BDBM50007548 N[C@@H](CCP(O)(O)=O)C(O)=O |r|
BDBM277204 CC1(C)CC(O)(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CCO1
BDBM277097 CC(C)n1nccc1CN1CCc2c(nc(cc2-c2ccc(F)cc2F)C(N)=O)C1C
BDBM277202 CC1(C)CC(F)(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CO1
BDBM277206 CC1(C)CC(O)(CN2CCc3c(cc(nc3C2(C)C)C(N)=O)-c2ccc(F)cc2F)CO1
BDBM277147 CC1CCCN(C1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
BDBM50013055 NC(CCC([O-])=O)C([O-])=O
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM290585 CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)c(c2)C(O)=O)c(C)c1O
BDBM50017229 N[C@@H](CCCP(O)(O)=O)C(O)=O |r|
BDBM50455206 [H][C@@]1(C[C@@H]1C(O)=O)[C@](N)(CC(c1ccccc1)c1ccccc1)C(O)=O
BDBM277082 CC(C)(C)[C@H]1C[C@@H](CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)CCO1.CC(C)(C)[C@@H]1C[C@H](CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)CCO1 |r|
BDBM277078 NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@H]3CCN[C@H](C3)C(F)(F)F)Cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@@H]3CCN[C@@H](C3)C(F)(F)F)Cc2n1 |r|
BDBM277149 NC(=O)c1cc(N2CCCC(F)C2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
BDBM277087 Cn1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
BDBM277088 Cc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)n(C)n1
BDBM277089 Cn1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
BDBM277090 CC(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
BDBM277091 Cc1cnn(C)c1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
BDBM277094 CC(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(C)cc1F)C(N)=O
BDBM277164 NC(=O)c1cc(c2CCN(CC(O)c3ccccc3)Cc2n1)-c1ccc(F)cc1F
BDBM277166 NC(=O)c1cc(c2CCN(Cc2n1)C(CO)c1ccccc1)-c1ccc(F)cc1F
BDBM277084 NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(CCc3cccnc3N)Cc2n1
BDBM50026947 Cc1o[nH]c(=O)c1C[C@@H](N)C(O)=O
BDBM50031703 C[C@@H](C[C@H](N)C(O)=O)C(O)=O
BDBM50030627 CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50030628 NC(C(O)=O)c1ccc(C(O)=O)c(O)c1
BDBM50030629 NC(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50030630 NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
BDBM50034501 N[C@H](C(O)=O)c1cc(=O)[nH]o1
BDBM50034503 N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
BDBM50034504 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50038038 N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O
BDBM50049748 N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
BDBM50053585 N[C@H](C(O)=O)c1ccc(C(O)=O)c(O)c1
BDBM50053586 N[C@H](C(O)=O)c1ccc(O)c(c1)C(O)=O
BDBM50053588 N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM50053589 N[C@H](C(O)=O)c1cccc(O)c1
BDBM50052255 N[C@@H](C(O)=O)C12CC(C1)(C2)C(O)=O
BDBM50052256 N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
BDBM50052398 N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
BDBM50052549 NC(CCCCC(O)=O)C(O)=O
BDBM50052551 Cc1o[nH]c(=O)c1CCC(N)C(O)=O
BDBM50052552 NC(CCCCCC(O)=O)C(O)=O
BDBM50052553 N[C@@H](CCCC(O)=O)C(O)=O
BDBM50052554 Cc1o[nH]c(=O)c1CCCCC(N)C(O)=O
BDBM50052555 Cc1o[nH]c(=O)c1CCCC(N)C(O)=O
BDBM50056272 N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50060133 N[C@@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM50060134 NC1(C[C@@H]([C@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50060136 N[C@@]1(CC[C@@H](C1)C(O)=O)C(O)=O
BDBM50060137 N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50062510 N[C@](CCC(c1ccccc1)c1ccccc1)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50062518 N[C@](CCc1cccc(Cl)c1)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50062520 Cc1cccc(CC[C@@](N)([C@H]2C[C@@H]2C(O)=O)C(O)=O)c1
BDBM50062522 N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50062526 N[C@](CCc1ccc(F)cc1)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50062529 N[C@](CCc1cccc(O)c1)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50062534 COc1cccc(CC[C@@](N)(C2C[C@@H]2C(O)=O)C(O)=O)c1
BDBM50062538 N[C@](CCc1cccc(c1)C(F)(F)F)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50062539 Nc1cccc(CC[C@@](N)(C2C[C@@H]2C(O)=O)C(O)=O)c1
BDBM50062543 N[C@@](CC(c1ccccc1)c1ccccc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50062480 N[C@](CC1CCC1)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50062495 CC(C)C[C@@](N)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50062500 C[C@@](N)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50062503 N[C@](Cc1ccccc1)(C1C[C@@H]1C(O)=O)C(O)=O
BDBM50060718 Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O
BDBM50060719 Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O
BDBM50063485 CCCCc1c(C[C@H](N)C(O)=O)o[nH]c1=O
BDBM50064245 N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
BDBM50064246 N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
BDBM50064247 N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
BDBM50064248 N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
BDBM50070575 CNC(C(O)=O)c1cc(=O)[nH]o1
BDBM50070576 OC(=O)C(NCc1ccccc1)c1cc(=O)[nH]o1
BDBM50070577 CCNC(C(O)=O)c1cc(=O)[nH]o1
BDBM50069111 N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
BDBM50072168 CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072170 CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072172 CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072173 CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072174 CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50072176 NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
BDBM50072177 CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
BDBM50071150 N[C@@]1(C[C@@H](N(Cc2ccccc2-c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071151 N[C@@]1(C[C@@H](N(CC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071153 N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2Cl)C1)C(O)=O)C(O)=O
BDBM50071154 N[C@@]1(C[C@@H](N(CCCc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071155 N[C@@]1(C[C@@H](N(Cc2ccc3ccccc3c2)C1)C(O)=O)C(O)=O
BDBM50071152 N[C@@]1(C[C@@H](N(CCc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071156 CCN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50071157 N[C@@]1(C[C@@H](N(Cc2ccc(Cl)cc2)C1)C(O)=O)C(O)=O
BDBM50071158 N[C@@]1(C[C@@H](N(Cc2ccc(cc2)-c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071159 N[C@@]1(C[C@@H](N(Cc2cccc3ccccc23)C1)C(O)=O)C(O)=O
BDBM50071160 N[C@@]1(C[C@@H](N(CC2CCCCC2)C1)C(O)=O)C(O)=O
BDBM50071161 N[C@@]1(C[C@@H](N(Cc2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071162 C[C@H](Nc1ccc(cc1)C(O)=O)C(O)=O
BDBM50071164 CN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50071165 N[C@@]1(C[C@@H](N(Cc2ccccc2Cl)C1)C(O)=O)C(O)=O
BDBM50071166 N[C@@]1(C[C@@H](N(CCC(c2ccccc2)c2ccccc2)C1)C(O)=O)C(O)=O
BDBM50071167 N[C@@]1(C[C@@H](N(Cc2c(Cl)cccc2Cl)C1)C(O)=O)C(O)=O
BDBM50071168 N[C@@]1(C[C@@H](N(Cc2cccc(Cl)c2)C1)C(O)=O)C(O)=O
BDBM50076389 CC1c2ccccc2Oc2cccc(c12)[C@](N)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50076390 N[C@@H](CC(C(O)=O)C(O)=O)C(O)=O
BDBM50076391 NC1(C2CCC1C(C2)C(O)=O)C(O)=O |TLB:0:1:6.7:4.3,THB:11:1:6.7:4.3,8:6:1:4.3|
BDBM50076392 C[C@](N)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50076393 N[C@@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50076395 N[C@@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
BDBM50074749 N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
BDBM50074750 N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
BDBM50078596 NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
BDBM50079183 N[C@H](C(O)=O)c1cc(O)cc(O)c1
BDBM50079270 OC(=O)[C@H]1C[C@@H](N1)C(O)=O
BDBM50078224 COc1ccccc1C1N2C=C(SC2=NC(C(=O)c2ccccc2)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,26|
BDBM50078225 CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1C)c1c(Cl)cccc1Cl |c:8,14,t:11|
BDBM50078226 COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
BDBM50078227 COc1ccc(cc1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
BDBM50078228 CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCCN(C)C |c:6,10,t:2|
BDBM50078229 COc1cccc(c1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
BDBM50078230 CCOc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:12,16,19|
BDBM50078231 CC(C)Oc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:13,17,20|
BDBM50078232 COc1ccccc1C1N2C=C(SC2=NC(C(C)C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,20|
BDBM50078233 COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)NCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
BDBM50078234 COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1ccc(Cl)cc1 |c:11,15,18|
BDBM50078235 COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1ccc(Cl)cc1Cl |c:11,15,18|
BDBM50078236 COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
BDBM50078237 CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1Cl)c1c(Cl)cccc1Cl |c:8,14,t:11|
BDBM50078238 CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1OC)c1c(Cl)cccc1Cl |c:5,11,t:8|
BDBM50078239 CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1F)c1c(Cl)cccc1Cl |c:8,14,t:11|
BDBM50080057 CC(C)O\C(=C/n1cncn1)c1ccc(F)cc1F
BDBM50080058 Clc1ccc(\C(OC2CCCCCCC2)=C\n2cncn2)c(Cl)c1
BDBM50080059 Clc1ccc(\C(OC2CCCC2)=C\n2cncn2)c(Cl)c1
BDBM50080060 CCCCO\C(=C/n1ncnn1)c1ccc(Cl)cc1
BDBM50080061 Clc1ccc(\C(OCc2ccccc2)=C\n2cnnn2)c(Cl)c1
BDBM50080062 FC(F)(F)c1ccc(cc1)C(\OC1CCCCCC1)=C\n1cncn1
BDBM50080063 CC(C)O\C(=C/n1cncn1)c1ccc(Cl)cc1Cl
BDBM50080064 Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
BDBM50080065 COc1ccc(\C(OC(C)C)=C\n2cncn2)c(OC)c1
BDBM50080066 Clc1ccc(\C(OC2CCCCC2)=C\n2cncn2)c(Cl)c1
BDBM50080067 Clc1ccc(\C(OC2CCCCCC2)=C\n2cncn2)c(Cl)c1
BDBM50080068 Clc1cccc(Cl)c1\C(OCc1ccccc1)=C\n1cncn1
BDBM50080069 Clc1cccc(Cl)c1\C(OC1CCCCC1)=C\n1cncn1
BDBM50084137 Cc1cccc(n1)C#Cc1ccccc1
BDBM50084141 Cc1cccc(\C=C\c2ccccc2)n1
BDBM50088230 CCC[C@H](C[C@H](N)C(O)=O)C(O)=O
BDBM277106 CC1(C)CC(CN2CCc3c(cc(nc3C2(C)C)C(N)=O)-c2ccc(F)cc2F)CCO1
BDBM277092 CC1(C)CC(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CCO1
BDBM50089514 NC1(CCC(=C1)P(O)(O)=O)C(O)=O |c:4|
BDBM50089515 NC1(CC=C(C1)P(O)(O)=O)C(O)=O |c:3|
BDBM50089890 N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
BDBM50089891 C[C@](N)(Cn1c(=O)[nH]oc1=O)C(O)=O
BDBM50089892 CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCN(C)C |c:6,10,t:2|
BDBM50089893 NC1(CCc2cc(ccc12)P(O)(O)=O)C(O)=O
BDBM50089894 N[C@@H]([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
BDBM50089895 N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
BDBM50089897 N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
BDBM50089898 N[C@]1(CCC2C[C@@H](C12)C(O)=O)C(O)=O
BDBM50089901 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50089902 CC(C)(N)CCP(O)(O)=O
BDBM50089906 N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O |TLB:10:1:6:4,THB:7:6:1.2:4,0:1:6:4|
BDBM50089910 CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50089911 N[C@]1(CC[C@@H](CC(O)=O)C1)C(O)=O
BDBM50089912 N[C@@H](CC(=C)C(O)=O)C(O)=O
BDBM50089914 NC(C(O)=O)c1cccc(O)c1
BDBM50094841 N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O
BDBM50094842 N[C@]1(CC[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
BDBM50094843 N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
BDBM50094844 C[C@@]1([C@@H]2CC[C@](N)([C@H]12)C(O)=O)C(O)=O
BDBM50094845 N[C@]1(CC(O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
BDBM50094846 N[C@]1([C@H]2[C@@H](C[C@H]1F)[C@@H]2C(O)=O)C(O)=O
BDBM50094847 N[C@@]1([C@H]2[C@@H](CC1(F)F)[C@@H]2C(O)=O)C(O)=O
BDBM50094848 N[C@@]1([C@H]2[C@@H](C[C@H]1F)[C@@H]2C(O)=O)C(O)=O
BDBM50098248 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
BDBM50107108 NC([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
BDBM50107109 NC([C@H]1[C@@H](CC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
BDBM50109652 N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
BDBM50109653 N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
BDBM50109654 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
BDBM50109655 N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
BDBM50109656 N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
BDBM50109657 N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
BDBM50109658 N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
BDBM50118479 N[C@H](CCc1ns[nH]c1=O)C(O)=O
BDBM50118480 N[C@@H](CCc1ns[nH]c1=O)C(O)=O
BDBM50118481 N[C@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50130515 N[C@@]1(C[C@@H]2ON=C([C@@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50130608 COc1ccccc1Oc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50130609 CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Oc2ccccc2)cc1
BDBM50138781 C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O
BDBM50138782 N[C@@H]([C@H]1[C@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
BDBM50138783 N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O
BDBM50138784 N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
BDBM50138785 N[C@H]([C@@H]1[C@H](O)[C@H]1C(O)=O)C(O)=O
BDBM50138786 N[C@@H]([C@H]1[C@@H](CC(O)=O)[C@@H]1C(O)=O)C(O)=O
BDBM50138787 N[C@@H]([C@@H]1[C@@H](C(O)=O)C1(F)F)C(O)=O
BDBM50147125 CC(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147126 CCC(CC)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147127 CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(=O)c1ccccc1
BDBM50147128 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(O)c1ccccc1
BDBM50147129 CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(F)c1ccccc1
BDBM50147130 FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OC(F)(F)F)c1
BDBM50147131 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(=O)c1ccccc1
BDBM50147132 CCC(C)COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147133 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(OCc2ccccc2)c1
BDBM50147134 COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147135 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(COc2ccccc2)c1
BDBM50147136 CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(C)c1ccccc1
BDBM50147137 CCC(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147138 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Cc2ccccc2)c1
BDBM50147139 CC(C)COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147140 CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(=C)c1ccccc1
BDBM50147141 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(OC(F)(F)F)c1
BDBM50147142 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(C)c1ccccc1
BDBM50147143 CCCC(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147144 CCS(=O)(=O)N(Cc1cccnc1)c1ccc(cc1)C(O)c1ccccc1
BDBM50147145 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(F)c1ccccc1
BDBM50147146 CCOC(=O)COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147147 CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Cc2ccccc2)cc1
BDBM50147148 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(c1)C(=C)c1ccccc1
BDBM50147149 CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1
BDBM50147150 FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OC2CCC2)c1
BDBM50147151 CCOC(=O)C(C)(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147152 CCS(=O)(=O)N(Cc1cccnc1)c1ccc(COc2ccccc2)cc1
BDBM50147153 CCOC(=O)C(C)Oc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147154 FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OC2CCCCC2)c1
BDBM50147155 FC(F)(F)COc1cccc(c1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F
BDBM50147156 FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OC2CCCC2)c1
BDBM50147157 FC(F)(F)CS(=O)(=O)N(Cc1cccnc1)c1cccc(OCc2ccccc2)c1
BDBM50151447 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)cc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151448 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)C(O)=O)[C@]2(F)C(O)=O)C(O)=O
BDBM50151449 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(F)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151450 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Oc3ccccc3)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151451 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)cc1Cl)[C@]2(F)C(O)=O)C(O)=O
BDBM50151452 CCCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
BDBM50151453 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(F)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151454 CO[C@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
BDBM50151455 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)C(F)(F)F)[C@]2(F)C(O)=O)C(O)=O
BDBM50151456 CO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
BDBM50151457 COc1cccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)c1
BDBM50151458 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(F)c1F)[C@]2(F)C(O)=O)C(O)=O
BDBM50151459 Cc1cccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)c1
BDBM50151460 N[C@]1([C@@H]2[C@H](C[C@@H]1OCc1ccc(Cl)c(Cl)c1)[C@@]2(F)C(O)=O)C(O)=O
BDBM50151461 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)[N+]([O-])=O)[C@]2(F)C(O)=O)C(O)=O
BDBM50151462 N[C@@]1([C@H]2[C@@H](C[C@H]1OC1CCCC1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151463 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Cl)c1Cl)[C@]2(F)C(O)=O)C(O)=O
BDBM50151464 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151465 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Br)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151466 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(F)ccc1F)[C@]2(F)C(O)=O)C(O)=O
BDBM50151467 Nc1cccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)c1
BDBM50151468 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccccc1Cl)[C@]2(F)C(O)=O)C(O)=O
BDBM50151469 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151470 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1c(Cl)cccc1Cl)[C@]2(F)C(O)=O)C(O)=O
BDBM50151471 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)cc1F)[C@]2(F)C(O)=O)C(O)=O
BDBM50151472 N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151473 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc3ccccc3c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151474 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)-c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151475 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)C#N)[C@]2(F)C(O)=O)C(O)=O
BDBM50151476 C[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc2ccccc2c1
BDBM50151477 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)cc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151478 N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151433 CCC(C)O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
BDBM50151479 N[C@@]1([C@H]2[C@@H](C[C@@H]1O)[C@]2(F)C(O)=O)C(O)=O
BDBM50151480 N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151481 CC[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
BDBM50151482 CCC[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
BDBM50151483 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc3ccccc13)[C@]2(F)C(O)=O)C(O)=O
BDBM50151484 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(cc1)-c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151432 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccs1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151485 N[C@@]1([C@H]2[C@@H](C[C@H]1OCC=C)[C@]2(F)C(O)=O)C(O)=O
BDBM50151486 C[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
BDBM50151434 C[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc2ccccc2c1
BDBM50151435 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151436 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(Cl)cc(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151437 C[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
BDBM50151438 N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccccc1)c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151439 CCC[C@@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
BDBM50151440 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(F)cc(F)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151441 N[C@@]1([C@H]2[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151442 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccccc1-c1ccccc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151443 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(Cl)c(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151487 N[C@@]1([C@H]2[C@@H](C[C@H]1OCCCc1ccccc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151488 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1c(F)c(F)c(F)c(F)c1F)[C@]2(F)C(O)=O)C(O)=O
BDBM50151489 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc(Cl)ccc1Cl)[C@]2(F)C(O)=O)C(O)=O
BDBM50151490 N[C@@]1([C@H]2[C@@H](C[C@@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
BDBM50151491 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1c(F)cccc1F)[C@]2(F)C(O)=O)C(O)=O
BDBM50151444 N[C@@]1([C@H]2[C@@H](C[C@H]1O)[C@]2(F)C(O)=O)C(O)=O
BDBM50151445 CC[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
BDBM50151446 N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccccc1)[C@]2(F)C(O)=O)C(O)=O
BDBM50132507 CC(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50153740 CCCc1c(OCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50153741 CCCc1c(OCCCC(C)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50153742 CCCc1c(OCCCCN(C)c2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50153743 CCC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
BDBM50153744 CCCc1c(OCCCC(=O)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50153745 CCCc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(=O)NS(C)(=O)=O)C(C)=O
BDBM50153746 CCCc1c(OCCCCNc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50153747 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(=O)CC(C)C)c1O
BDBM50153748 CCCc1c(OC(C)CCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50153749 CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
BDBM50153750 CCCC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
BDBM50153751 CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(Br)c1O
BDBM50153752 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O
BDBM50153753 CCCc1c(OC(C)CCC(C)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50153754 CCCc1c(OCCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50153755 CCCc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(O)=O)C(C)=O
BDBM50153756 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(Br)c1O
BDBM50153757 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
BDBM50155694 CC(C)CC(=O)c1ccc(OCc2cccc(CSc3ccncc3)c2)c(C)c1O
BDBM50155695 CC(C)CC(=O)c1ccc(OCc2ccccc2Sc2ccncc2)c(C)c1O
BDBM50155696 Cc1c(OCc2ccc(Sc3ccncc3)cc2)ccc(C(=O)CC(C)(C)C)c1O
BDBM50155697 CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2)c(Br)c1O
BDBM50155698 CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(Br)c1O
BDBM50155699 CC(C)CC(=O)c1ccc(OCCCCOc2cccc(F)c2F)c(Br)c1O
BDBM50155700 CC(C)CC(=O)c1ccc(OCCCCOc2cccnc2)c(C)c1O
BDBM50155701 CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(C)c1O
BDBM50155702 CC(C)CC(=O)c1ccc(OCCCCOc2ccccn2)c(C)c1O
BDBM50155703 CC(C)CC(=O)c1ccc(OCc2cccc(Sc3ccncc3)c2)c(C)c1O
BDBM50155704 CC(C)CC(=O)c1ccc(OCCCCOc2ccncc2)c(C)c1O
BDBM50155705 CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2)c(C)c1O
BDBM50155706 CC(C)CC(=O)c1ccc(OCCCCOc2cccc(F)c2F)c(C)c1O
BDBM50155707 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-n2cncn2)c(C)c1O
BDBM50155708 CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2F)c(C)c1O
BDBM50155709 CC(C)CC(=O)c1ccc(OCc2ccc(CSc3ccncc3)cc2)c(C)c1O
BDBM50155710 CC(C)CC(=O)c1ccc(OCCCCOc2cccnc2)c(Br)c1O
BDBM50155711 CC(C)CC(=O)c1ccc(OCc2ccc(Sc3ccncc3)cc2)c(C)c1O
BDBM50155712 CC(C)CC(=O)c1ccc(OCCCCSc2cccnc2)c(C)c1O
BDBM50155713 CC(C)CC(=O)c1ccc(OCCCCSc2ccccn2)c(C)c1O
BDBM50159165 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50162556 CC(C)C1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O
BDBM50162557 CC1(Cc2cc(OCc3ccc(cc3)C(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162558 CC1(Cc2cc(OCCCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162559 CCCC1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(C)c(C)c2C1=O
BDBM50162560 CC1(Cc2cc(OCc3ccc(cc3)C(=O)NS(C)(=O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162561 CC1(Cc2cc(OCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162562 CC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)c1ccccc1
BDBM50162563 CC1(Cc2cc(OCCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162564 CC1(Cc2cc(OCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162565 CCCC1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O
BDBM50162566 CCCC1Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
BDBM50162567 CC1(Cc2cc(CCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162568 Clc1c2C(=O)C(Cc2cc(OCc2ccc(cc2)-c2nnn[nH]2)c1Cl)C1CCCC1
BDBM50162569 CC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162570 CC1(Cc2cc(OCC(=O)Nc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162571 CC(=O)NC(=O)c1ccc(COc2cc3CC(C)(C4CCCC4)C(=O)c3c(Cl)c2Cl)cc1
BDBM50162572 Clc1c2C(=O)C(Cc2cc(OCc2cccc(CSc3ccncc3)c2)c1Cl)C1CCCC1
BDBM50162573 CC(C)C1Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
BDBM50162574 CC1(Cc2cc(OCc3cccc(c3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162575 CC1(Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162576 CCCCC1(Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162577 CC1(Cc2cc(OCCOc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50162578 CC1(C)Cc2cc(OCc3ccc(cc3)-c3nnn[nH]3)c(Cl)c(Cl)c2C1=O
BDBM50162579 Cc1c2C(=O)C(Cc2cc(OCc2cccc(CSc3ccncc3)c2)c1C)C1CCCC1
BDBM50162580 CC1(Cc2cc(OCCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O)C1CCCC1
BDBM50167031 C[C@H]1C[C@@](N)([C@@H]2[C@H]1[C@H]2C(O)=O)C(O)=O
BDBM50167032 C[C@@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O
BDBM50167033 C[C@@H]1C[C@H]2[C@@H]([C@H]2[C@]1(N)C(O)=O)C(O)=O
BDBM50167034 C[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O
BDBM50171487 C[C@H](N)C(=O)N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
BDBM50170306 CCCc1c(OCc2cccc(c2)-c2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
BDBM50170307 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2c(CC(C)(C)C)noc12
BDBM50170308 CC(C)(C)Cn1ccc2cc(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
BDBM50170309 CCCc1c(Oc2cccc(c2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
BDBM50170310 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ncc12
BDBM50170311 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CCC)ccc12
BDBM50170312 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)nnc12
BDBM50170313 CC(C)(C)Cn1ccc2c(Br)c(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
BDBM50170314 Cc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
BDBM50170315 CCCc1c2CCN(CC(C)(C)C)c2ccc1OCCCCOc1ccc(cc1)-c1nnn[nH]1
BDBM50170316 CCCc1c(OCc2ccc(Oc3ccc(cc3)-c3nnn[nH]3)cc2)ccc2n(CC(C)(C)C)ccc12
BDBM50170317 CCCc1c(OCc2cccc(Oc3ccc(cc3)-c3nnn[nH]3)c2)ccc2n(CC(C)(C)C)ccc12
BDBM50170318 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)c(C)cc12
BDBM50170319 CCCCCn1ccc2c(CCC)c(OCCCCOc3ccc(cc3)-c3nnn[nH]3)ccc12
BDBM50170320 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(ccc12)C(C)C
BDBM50170321 CCCc1c(OC\C=C\COc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
BDBM50170322 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)cnc12
BDBM50170323 CCCc1c(OCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
BDBM50170324 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC3CCCCC3)ccc12
BDBM50170325 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC3CC3)ccc12
BDBM50170326 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
BDBM50170327 CCCc1c(OCCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
BDBM50170328 CCCc1c(OCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)(C)C)ccc12
BDBM50170329 CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc2n(CC(C)C)ccc12
BDBM50175072 N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
BDBM50175073 N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
BDBM50174515 N[C@@]1(C[C@H]2ON=C([C@H]2C1)C(O)=O)C(O)=O |c:5|
BDBM50174516 NC1(CC2ON=C(C2C1)C(O)=O)C(O)=O |c:5|
BDBM50174517 NC(CC1CC(=NO1)C(O)=O)C(O)=O |c:5|
BDBM50178684 CC[C@H](C[C@H](N)C(O)=O)C(O)=O
BDBM50177053 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50180145 OC(=O)[C@H]1CC[C@H]2CN[C@@H]([C@@H]12)C(O)=O
BDBM50191052 N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
BDBM50202406 N[C@]1(CS(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50202407 N[C@]1(CS(=O)(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50208759 NC(C(O)=O)c1cnn(O)c1C(c1ccccc1)c1ccccc1 |w:1.0|
BDBM50208756 NC(C(O)=O)c1cnn(O)c1CCc1ccccc1 |w:1.0|
BDBM50208757 NC(C(O)=O)c1cnn(O)c1CC1CCCCC1 |w:1.0|
BDBM50208758 NC(C(O)=O)c1cnn(O)c1CCCc1ccccc1 |w:1.0|
BDBM50208760 NC(C(O)=O)c1cnn(O)c1Br |w:1.0|
BDBM50208761 NC(C(O)=O)c1cnn(O)c1CC1CC1 |w:1.0|
BDBM50208762 NC(C(O)=O)c1cnn(O)c1-c1ccccc1 |w:1.0|
BDBM50208763 CCCCCc1c(cnn1O)C(N)C(O)=O |w:11.12|
BDBM50208764 CCc1c(cnn1O)C(N)C(O)=O |w:8.9|
BDBM50208765 NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|
BDBM50208766 CCCc1c(cnn1O)C(N)C(O)=O |w:9.10|
BDBM50208767 CCCCc1c(cnn1O)C(N)C(O)=O |w:10.11|
BDBM50207811 NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207812 NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207813 NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50207814 NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
BDBM50207810 NC([C@@H]1[C@@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
BDBM50212323 C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
BDBM50212325 C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50220145 N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220146 N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50220148 N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220149 N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220150 N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50220151 N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220153 N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
BDBM50220154 N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
BDBM50225792 COc1cccc(c1)C1=Nc2ccc(C)cc2NC(=O)C1 |t:9|
BDBM50225793 CC(C)(C)NC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:12|
BDBM50225794 OC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:8|
BDBM50225795 O=C1CC(=Nc2cc(OCC#N)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
BDBM50225796 COC1CCN(CC1)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:12|
BDBM50225797 NC(=O)COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:8|
BDBM50225798 COc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:15|
BDBM50225799 Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C(F)(F)F |c:5|
BDBM50225800 O=C1CC(=Nc2cc(N3CCSCC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
BDBM50225801 Clc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:14|
BDBM50225802 Ic1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:8|
BDBM50225803 O=C1CC(=Nc2ccc(cc2N1)C#Cc1cccs1)c1cccc(c1)C#N |c:3|
BDBM50225804 FC(F)(F)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:11|
BDBM50225805 Clc1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:8|
BDBM50225806 CC(=C)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:9|
BDBM50225807 Cc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:14|
BDBM50225808 O=C1CC(=Nc2cc(N3CCS(=O)CC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
BDBM50225809 Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:14|
BDBM50225810 CC(C)(O)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:10|
BDBM50225811 O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1ccccc1 |c:3|
BDBM50225812 COc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:5|
BDBM50225813 COc1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:9|
BDBM50225814 O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
BDBM50225815 O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccn1)c1cccc(c1)C#N |c:3|
BDBM50225816 O=C1CC(=Nc2cc(N3CCOCC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
BDBM50225817 CN(C)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:6|
BDBM50225818 CN1CCN(CC1)C(=O)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:17|
BDBM50225819 O=C(N1CCOCC1)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:16|
BDBM50225820 CN1CCN(CC1)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:11|
BDBM50225821 Fc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:14|
BDBM50225822 Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)C#N |c:5|
BDBM50225823 NC(=O)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:10|
BDBM50225824 O=C1CC(=Nc2ccc(cc2N1)C#Cc1nccs1)c1cccc(c1)C#N |c:3|
BDBM50225825 O=C1CC(=Nc2cc(N3CCS(=O)(=O)CC3)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3|
BDBM50225826 COCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)C#N |c:8|
BDBM50225827 Fc1ccc(C#Cc2ccc3N=C(CC(=O)Nc3c2)c2cccc(c2)C#N)c(F)c1 |c:11|
BDBM50225791 Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(Cl)c1 |c:5|
BDBM50251894 N[C@@H](C[C@@H](CCC(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O |r|
BDBM50263389 CC(C)c1ccc(OCC2[C@@H]3CN(Cc4nc5ccccc5n4C)C[C@H]23)cc1 |r|
BDBM50263390 Cn1c(CN2C[C@H]3C(COc4ccc(Cl)cc4)[C@H]3C2)nc2ccccc12 |r|
BDBM50263391 Cn1c(CN2C[C@H]3C(COc4ccc(Cl)cc4F)[C@H]3C2)nc2ccccc12 |r|
BDBM50263392 Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2ccccc12 |r|
BDBM50263426 Cn1c(CN2C[C@H]3C(COc4ccccc4)[C@H]3C2)nc2ccccc12 |r|
BDBM50263427 C(Oc1ccccc1)C1[C@@H]2CN(Cc3nc4ccccc4s3)C[C@H]12 |r|
BDBM50263428 C(Oc1ccccc1)C1[C@@H]2CN(Cc3cn4ccccc4n3)C[C@H]12 |r|
BDBM50263429 C(Oc1ccccc1)C1[C@@H]2CN(Cc3cnc4ccccc4c3)C[C@H]12 |r|
BDBM50263430 C(Oc1ccccc1)C1[C@@H]2CN(Cc3nc4ccccc4n3C3CC3)C[C@H]12 |r|
BDBM50263431 Cn1c(CN2C[C@H]3C(COc4ccc(Cl)cn4)[C@H]3C2)nc2ccccc12 |r|
BDBM50263432 Cn1c(CN2C[C@H]3C(COc4ccc(Cl)nc4)[C@H]3C2)nc2ccccc12 |r|
BDBM50263433 Cn1c(CN2C[C@H]3C(COc4ccc(cn4)C(F)(F)F)[C@H]3C2)nc2ccccc12 |r|
BDBM50263434 Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2ncccc12 |r|
BDBM50263353 C(Oc1ccccc1)C1[C@@H]2CN(Cc3nc4cccc5CCCn3c45)C[C@H]12 |r|
BDBM50263354 Cn1c(CN2C[C@H]3C(COc4cccc(c4)-c4ccccc4)[C@H]3C2)nc2ccccc12 |r|
BDBM50263355 Cn1c(CN2C[C@H]3C(COc4cc(F)ccc4F)[C@H]3C2)nc2ccccc12 |r|
BDBM50254338 N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
BDBM50254389 N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
BDBM50254390 N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
BDBM50252047 N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O |r|
BDBM50252048 COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50252049 N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
BDBM50252050 N[C@@H](C[C@@H](CCC(N)=O)C(O)=O)C(O)=O |r|
BDBM50252051 CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50252052 CCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50254337 N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
BDBM50277878 CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cn1)C1CCCCC1 |r|
BDBM50278053 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(CN(C)C)cc2)C(=O)O1 |r|
BDBM50278054 C[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C)C(=O)O1 |r|
BDBM50277880 C[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2F)C(=O)O1 |r|
BDBM50277881 C[C@@H]1CN(Cc2ccc(cc2)-c2cccc(F)c2)C(=O)O1 |r|
BDBM50277882 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2)C(=O)O1 |r|
BDBM50277883 C[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2Cl)C(=O)O1 |r|
BDBM50277953 CCOc1ccc(cc1)-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
BDBM50277954 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)C(=O)O1 |r|
BDBM50277955 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)c(Cl)c2)C(=O)O1 |r|
BDBM50277956 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r|
BDBM50277957 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1 |r|
BDBM50278924 CNc1ncc(cn1)C#Cc1ccccc1
BDBM50278930 Cc1cccc(c1)C#Cc1ncccn1
BDBM50279772 N[C@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50278007 C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(OC(F)(F)F)cc2F)C(=O)O1 |r|
BDBM50278008 C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(F)c(Cl)c2)C(=O)O1 |r|
BDBM50278009 C[C@@H]1CN(Cc2ccc(nc2)-c2ccc(F)c(F)c2)C(=O)O1 |r|
BDBM50278010 C[C@@H]1CN(Cc2ccc(cn2)-c2ccc(F)c(F)c2)C(=O)O1 |r|
BDBM50277915 C[C@@H]1CN(Cc2ccc(cc2)-c2cccc(Cl)c2)C(=O)O1 |r|
BDBM50277916 C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)O1 |r|
BDBM50277917 COc1ccccc1-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
BDBM50277918 COc1cccc(c1)-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
BDBM50277919 COc1ccc(cc1)-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
BDBM50277920 CCOc1ccccc1-c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
BDBM50293721 COc1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50274140 Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2cnccc12 |r|
BDBM50274141 Cn1c(CN2C[C@H]3C(COc4ccccc4)[C@H]3C2)nc2ccncc12 |r|
BDBM50274142 Cn1c(CN2C[C@H]3C(COc4ccc(cc4)C(F)(F)F)[C@H]3C2)nc2cccnc12 |r|
BDBM50274143 Cn1c(CN2C[C@H]3C(COc4cccc(Cl)c4)[C@H]3C2)nc2ncccc12 |r|
BDBM50274144 Cn1c(CN2C[C@H]3C(COc4cccc(Cl)c4)[C@H]3C2)nc2cnccc12 |r|
BDBM50291679 CC1(C)CC(N)(C(O)=O)c2ccc(cc2O1)C(O)=O
BDBM50291680 C[C@H](Nc1ccc(cc1)P(O)(O)=O)C(O)=O
BDBM50277879 C[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2)C(=O)O1 |r|
BDBM50277958 C[C@@H]1CN(Cc2ccc(cc2)-c2ccncc2)C(=O)O1 |r|
BDBM50278005 C[C@@H]1CN(Cc2ccc(cc2)-c2cccnc2)C(=O)O1 |r|
BDBM50278006 C[C@@H]1CN(Cc2ccc(cc2)-c2cncnc2)C(=O)O1 |r|
BDBM50288204 OC(=O)C[C@H]1CN[C@@H]1C(O)=O
BDBM50277770 O=C1OCCCN1Cc1ccc(OCC2CCCCC2)cc1
BDBM50277771 CC(Oc1ccc(CN2CCCOC2=O)cc1)C1CCCCC1
BDBM50277772 CC(Oc1ccc(CN2CC(C)OC2=O)cc1)C1CCCCC1
BDBM50277843 O=C1OCCN1Cc1ccc(OCC2CCCCC2)cc1
BDBM50277844 O=C1OCCCN1Cc1ccc(OCc2cccnc2)cc1
BDBM50277845 CC1CN(Cc2ccc(OC3CCOCC3)cc2)C(=O)O1
BDBM50277846 CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cc1)C1CCCCC1 |r|
BDBM50277847 C[C@@H]1CN(Cc2ccc(CN(C)C3CCCCC3)cc2)C(=O)O1 |r|
BDBM50277848 CC(N1CCCCC1)c1ccc(CN2C[C@@H](C)OC2=O)cc1 |r|
BDBM50277805 CC1CN(Cc2ccc(OCC3CCCCC3)cc2)C(=O)O1
BDBM50277806 CC(Oc1ccc(CN2C[C@H](C)OC2=O)cc1)C1CCCCC1 |r|
BDBM50277807 CC1CN(Cc2ccc(OCCC3CCCCC3)cc2)C(=O)O1
BDBM50277808 CC1CN(Cc2ccc(OC3CCCCC3)cc2)C(=O)O1
BDBM50277809 CC1CN(Cc2ccc(OCc3ccccc3)cc2)C(=O)O1
BDBM50277810 O=C1OC2(CN1Cc1ccc(OCC3CCCCC3)cc1)CCOCC2
BDBM50305056 CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50301804 CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1ccc(F)cc1F
BDBM50301520 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50314793 N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O |r|
BDBM50314794 N[C@@H](CCP(O)(=O)CC(O)=O)C(O)=O |r|
BDBM50314796 OC(=O)CCP(O)(=O)CCC(=N)C(O)=O
BDBM50314797 N[C@@H](CCP(O)(=O)CC(Cl)C(O)=O)C(O)=O |r|
BDBM50318332 CCCCCCC1CN(C(=O)O1)c1ccc(O)cc1
BDBM50318333 CCCCCCC1CN(C(=O)O1)c1ccccc1N
BDBM50318334 CCCCCCC1CN(C(=O)O1)c1cccc(N)c1
BDBM50318335 CCCCCCC1CN(C(=O)O1)c1ccc(N)cc1
BDBM50318342 CCCCCCCCC1CN(C(=O)O1)c1ccccc1
BDBM50318343 CCCCCC1CN(C(=O)O1)c1ccccc1
BDBM50318344 CCCCC1CN(C(=O)O1)c1ccccc1
BDBM50318345 O=C1OC(Cc2ccccc2)CN1c1ccccc1
BDBM50318346 O=C1OC(COc2ccccc2)CN1c1ccccc1
BDBM50318312 CCCCCC[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
BDBM50318315 CCCCCCC1CN(C(=O)O1)c1ccccc1C
BDBM50318316 CCCCCCC1CN(C(=O)O1)c1cccc(C)c1
BDBM50318317 CCCCCCC1CN(C(=O)O1)c1ccc(C)cc1
BDBM50318318 CCCCCCC1CN(C(=O)O1)c1ccccc1F
BDBM50318319 CCCCCCC1CN(C(=O)O1)c1cccc(F)c1
BDBM50318320 CCCCCCC1CN(C(=O)O1)c1ccc(F)cc1
BDBM50318321 CCCCCCC1CN(C(=O)O1)c1ccccc1Cl
BDBM50318322 CCCCCCC1CN(C(=O)O1)c1cccc(Cl)c1
BDBM50318323 CCCCCCC1CN(C(=O)O1)c1ccc(Cl)cc1
BDBM50318324 CCCCCCC1CN(C(=O)O1)c1ccccc1C#N
BDBM50318325 CCCCCCC1CN(C(=O)O1)c1cccc(c1)C#N
BDBM50326793 N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r|
BDBM50326794 N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r|
BDBM50318326 CCCCCCC1CN(C(=O)O1)c1ccc(cc1)C#N
BDBM50318327 CCCCCCC1CN(C(=O)O1)c1ccccc1OC
BDBM50318328 CCCCCCC1CN(C(=O)O1)c1cccc(OC)c1
BDBM50318329 CCCCCCC1CN(C(=O)O1)c1ccc(OC)cc1
BDBM50318330 CCCCCCC1CN(C(=O)O1)c1ccccc1O
BDBM50318331 CCCCCCC1CN(C(=O)O1)c1cccc(O)c1
BDBM50318336 CCCCCCC1CN(C(=O)O1)c1ccccc1C(=O)OC
BDBM50318337 CCCCCCC1CN(C(=O)O1)c1cccc(c1)C(=O)OC
BDBM50318338 CCCCCCC1CN(C(=O)O1)c1ccc(cc1)C(=O)OC
BDBM50318339 CCCCCCC1CN(C(=O)O1)c1ccccc1S(C)(=O)=O
BDBM50318340 CCCCCCC1CN(C(=O)O1)c1cccc(c1)S(C)(=O)=O
BDBM50318341 CCCCCCC1CN(C(=O)O1)c1ccc(cc1)S(C)(=O)=O
BDBM50318347 Clc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318348 Cc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
BDBM50318349 Cc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318350 Cc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318351 CCc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
BDBM50318352 CCc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318353 CCc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318354 CC(C)c1ccccc1OCC1CN(C(=O)O1)c1ccccc1
BDBM50318355 CC(C)c1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318356 CC(C)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318357 CC(C)(C)c1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318358 CC(C)(C)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318359 COc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
BDBM50318360 COc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318361 COc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318362 Clc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
BDBM50318363 Clc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318364 FC(F)(F)c1ccccc1OCC1CN(C(=O)O1)c1ccccc1
BDBM50318365 FC(F)(F)c1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318366 FC(F)(F)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318367 Nc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318368 Nc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318369 NC(=O)c1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318308 NC(=O)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318309 CC(=O)Nc1ccccc1OCC1CN(C(=O)O1)c1ccccc1
BDBM50318310 CC(=O)Nc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
BDBM50318311 CC(=O)Nc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
BDBM50318313 CC(C)(C)c1ccc(OC[C@@H]2CN(C(=O)O2)c2cccc(c2)C#N)cc1 |r|
BDBM50318314 CC(C)(C)c1ccc(OC[C@H]2CN(C(=O)O2)c2cccc(c2)C#N)cc1 |r|
BDBM50337525 O=C1CCOc2cc(COc3ccccc3)ccc12
BDBM50337526 O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1
BDBM50339075 O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
BDBM50331744 N[C@@H](Cn1cc(nn1)C(O)=O)C(O)=O |r|
BDBM50331745 N[C@@H](Cc1cnnn1[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r|
BDBM50331746 N[C@@H](Cc1cnnn1CC(O)=O)C(O)=O |r|
BDBM50331747 N[C@@H](Cc1cn(nn1)[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r|
BDBM50331748 N[C@@H](Cc1cn(CC(O)=O)nn1)C(O)=O |r|
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50336921 CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50332631 Fc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
BDBM50332632 Clc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
BDBM50332633 Cc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
BDBM50332634 COc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
BDBM50332962 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnc1 |c:4|
BDBM50332963 Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
BDBM50332964 CCc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
BDBM50332965 Cc1cc(cc(n1)C1CC1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:19|
BDBM50332966 Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(Cl)c(Cl)cc2NC(=O)C1 |t:15|
BDBM50332967 Clc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1ccncc1 |c:5|
BDBM50332968 CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(C)c1 |c:6|
BDBM50332969 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:4|
BDBM50332970 Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:15|
BDBM50332971 CC(C)c1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
BDBM50332972 CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:6|
BDBM50332973 Cc1cc(on1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:14|
BDBM50332974 COc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
BDBM50332975 CCc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
BDBM50332976 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(Cc2ccccc2)c1 |c:4|
BDBM50332977 Cc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:15|
BDBM50332978 COCc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:18|
BDBM50332979 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccc(nc1)C1CC1 |c:4|
BDBM50332980 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncn1 |c:4|
BDBM50332981 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C1CC1 |c:4|
BDBM50332982 COCc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
BDBM50332983 Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(c(cc2NC(=O)C1)C(F)(F)F)C(F)(F)F |t:16|
BDBM50332984 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C1CCCC1 |c:4|
BDBM50332985 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1cncn1 |c:4|
BDBM50332986 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:4|
BDBM50332987 CCc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
BDBM50332988 CC(C)c1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
BDBM50332989 FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-c1ccncc1 |c:8|
BDBM50332990 Oc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1 |c:4|
BDBM50332991 Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
BDBM50332992 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnc1 |c:4|
BDBM50332993 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C#N |c:4|
BDBM50332994 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(CO)c1 |c:4|
BDBM50332995 COc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
BDBM50332996 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccc(N)nc1 |c:4|
BDBM50332997 Cc1cc(cc(CO)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
BDBM50332998 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C(C)(C)O |c:4|
BDBM50332999 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cnccn1 |c:4|
BDBM50333000 Cc1cc(ccn1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F |t:15|
BDBM50333001 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnnc1 |c:4|
BDBM50333002 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cncnc1 |c:4|
BDBM50333003 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccccn1 |c:4|
BDBM50333004 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)N1CCOCC1 |c:4|
BDBM50333005 Cn1nccc1-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F |t:14|
BDBM50333006 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)-n1cccc1 |c:4|
BDBM50333007 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C(F)(F)F |c:4|
BDBM50333008 CN(C)c1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:17|
BDBM50333009 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)-c1ccccc1 |c:4|
BDBM50333010 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1nncc1CO |c:4|
BDBM50333011 Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnn1 |c:4|
BDBM50333012 CN(C)Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:18|
BDBM50333013 Cc1nc(co1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C(F)(F)F |t:14|
BDBM50343295 COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1
BDBM50343296 COc1ccccc1N1CCN(Cc2c(Br)c(=O)n(-c3ccccc3)n2C)CC1
BDBM50343297 Cc1cc(nc(n1)N1CCCC1)C1CCN(Cc2nc3ccccc3n2C)CC1
BDBM50343298 Cn1c(CN2CCC(CC2)c2ccccc2)nc2ccccc12
BDBM50343299 Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
BDBM50343300 Cn1c(CN2CCC(CC2)c2cccc(F)c2)nc2ccccc12
BDBM50343301 Cn1c(CN2CCC(CC2)c2ccc(F)cc2)nc2ccccc12
BDBM50343302 Cn1c(CN2CCC(CC2)c2ccccc2Cl)nc2ccccc12
BDBM50343303 Cn1c(CN2CCC(CC2)c2cccc(c2)C#N)nc2ccccc12
BDBM50343304 CNC(=O)c1cccc(c1)C1CCN(Cc2nc3ccccc3n2C)CC1
BDBM50343305 Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2F)nc2ccccc12
BDBM50343306 Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
BDBM50343307 Cn1c(CN2CCC(CC2)c2ccccc2C(F)(F)F)nc2ccccc12
BDBM50343308 Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ncccc12
BDBM50343309 Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2cnccc12
BDBM50343310 Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2ccncc12
BDBM50343311 Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)nc2cccnc12
BDBM50343312 COc1cc(ccc1C1CCN(Cc2nc3ncccc3n2C)CC1)C(F)(F)F
BDBM50343313 Cn1c(CN2CCC(CC2)c2ccc(cc2F)C(F)(F)F)nc2ncccc12
BDBM50343314 Cn1c(CN2CCC(CC2)c2ccc(OC(F)(F)F)cc2F)nc2ncccc12
BDBM50343315 Cn1c(CN2CCC(C(O)C2)c2ccc(cc2)C(F)(F)F)nc2ncccc12
BDBM50343316 C[C@@H]1C[C@@H](CCN1Cc1nc2ncccc2n1C)c1ccc(cc1)C(F)(F)F |r|
BDBM50343317 Cn1c(CN2[C@H]3CC[C@@H]2CC(C3)c2ccc(cc2)C(F)(F)F)nc2ncccc12 |r,THB:12:10:4:7.6|
BDBM50343318 Cn1c(CN2CC[C@@H](c3ccc(cc3)C(F)(F)F)C(C)(C)C2)nc2ncccc12 |r|
BDBM50343319 C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1)C(F)(F)F |r|
BDBM50343320 C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(cc1)C(F)(F)F |r|
BDBM50343321 C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F |r|
BDBM50343322 C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(Cl)cc1F |r|
BDBM50343323 COc1cc(ccc1[C@@H]1CCN(Cc2nc3ncccc3n2C)C[C@@H]1C)C(F)(F)F |r|
BDBM50343324 COc1cc(ccc1[C@H]1CCN(Cc2nc3ncccc3n2C)C[C@H]1C)C(F)(F)F |r|
BDBM50343325 C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(cc1F)C(F)(F)F |r|
BDBM50343326 C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(cc1F)C(F)(F)F |r|
BDBM50343327 C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(OC(F)(F)F)cc1F |r|
BDBM50343328 C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(OC(F)(F)F)cc1F |r|
BDBM50333014 Cc1ccc2N=C(CC(=O)Nc2c1)c1ccccc1 |c:5|
BDBM50335240 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(CCc3c2)C2CCCC2)c1
BDBM50335241 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)on(C2CCCC2)c3=O)c1
BDBM50335242 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
BDBM50335243 CCCN1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
BDBM50335244 CC(C)CCN1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
BDBM50335245 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c1
BDBM50335246 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCCC2)c1
BDBM50335247 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)c2ccccc2)c1
BDBM50335248 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CC2)c1
BDBM50335249 CC(C)CN1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
BDBM50335250 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCC2)c1
BDBM50335251 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(CC4CC4)Cc3c2)c1
BDBM50335252 CC(C)N1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
BDBM50335253 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50335254 Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(Cl)c(c2)C(O)=O)c1C)C1CCCC1
BDBM50335255 Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
BDBM50346073 O=C(C1CCC1)N1CCCC2(CCCCC2)C1
BDBM50353290 C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
BDBM50353291 C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
BDBM50353292 C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
BDBM50373179 N[C@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373180 N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373181 N[C@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50373182 N[C@@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|
BDBM50376406 NC(CC1c2ccccc2Oc2ccccc12)(C1CC1(F)C(O)=O)C(O)=O |w:17.20,19.23,1.0|
BDBM50376407 N[C@](CC1c2ccccc2Oc2ccccc12)([C@@H]1C[C@@]1(F)C(O)=O)C(O)=O
BDBM50376408 N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@]1(F)C(O)=O)C(O)=O
BDBM50376466 Fc1ccc(F)c(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:13|
BDBM50376467 Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:12|
BDBM50376468 Fc1ccc(cc1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:12|
BDBM50376469 O=C1CC(=Nc2ccc(cc2N1)-c1ccccc1)c1cccc(c1)-n1ccnc1 |c:3|
BDBM50376470 Oc1cc2N=C(CC(=O)Nc2cc1-c1ccccc1F)c1cccc(c1)-n1ccnc1 |c:4|
BDBM50376471 CCOc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:6|
BDBM50376472 FC(F)(F)c1cc2NC(=O)CC(=Nc2cc1Cl)c1cccc(c1)-n1ccnn1 |c:11|
BDBM50376473 CC(C)CN(C)c1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:9|
BDBM50376474 CN(C)c1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:6|
BDBM50376475 FC(F)(F)COc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:10|
BDBM50376476 FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:8|
BDBM50376477 Clc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:5|
BDBM50376478 Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:5|
BDBM50376479 Fc1ccc(F)c(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:13|
BDBM50376480 Fc1ccc(cc1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
BDBM50376481 FC(F)(F)c1cc2NC(=O)CC(=Nc2cc1Cl)c1cccc(c1)-n1ccnc1 |c:11|
BDBM50376482 CN(C)c1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnc1 |c:6|
BDBM50376483 FC(F)(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:8|
BDBM50376484 Brc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:5|
BDBM50376485 Fc1cccc(c1)-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:12|
BDBM50376486 COc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:5|
BDBM50376487 CCc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnc1 |c:5|
BDBM50376488 CC(C)CNc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnc1 |c:8|
BDBM50376489 CC(C)CNc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:8|
BDBM50376490 FC(F)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:7|
BDBM50376491 CC(C)c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:7|
BDBM50376492 O=C1CC(=Nc2ccc(cc2N1)C1CC1)c1cccc(c1)-n1ccnc1 |c:3|
BDBM50372865 OCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnc1 |c:7|
BDBM50372866 Cn1ccnc1-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:14|
BDBM50372867 Fc1ccccc1C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:14|
BDBM50372868 Oc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnn1 |c:4|
BDBM50372869 O=C1CC(=Nc2cc(OCC#N)c(cc2N1)C#Cc1ccccc1)c1cccc(c1)-n1ccnc1 |c:3|
BDBM50372870 COCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnc1 |c:8|
BDBM50372871 Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:14|
BDBM50372872 OCc1cnnn1-c1cccc(c1)C1=Nc2cc(O)c(cc2NC(=O)C1)C#Cc1ccc(F)cc1 |t:15|
BDBM50372873 CN(C)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccccc1)c1cccc(c1)-n1ccnn1 |c:6|
BDBM50372874 CN(CCO)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1 |c:8|
BDBM50372875 OCCOc1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1 |c:7|
BDBM50372876 Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1cnnn1 |c:14|
BDBM50372877 Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1cncn1 |c:14|
BDBM50372878 Cc1cn(c(C)n1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1 |t:15|
BDBM50372879 Cc1cn(cn1)-c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccc(F)cc1 |t:14|
BDBM50372880 O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)-n1ccnc1 |c:3|
BDBM50372881 Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:14|
BDBM50366533 N[C@@]1(C[C@@H](N(C1)C(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O |r|
BDBM290432 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(\C=C\C(O)=O)c(O)c2)c(C)c1O
BDBM290433 COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC(C)C)c(C)c2C)cc1
BDBM290435 COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)cc1
BDBM290434 COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(C)c2C)cc1
BDBM290436 COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(O)c2C)cc1
BDBM290437 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C(O)=O)c(C)c1C
BDBM290438 Cc1c(C)c(ccc1OCCCCOc1ccc(cc1)C(O)=O)C(=O)CC1CCCC1
BDBM290441 CC(C)CC(=O)c1ccc(OCCCCOc2cccc(c2)C(O)=O)c(C)c1C
BDBM50398728 OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1ccc2C(=O)N(Cc2c1)C1CCCC1
BDBM50398729 CN(C)C(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
BDBM50398730 OC(=O)c1cc(ccc1F)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
BDBM50398731 OC(=O)c1cc(cc(c1)[N+]([O-])=O)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
BDBM50398732 Cc1ccc(cc1-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1)C(O)=O
BDBM50398733 Fc1cc(ccc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(F)(F)F
BDBM50398734 Fc1cc(Cl)ccc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50398735 O=C1N(Cc2cc(OCc3cccc(c3)-c3ccccc3)ccc12)C1CCCC1
BDBM50398736 COc1ccc(cc1C(O)=O)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50398737 OC(=O)c1cc(F)cc(c1)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50398738 Cc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
BDBM50398739 OC(=O)c1ccc(c(Cl)c1)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50398740 OC(=O)c1ccc(Cl)c(c1)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50398741 COc1cc(cc(OC)c1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
BDBM50398742 OC(=O)c1cc(ccc1O)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50398743 COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
BDBM50398744 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1
BDBM50398745 CC(C)CCn1sc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2c1=O
BDBM50398746 CC(C)Cn1sc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2c1=O
BDBM50398747 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCC2)c3=O)c1
BDBM50398748 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(CC2CC2)c3=O)c1
BDBM50398749 Cn1sc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2c1=O
BDBM50399080 FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1cccnc1
BDBM50399081 Fc1ccc(C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1
BDBM50399082 FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(C1)c1ccccc1
BDBM50399083 FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1Cc2ccccc2C1
BDBM50399084 FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCc2ccccc2C1
BDBM50399085 FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(F)(CC1)c1ccccc1
BDBM50399086 CCCCc1nnc2c(c(ccn12)N1CCC(CC1)c1ccccc1)C(F)(F)F
BDBM50399087 CCc1nnc2c(c(ccn12)N1CCC(CC1)c1ccccc1)C(F)(F)F
BDBM50399088 FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM50399089 Clc1c(ccn2c(CC3CC3)nnc12)N1CCN(CC1)c1ccccc1
BDBM50399090 FC(F)(F)C1(CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl)c1ccccc1
BDBM50399091 FC(F)(F)Cc1nnc2c(Cl)c(ccn12)N1CCC(F)(CC1)c1ccccc1
BDBM50399092 CCc1nnc2c(Cl)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399093 Clc1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM50399094 FC(F)(F)Cc1nnc2c(Cl)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399095 N#Cc1c(ccn2c(CN3CCCC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM50399096 COCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399097 CC(C)(C)c1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399098 N#Cc1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM50399099 FC(F)(F)Cc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399100 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399101 CCCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399102 CCCc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399103 CCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50399104 CCc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
BDBM50397661 N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
BDBM50383335 COc1ccccc1-c1ccn(CCC(C)C)c(=O)c1C#N
BDBM50383336 COc1ccc(cc1F)-c1ccn(CCC(C)C)c(=O)c1C#N
BDBM50383337 COc1ccc(cc1Cl)-c1ccn(CCC(C)C)c(=O)c1C#N
BDBM50383338 COc1ccc(cc1OC)-c1ccn(CCC(C)C)c(=O)c1C#N
BDBM50383339 CC(C)CCn1ccc(-c2ccc(OCC3CC3)cc2)c(C#N)c1=O
BDBM50383340 CC(C)CCn1ccc(-c2ccc(OCC3CC3)c(Cl)c2)c(C#N)c1=O
BDBM50383341 CC(C)CCn1ccc(-c2ccc(OC3CCCC3)c(Cl)c2)c(C#N)c1=O
BDBM50383342 CC(C)CCn1ccc(-c2ccc(OC3CCOCC3)c(Cl)c2)c(C#N)c1=O
BDBM50383343 CC(C)CCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2)c(C#N)c1=O
BDBM50383344 Cc1cc(Oc2ccc(cc2)-c2ccn(CC3CCC3)c(=O)c2C#N)ccn1
BDBM50383345 CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2)c(C#N)c1=O
BDBM50383346 Cc1cc(Oc2ccc(cc2)-c2ccn(CC3CC3)c(=O)c2C#N)ccn1
BDBM50383347 CCCCn1ccc(-c2ccc(Oc3cccnc3C)cc2)c(C#N)c1=O
BDBM50383348 CC(C)CCn1ccc(-c2ccc(Oc3cccnc3C)cc2)c(C#N)c1=O
BDBM50383349 Cc1ncccc1Oc1ccc(cc1)-c1ccn(CC2CC2)c(=O)c1C#N
BDBM50383350 CCCCn1ccc(-c2ccc(Oc3ccc(C)nc3C)cc2)c(C#N)c1=O
BDBM50383351 CC(C)CCn1ccc(-c2ccc(Oc3ccc(C)nc3C)cc2)c(C#N)c1=O
BDBM50383352 Cc1ccc(Oc2ccc(cc2)-c2ccn(CC3CC3)c(=O)c2C#N)c(C)n1
BDBM50383353 CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)c(Cl)c2)c(C#N)c1=O
BDBM50383354 CC(C)CCn1ccc(-c2ccc(Oc3ccccn3)cc2)c(C#N)c1=O
BDBM50383355 CC(C)CCn1ccc(-c2ccc(Oc3cccnc3)cc2)c(C#N)c1=O
BDBM50383356 CC(C)CCn1ccc(-c2ccc(Oc3ccncc3)cc2)c(C#N)c1=O
BDBM50383357 CNc1ccc(cc1)-c1ccn(CCC(C)C)c(=O)c1C#N
BDBM50383358 CC(C)CCn1ccc(-c2ccc(NC3CCOCC3)c(Cl)c2)c(C#N)c1=O
BDBM50383359 CC(C)CCn1ccc(-c2ccc(cc2)N2CCOCC2)c(C#N)c1=O
BDBM50383360 CC(C)CCn1ccc(-c2ccc(Nc3ccncc3)cc2)c(C#N)c1=O
BDBM50383361 CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2Cl)c(C#N)c1=O
BDBM50383362 CCCCn1ccc(-c2ccc(Oc3cccnc3C)c(Cl)c2)c(C#N)c1=O
BDBM50383363 Cc1ncccc1Oc1ccc(cc1Cl)-c1ccn(CC2CC2)c(=O)c1C#N
BDBM50383364 CCCCn1ccc(-c2ccc(Oc3ccc(C)nc3C)c(Cl)c2)c(C#N)c1=O
BDBM50383365 Cc1ccc(Oc2ccc(cc2Cl)-c2ccn(CC3CC3)c(=O)c2C#N)c(C)n1
BDBM50383366 CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)c(F)c2)c(C#N)c1=O
BDBM50383367 CCCCn1ccc(-c2ccc(Oc3ccnc(C)c3)cc2F)c(C#N)c1=O
BDBM50383368 CCCCn1ccc(-c2ccc(Oc3cc(C)nc(C)c3)c(F)c2)c(C#N)c1=O
BDBM50383369 CC(C)CCn1ccc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1=O
BDBM50383332 CC(C)CCn1ccc(-c2ccccc2)c(C#N)c1=O
BDBM50383333 COc1ccc(cc1)-c1ccn(CCC(C)C)c(=O)c1C#N
BDBM50383334 COc1cccc(c1)-c1ccn(CCC(C)C)c(=O)c1C#N
BDBM50388941 O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|
BDBM50393310 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(Oc2ccccc2)cc1
BDBM50393311 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(OC2CCOCC2)c(Cl)c1
BDBM50393312 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CCOCC2)c(Cl)c1
BDBM50393313 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(N2CCOCC2)c(Cl)c1
BDBM50393314 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2NCCOc2c1
BDBM50393315 Cn1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
BDBM50393316 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2n(CC3CC3)ccc2c1
BDBM50393317 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2n(ccc2c1)C1CCOCC1
BDBM50393318 O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N |r,wU:1.0,wD:4.7,(14.9,-7.41,;15.73,-6.12,;15.02,-4.75,;15.85,-3.46,;17.39,-3.53,;18.1,-4.89,;17.27,-6.19,;18.21,-2.23,;17.33,-.98,;18.24,.27,;19.7,-.22,;21.04,.54,;22.37,-.25,;22.36,-1.79,;21.02,-2.55,;19.69,-1.76,;23.71,.51,;25.04,-.28,;26.38,.48,;26.39,2.02,;27.55,3.05,;29.09,3.05,;29.89,4.35,;31.43,4.31,;29.16,5.71,;30.65,5.69,;26.93,4.45,;25.4,4.31,;25.07,2.81,;23.73,2.05,;22.4,2.83,;21.08,3.61,)|
BDBM50393319 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1cc(Cl)c2[nH]ccc2c1
BDBM50393320 Cn1ccc2cc(cc(Cl)c12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
BDBM50393321 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1cc(Cl)c2n(CC3CC3)ccc2c1
BDBM50393322 O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1Cl |r,wU:1.0,wD:4.7,(14.04,-34.61,;14.86,-33.31,;14.14,-31.95,;14.97,-30.65,;16.51,-30.72,;17.22,-32.08,;16.4,-33.38,;17.33,-29.42,;16.45,-28.16,;17.37,-26.93,;18.83,-27.43,;20.17,-26.68,;21.49,-27.47,;21.47,-29,;20.12,-29.75,;18.81,-28.97,;22.84,-26.72,;24.16,-27.5,;25.5,-26.75,;25.52,-25.22,;26.68,-24.2,;28.23,-24.21,;29.04,-22.9,;30.58,-22.94,;28.3,-21.54,;29.79,-21.55,;26.08,-22.79,;24.55,-22.93,;24.21,-24.43,;22.86,-25.18,;21.54,-24.38,)|
BDBM50393323 O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)cnc2c1Cl |r,wU:1.0,wD:4.7,(-11.28,-42.22,;-9.94,-43.02,;-8.59,-42.26,;-7.27,-43.06,;-7.29,-44.6,;-8.64,-45.34,;-9.97,-44.55,;-5.97,-45.38,;-4.63,-44.62,;-4.63,-43.08,;-3.3,-42.31,;-1.97,-43.09,;-1.98,-44.62,;-3.31,-45.39,;-3.31,-46.93,;-.63,-42.31,;.7,-43.09,;2.03,-42.31,;2.04,-40.78,;3.18,-39.75,;4.73,-39.75,;5.53,-38.45,;7.07,-38.49,;4.8,-37.09,;6.29,-37.11,;2.55,-38.35,;1.02,-38.51,;.7,-40.01,;-.63,-40.77,;-1.97,-40,)|
BDBM50393324 FC(F)(F)Cc1cnc2c(Cl)c(ccn12)-c1cc(Cl)c2[nH]ccc2c1
BDBM50393325 FC(F)(F)Cc1cnc2c(Cl)c(ccn12)-c1cc(Cl)c2n(CC3CC3)ccc2c1
BDBM50392432 C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
BDBM50408687 NC(CCc1cccc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50408688 NC(CCC12CC3CC(CC(C3)C1)C2)([C@H]1C[C@@H]1C(O)=O)C(O)=O |TLB:11:10:13:6.5.7,11:6:13:10.12.9,THB:9:10:5:8.13.7,9:8:5:10.12.11|
BDBM50408689 CCC(N)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50408690 NC(CCCCc1ccccc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50408691 Cn1cc(CCC(N)([C@H]2C[C@@H]2C(O)=O)C(O)=O)c2ccccc12
BDBM50408692 NC(CCCc1ccccc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50408693 NC(CCc1ccccc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50408694 NC(CCc1ccsc1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50408695 NC(CC1CCCCC1)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50408696 CS(=O)(=O)c1cccc(CC[C@@](N)(C2C[C@@H]2C(O)=O)C(O)=O)c1
BDBM50408697 NC(CCc1cccc(c1)C(O)=O)([C@H]1C[C@@H]1C(O)=O)C(O)=O
BDBM50407818 N[C@@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407819 N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407820 N[C@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407821 N[C@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407822 N[C@@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407823 N[C@@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407824 N[C@@H]([C@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407825 N[C@H]([C@@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407826 N[C@@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407827 N[C@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407828 N[C@@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407829 N[C@H]([C@@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407830 N[C@H]([C@H]1[C@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50407831 N[C@H]([C@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
BDBM50401385 COc1cc(F)cc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
BDBM50401386 COc1ccc(F)c(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
BDBM50401387 COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
BDBM50401388 COc1cccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
BDBM50401389 COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
BDBM50401390 Fc1ccc(C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)c(F)c1
BDBM50401391 COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
BDBM50401392 COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
BDBM50401393 COc1c(F)c(F)ccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
BDBM50401394 COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
BDBM50401395 COc1ccccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
BDBM50401396 COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC(F)(F)F)nnc2c1Cl
BDBM50400856 N[C@H](C(O)=O)C12C3C4C1C1C2C3C41C(O)=O |r,wD:1.0,(-9.37,16.3,;-10.74,15.01,;-10.16,13.1,;-10.55,11.61,;-8.66,13.5,;-12.33,15.27,;-13.66,14.5,;-14.05,15.98,;-12.72,16.76,;-13.49,18.08,;-13.48,16.44,;-14.82,15.77,;-14.82,17.31,;-15.9,18.41,;-15.51,19.89,;-17.4,18.02,)|
BDBM50401397 COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC(F)(F)F)nnc2c1C#N
BDBM50401085 COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r|
BDBM50401086 COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
BDBM50401091 Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r|
BDBM277159 CC(N1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O)c1cnnn1C
BDBM277161 CC(N1CCc2c(C1)nc(cc2-c1cnn(c1)C(F)F)C(N)=O)c1ccnc(c1)C(F)(F)F
BDBM277085 CC1(C)CC(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)CCO1
BDBM277137 COc1cc(ccn1)C(N1CCc2c(C1)nc(cc2-c1cnn(C)c1)C(N)=O)C(F)(F)F
BDBM277141 COc1cc(ccn1)C(N1CCc2c(C1)nc(cc2C1=CCC(C)CC1)C(N)=O)C(F)(F)F |t:22|
BDBM50415226 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(OCc2ccccc2)cc1
BDBM50415227 CCCCn1ccc(N2CCN(CC2)c2nc(C)cc(C)n2)c(C#N)c1=O
BDBM50415228 CCCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1ccccc1
BDBM50415229 N#Cc1c(ccn2c(cnc12)-c1ccccc1)N1CCN(CC1)c1ccccc1
BDBM50415230 CCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1ncccn1
BDBM50415231 CCCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1ncccn1
BDBM50415232 N#Cc1c(ccn2c(CCC3CC3)cnc12)N1CCN(CC1)c1ncccn1
BDBM50415233 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1ncccn1
BDBM50415234 CCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1nc(C)cc(C)n1
BDBM50415235 CCCc1cnc2c(C#N)c(ccn12)N1CCN(CC1)c1nc(C)cc(C)n1
BDBM50415236 Cc1cc(C)nc(n1)N1CCN(CC1)c1ccn2c(CC(F)(F)F)cnc2c1C#N
BDBM50415237 CC(C)(C)c1ccc(cc1)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
BDBM50415238 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(cc1)N1CCCCC1
BDBM50415239 FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CC2)c(Cl)c1
BDBM50415268 Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2F)nc2ccccc12
BDBM50415269 Cn1c(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc2ccccc12
BDBM50415270 Cn1c(CN2CCN(CC2)c2nc3ccccc3s2)nc2ccccc12
BDBM50415271 Cn1c(CN2CCN(CC2)c2ccc(cn2)C(F)(F)F)nc2ccccc12
BDBM50415272 Cn1c(CN2CCN(CC2)c2ccccn2)nc2ccccc12
BDBM50415273 Cn1c(CN2CCN(CC2)c2ccc(cc2)C#N)nc2ccccc12
BDBM50415274 CCn1c(CN2CCN(CC2)c2nc(ccc2Cl)C(F)(F)F)nc2ccccc12
BDBM50415275 FC(F)(F)c1ccc(Cl)nc1N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1
BDBM50415276 Clc1cnc(nc1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1
BDBM50415277 COCCn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2ccccc12
BDBM50415278 CCn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
BDBM50415279 COCCn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
BDBM50415280 CCCn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
BDBM50415281 Cn1c(CN2CCC(CC2)c2ccc(Cl)cc2)nc2ccccc12
BDBM50415282 Cn1c(CN2CCC(CC2)c2cccc(c2)C(F)(F)F)nc2ccccc12
BDBM50415283 Cn1c(CN2CCC(CC2)c2cccc(Cl)c2)nc2ccccc12
BDBM50415284 Cn1c(CN2CCC(CC2)c2nc3ccccc3s2)nc2ccccc12
BDBM50415285 Cn1c(CN2CCC(CC2)c2nsc3ccccc23)nc2ccccc12
BDBM50415286 Cn1c(CN2CCC(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
BDBM50415287 Cn1c(CN2CCC(CC2)c2ccccn2)nc2ccccc12
BDBM50415288 Cn1c(CN2CCN(CC2)c2ccccc2)nc2ccccc12
BDBM50415289 Cn1c(CN2CCN(CC2)c2ccccc2F)nc2ccccc12
BDBM50415290 Cn1c(CN2CCN(CC2)c2ccccc2C(F)(F)F)nc2ccccc12
BDBM50415291 Cn1c(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)nc2ccccc12
BDBM50415292 Cn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
BDBM50415293 CCCn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2ccccc12
BDBM50415294 FC(F)(F)c1ccc(Cl)nc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
BDBM50415295 Clc1cnc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
BDBM50415296 COc1ccc2n(C)c(CN3CCN(CC3)c3nc(Cl)ccc3C(F)(F)F)nc2c1
BDBM50415297 Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2cc(ccc12)C#N
BDBM50415298 Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2cc(ccc12)C(F)(F)F
BDBM50415299 Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2ccc(F)cc12
BDBM50415300 Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2cc(F)ccc12
BDBM50426289 N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O |r|
BDBM50426290 N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O |r|
BDBM50426285 CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50426287 NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50426288 NCC[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
BDBM50417835 CCCn1ccc2cc(OCc3cccnc3)cc(Cl)c2c1=O
BDBM50417836 CCCn1ccc2cc(NCc3cccnc3)cc(Cl)c2c1=O
BDBM50417837 CCCn1ccc2cc(OCCc3cccnc3)cc(Cl)c2c1=O
BDBM50417838 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(nc1)N(C)C
BDBM50417839 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(nc1)N1CCOCC1
BDBM50417840 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OC)nc1
BDBM50417841 CCCn1ccc2cc(OCCCc3cccnc3)cc(Cl)c2c1=O
BDBM50417815 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cnc(OC)c(F)c1
BDBM50417816 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(Oc2ccccc2)nc1
BDBM50417817 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCCc2ccccc2)nc1
BDBM50417818 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2cccnc2)nc1
BDBM50417819 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OC)cc1
BDBM50417820 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(Oc2ccccc2)cc1
BDBM50417821 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(Oc2ccncc2)cc1
BDBM50417822 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2cccnc2)cc1
BDBM50417823 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2ccc(Cl)nc2)cc1
BDBM50417824 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccc(OCc2ccc(nc2)C(F)(F)F)cc1
BDBM50417827 CCCn1ccc2cc(cc(C#N)c2c1=O)-c1cccnc1
BDBM50417828 CCCn1ccc2cc(cc(Cl)c2c1=O)N1CCOCC1
BDBM50417829 CCCn1ccc2cc(cc(Cl)c2c1=O)N1CCC(O)CC1
BDBM50417830 CCCn1ccc2cc(cc(Cl)c2c1=O)N1CCNCC1
BDBM50417831 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1ccncc1
BDBM50417832 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cccnc1
BDBM50417833 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cncnc1
BDBM50417825 CCCn1ccc2cc(ccc2c1=O)N1CCOCC1
BDBM50417826 CCCn1ccc2cc(ccc2c1=O)-c1cccnc1
BDBM50417834 CCCn1ccc2cc(cc(Cl)c2c1=O)-c1cn[nH]c1
BDBM50434128 N[C@@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O |r|
BDBM50434129 N[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O |r|
BDBM50434130 N[C@]1(C[C@H](N=[N+]=[N-])[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434131 N[C@]1(C[C@@H](N=[N+]=[N-])[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434132 N[C@]1(C[C@@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434133 N[C@]1(C[C@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434134 N[C@]1(CC(=C)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434135 N[C@]1(C[C@@H](F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434136 N[C@]1(CC(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434137 CC(=O)N[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O |r|
BDBM50434138 N[C@]1(C[C@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434139 N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50434140 CC(=O)N[C@@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O |r|
BDBM50440205 O=C1CCCc2nc(sc12)C#Cc1ccccc1
BDBM50440185 CN1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50017207 CCCC(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
BDBM50017227 CC(C)CC(=O)c1ccc(OCCCCOc2cccc(c2)C(O)=O)c(C)c1O
BDBM50017228 Cc1c(O)c(ccc1OCCCCOc1cccc(c1)C(O)=O)C(=O)CC1CCCC1
BDBM50017243 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(Cl)c2)c(C)c1O
BDBM50017246 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
BDBM50017247 Cc1c(O)c(ccc1OCCCCOc1ccc(F)c(c1)C(O)=O)C(=O)CC1CCCC1
BDBM50017249 Cc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
BDBM50017610 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccc(F)cc1
BDBM50017611 Cc1ccc2c(c1)n1nc(cc1n(C)c2=O)-c1ccc(F)cc1
BDBM50017612 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1ccc(Cl)cc1
BDBM50017660 OCCn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccccc1
BDBM50017663 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cncnc1)-c1ccccc1
BDBM50017251 Cc1cc(ccc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
BDBM50017252 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2F)C(O)=O)c(C)c1O
BDBM50017253 Cc1c(O)c(ccc1OCCCCOc1ccc(cc1F)C(O)=O)C(=O)CC1CCCC1
BDBM50017255 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2Cl)C(O)=O)c(C)c1O
BDBM50017256 Cc1c(O)c(ccc1OCCCCOc1ccc(cc1Cl)C(O)=O)C(=O)CC1CCCC1
BDBM50017259 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
BDBM50017260 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
BDBM50017263 CC(C)C(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
BDBM50017265 CCCC(=O)c1ccc(OCCCCOc2cc(ccc2OC)C(O)=O)c(C)c1O
BDBM50017266 CCCC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
BDBM50017268 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
BDBM50017269 COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
BDBM50017271 Cc1c(O)c(ccc1OCCCCOc1ccc(F)c(c1)C(O)=O)C(=O)CC(C)(C)C
BDBM50017272 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(CCC(O)=O)c(O)c2)c(C)c1O
BDBM50017275 Cc1c(C)c(ccc1OCCCCOc1ccccc1C(O)=O)C(=O)CC1CCCC1
BDBM50017277 Cc1c(O)c(ccc1OCCCCOc1ccccc1C(O)=O)C(=O)CC1CCCC1
BDBM50022759 Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
BDBM50017278 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(Cl)c2)c(C)c1C
BDBM50017280 COc1ccc(cc1OCCCCOc1ccc(C(C)=O)c(O)c1C)C(O)=O
BDBM50017283 CC(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
BDBM50017286 CCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
BDBM50017288 COc1cc(ccc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C)C(O)=O
BDBM50017289 CC(C)C(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
BDBM50017290 CC(C)C(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
BDBM50017211 COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
BDBM50017212 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C(O)=O)c(C)c1O
BDBM50017213 Cc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(O)=O)C(=O)CC1CCCC1
BDBM50017230 Cc1c(C)c(ccc1OCCCCOc1ccc(C(O)=O)c(Cl)c1)C(=O)CC1CCCC1
BDBM50017245 Cc1c(O)c(ccc1OCCCCOc1ccc(C(O)=O)c(Cl)c1)C(=O)CC1CCCC1
BDBM50017248 CC(C)CC(=O)c1ccc(OCCCCOc2cc(ccc2C)C(O)=O)c(C)c1O
BDBM50017250 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
BDBM50017254 Cc1c(O)c(ccc1OCCCCOCOc1ccc(cc1)C(O)=O)C(=O)CC1CCCC1
BDBM50017257 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(C)c2)c(C)c1O
BDBM50017258 Cc1cc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(O)c2C)ccc1C(O)=O
BDBM50017261 CCC(=O)c1ccc(OCCCCOc2cc(ccc2OC)C(O)=O)c(C)c1O
BDBM50017262 COc1ccc(cc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C)C(O)=O
BDBM50017264 CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(O)=O)c(C)c1O
BDBM50017596 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1ccccc1
BDBM50017599 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1cccc(F)c1
BDBM50017601 COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1cccc(c1)S(N)(=O)=O
BDBM50017603 COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1cccnc1
BDBM50017605 Cc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1cccnc1
BDBM50017267 CCCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
BDBM50017270 Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC(C)(C)C
BDBM50017273 CC(C)CC(=O)c1ccc(OCCCCOc2ccc3ccc(=O)oc3c2)c(C)c1O
BDBM50017274 CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2C(O)=O)c(C)c1C
BDBM50017276 CC(C)CC(=O)c1ccc(OCCCCOc2ccccc2C(O)=O)c(C)c1O
BDBM50017279 COc1cc(ccc1OCCCCOc1ccc(C(C)=O)c(O)c1C)C(O)=O
BDBM50017281 CC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
BDBM50017282 CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
BDBM50017608 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccc(c1)S(N)(=O)=O)-c1ccc(F)cc1
BDBM50017609 COc1ccc(cc1)-c1ccc2c(c1)n1nc(cc1n(C)c2=O)-c1ccc(F)cc1
BDBM50017654 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccc(Cl)cc1
BDBM50017658 CC(=O)n1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccccc1
BDBM50017661 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccncc1)-c1ccccc1
BDBM50017664 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccc2cn[nH]c2c1)-c1ccccc1
BDBM50017597 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccccc1)-c1ccccc1
BDBM50017598 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccccc1
BDBM50017600 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1cccc(F)c1
BDBM50017602 COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(cc3n2n1)-c1ccccc1
BDBM50017284 CCC(=O)c1ccc(OCCCCOc2ccc(cc2OC)C(O)=O)c(C)c1O
BDBM50017285 CCC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
BDBM50017287 CCC(=O)c1ccc(OCCCCOc2ccc(cc2C)C(O)=O)c(C)c1O
BDBM50017665 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1ccc2ccncc2c1)-c1ccccc1
BDBM50017604 COc1cccc(c1)-c1cc2n(C)c(=O)c3ccc(C)cc3n2n1
BDBM50017606 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1cccc(Cl)c1
BDBM50017607 Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1cccc(Br)c1
BDBM50081054 CC(O)c1ccc(cc1)N1C[C@H](C)n2ncc(c2C1=O)-c1ccnc(C)c1 |r|
BDBM50088290 NC1(CC1(F)CP(O)(O)=O)C(O)=O
BDBM50051408 CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
BDBM50051414 CC(C)CCn1ccc(CCc2ccccc2)c(C#N)c1=O
BDBM50051418 CC(C)CCn1ccc(OCc2ccccc2)c(C#N)c1=O
BDBM50051420 CC(C)CCn1ccc(N(C)Cc2ccccc2)c(C#N)c1=O
BDBM50051428 CC(C)CCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
BDBM50051490 CC(C)CCn1ccc(N2CCCC(C2)c2ccccc2)c(C#N)c1=O
BDBM50051519 CC(C)CCn1ccc(N2CCCCC2)c(C#N)c1=O
BDBM50051558 CC(C)CCn1ccc(N2CCN(CC2)c2ccccn2)c(C#N)c1=O
BDBM50051559 CC(C)CCn1ccc(N2CCN(Cc3ccccc3)CC2)c(C#N)c1=O
BDBM50051566 CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
BDBM50051570 O=c1c(C#N)c(ccn1CC1CCC1)N1CCC(CC1)c1ccccc1
BDBM50051571 O=c1c(C#N)c(ccn1CC1CC1)N1CCC(CC1)c1ccccc1
BDBM50051572 O=c1c(C#N)c(ccn1CCC1CC1)N1CCC(CC1)c1ccccc1
BDBM50051574 FC(F)(F)CCCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
BDBM50051575 Fc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051576 Fc1cccc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051577 Fc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051579 Clc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051580 Clc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051581 FC(F)(F)c1cccc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051582 COc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051583 COc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051584 Fc1ccc(C2CCN(CC2)c2ccn(CC3CC3)c(=O)c2C#N)c(F)c1
BDBM50051587 Fc1cccc(F)c1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50051590 Clc1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccccc1
BDBM50051591 FC(F)(F)c1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccccc1
BDBM50051607 CC(C)Cn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
BDBM50051421 CC(C)CCn1ccc(N2CCc3ccccc3C2)c(C#N)c1=O
BDBM50051557 CC(C)CCn1ccc(N2CCN(CC2)c2ccccc2)c(C#N)c1=O
BDBM50051569 CC(C)Cn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
BDBM50051589 Fc1cc(F)cc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
BDBM50064444 Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
BDBM50064463 Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O
BDBM50081048 CCC1CN(C(=O)c2c(cnn12)-c1ccnc(C)c1)c1ccc(cc1)C(F)(F)F
BDBM50081051 C[C@H]1CN(C(=O)c2c(cnn12)-c1ccnc(C)c1)c1ccc(cc1)C(F)(F)F |r|
BDBM50081052 C[C@H]1CN(C(=O)c2c(cnn12)-c1ccnc(c1)C#N)c1ccc(c(Cl)c1)C(F)(F)F |r|
BDBM50134443 Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM222972 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1ccon1 |t:18|
BDBM50121647 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
BDBM50121651 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
BDBM50121652 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
BDBM50121653 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(C)C)C(O)=O |r|
BDBM50121655 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc[nH]1)C(O)=O |r|
BDBM50134466 Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
BDBM50145199 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cc(ccc1C#N)C(C)(C)O
BDBM50145205 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1S(C)(=O)=O
BDBM50145208 Cc1ccc(cc1)-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
BDBM50145211 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccc(cc1)C#N
BDBM50145340 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1C#N
BDBM50145373 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1
BDBM50145376 Cn1c2cc(OCc3cccc(c3)-c3cc(F)cc(c3)C(O)=O)ccc2n(CC(C)(C)C)c1=O
BDBM50121539 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
BDBM50145374 Cn1c2cc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1
BDBM50116512 FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50145200 Cc1ccc(CO)cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
BDBM50145201 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccc(CO)cc1
BDBM50145203 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccc(cc1)S(C)(=O)=O
BDBM50145204 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cccc(c1)S(C)(=O)=O
BDBM50145209 Cc1cccc(c1)-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
BDBM50145202 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cccc(CO)c1
BDBM50145206 COc1ccccc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
BDBM50145207 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1ccccc1F
BDBM50145210 Cc1ccccc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
BDBM222967 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1csnn1 |t:18|
BDBM222968 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1cccnc1 |t:18|
BDBM222969 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)C1CC1 |t:18|
BDBM222970 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)Cn1cncn1 |t:18|
BDBM222971 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1ncco1 |t:18|
BDBM222973 Cn1c2nc(ccc2n(CC2CC2(F)F)c1=O)C1=CC2CCC1CN2C(=O)c1ccon1 |t:20|
BDBM222975 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)CO |t:18|
BDBM222976 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)C1(O)CCC1 |t:18|
BDBM50121654 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1c[nH]nn1)C(O)=O |r|
BDBM222977 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)c1ncco1 |t:18|
BDBM222979 Cn1c2nc(ccc2n(CC2CC2(F)F)c1=O)C1=CC2CN(CC2C1)C(=O)c1ncco1 |t:20|
BDBM222984 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCC(C)(C)C(C1)NC(=O)c1cnsn1
BDBM222987 CN1c2nc(ccc2N(CC2CC2(F)F)S1(=O)=O)C1=CC2CN(CC2C1)C(=O)C(C)(C)O |t:21|
BDBM222990 CC1C(C1C(C)(C)O)c1ccc2N(CC3CC3(F)F)S(=O)(=O)N(C)c2n1
BDBM50121538 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
BDBM50121540 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
BDBM50121599 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
BDBM50121641 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(C)C)C(O)=O |r|
BDBM50121642 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1c[nH]nn1)C(O)=O |r|
BDBM50121643 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
BDBM50121646 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
BDBM50145198 Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O
BDBM50145335 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cccc(c1)C#N
BDBM50145375 COc1ccc2n(CC(C)(C)C)c(=O)n(C)c2c1
BDBM252802 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(C)c1)-c1cc(C)nc(CF)c1 |r|
BDBM252803 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
BDBM252804 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CF)c1 |r|
BDBM252805 Cc1cc(cc(CF)n1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252806 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(c1)C#N)-c1cc(C)nc(CF)c1 |r|
BDBM252807 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(C)c1)-c1cc(C)nc(CF)c1 |r|
BDBM252808 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(Cl)c1)-c1cc(C)nc(CF)c1 |r|
BDBM252809 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(F)c1)-c1cc(C)nc(CF)c1 |r|
BDBM252810 Cc1cc(cc(CF)n1)-c1nc(-c2ccc(OC(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252811 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(C)c1)-c1cc(C)nc(CF)c1 |r|
BDBM252812 COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CF)c1 |r|
BDBM252813 COc1ccc(cc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
BDBM252815 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(OC(F)F)c2)n2CCOCCc12
BDBM252639 COc1ccc(cc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252705 CCOc1cc(ccc1Cl)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252706 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(Cl)c2)n2CCOCCc12
BDBM252707 COc1ccc(cc1C)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252816 CCOc1cc(ccc1CC)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252817 CCOc1cc(ccc1CC)-c1nc(c2CCOCCn12)-c1ccnc(C)c1
BDBM252818 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)F)c(Cl)c2)n2CCOCCc12
BDBM252819 CCOc1ccc(cc1Cl)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252820 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OCC3CC3)c(Cl)c2)n2CCOCCc12
BDBM252821 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OCC(F)F)c(Cl)c2)n2CCOCCc12
BDBM252822 CCOc1cc(ccc1CC)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252823 CCOc1cc(ccc1CC)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252814 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(CF)c2)n2CCOCCc12
BDBM252708 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(F)c2)n2CCOCCc12
BDBM252710 Cc1cc(cc(C)n1)-c1nc(-c2ccc(c(F)c2)C(F)(F)F)n2CCOCCc12
BDBM252711 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(c2)C(F)(F)F)n2CCOCCc12
BDBM252712 Cc1cc(cc(C)n1)-c1nc(-c2ccc(c(Cl)c2)C(F)(F)F)n2CCOCCc12
BDBM252713 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(C)c2)n2CCOCCc12
BDBM252714 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(c2)C#N)n2CCOCCc12
BDBM252715 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)n2CCOCCc12
BDBM252824 CCc1ccc(cc1OCC1CC1)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252825 CCc1ccc(cc1OCC1CC1)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252826 CCOc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252827 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C)c(OCC2CC2)c1)-c1ccnc(C)c1 |r|
BDBM252828 CCOc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252829 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C)c(OCC2CC2)c1)-c1cc(C)nc(C)c1 |r|
BDBM252830 CC(C)COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM160556 COc1c(ncn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM252716 Cc1cc(cc(C)n1)-c1nc(-c2ccc(c(C)c2)C(F)(F)F)n2CCOCCc12
BDBM252717 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252718 Cc1cc(ccc1OC(F)(F)F)-c1nc(c2CCOCCn12)-c1ccnc(F)c1
BDBM252719 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(c2)C#N)n2CCOCCc12
BDBM252720 COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252721 Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)c(C)c2)n2CCOCCc12
BDBM252722 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)F)c(F)c2)n2CCOCCc12
BDBM252723 Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)F)c(F)c2)n2CCOCCc12
BDBM252831 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C)c(OCC2CCOCC2)c1)-c1cc(C)nc(C)c1 |r|
BDBM252832 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(CO)c1)-c1cc(C)nc(C)c1 |r|
BDBM252833 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(CO)c1)-c1ccnc(C)c1 |r|
BDBM252834 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(CF)c1)-c1cc(C)nc(C)c1 |r|
BDBM252835 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2COC2)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252836 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)F)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252837 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(CF)c1)-c1cc(C)nc(C)c1 |r|
BDBM252724 COc1cc(ccc1C(F)F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252725 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252726 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCOCCn12)-c1ccnc(C)c1
BDBM252727 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(C)c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252728 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(c2)C(F)F)n2CCOCCc12
BDBM252729 Cc1cc(ccn1)-c1nc(-c2ccc(Cl)c(c2)C(F)F)n2CCOCCc12
BDBM252730 COc1cc(ccc1OC(F)F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252838 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(CO)c1)-c1cc(C)nc(C)c1 |r|
BDBM252839 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(CF)c1)-c1ccnc(C)c1 |r|
BDBM252840 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(CO)c1)-c1ccnc(C)c1 |r|
BDBM252841 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(CF)c1)-c1cc(C)nc(C)c1 |r|
BDBM252842 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OCCF)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252843 COc1cc(ccc1C(C)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252844 CCOc1ccc(cc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252731 COc1cc(ccc1C(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252732 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(Cl)c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252733 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(c1)C#N)-c1cc(C)nc(C)c1 |r|
BDBM252734 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(c1)C(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252735 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(Cl)c1)C(F)(F)F)-c1ccnc(C)c1 |r|
BDBM252736 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252737 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(F)c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252845 CC(C)Oc1ccc(cc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252846 CCOc1ccc(cc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252847 CC(C)Oc1ccc(cc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252848 COc1ccc(cc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252738 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC3CC3)c(Cl)c2)n2CCOCCc12
BDBM252739 COc1cc(ccc1F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252740 Cc1cc(cc(C)n1)-c1nc(-c2ccc(C(F)F)c(Cl)c2)n2CCOCCc12
BDBM252741 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252742 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(c(F)c1)C(F)(F)F)-c1ccnc(C)c1 |r|
BDBM252743 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252744 COc1cc(ccc1F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252745 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(cc1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252746 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252747 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC3CC3)c(OC(F)(F)F)c2)n2CCOCCc12
BDBM252748 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(Cl)c1)-c1ccnc(C)c1 |r|
BDBM252749 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C(F)F)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252750 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(F)c1)-c1cc(C)nc(C)c1 |r|
BDBM252751 COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252752 COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252754 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(c1)C(F)(F)F)-c1ccnc(C)c1 |r|
BDBM252755 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(c1)C(F)(F)F)-c1ccnc(C)c1 |r|
BDBM252756 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(Cl)c1)-c1ccnc(C)c1 |r|
BDBM252757 COc1ccc(cc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252758 COc1ccc(cc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252759 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CO)c1 |r|
BDBM160807 COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
BDBM252760 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OC(F)(F)F)c1)-c1cc(C)nc(C)c1 |r|
BDBM252761 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OC(F)(F)F)c1)-c1ccnc(C)c1 |r|
BDBM252762 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(Cl)c1)-c1ccnc(C)c1 |r|
BDBM252763 COc1cc(ccc1C(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
BDBM252764 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252765 Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252766 COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252767 COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
BDBM252768 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252769 Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252770 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC3CC3)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252771 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(c1)C#N)-c1cc(C)nc(C)c1 |r|
BDBM252772 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(c1)C#N)-c1ccnc(C)c1 |r|
BDBM252773 Cc1cc(cc(CO)n1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252774 Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252775 Cc1cc(ccn1)-c1nc(-c2ccc(F)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252776 Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(c2)C(F)(F)F)n2C[C@@H](CF)OCCc12 |r|
BDBM252777 Cc1cc(ccn1)-c1nc(-c2ccc(F)c(c2)C(F)(F)F)n2C[C@@H](CF)OCCc12 |r|
BDBM252778 COc1ccc(cc1OC(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252779 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252780 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(C)c1)-c1cc(C)nc(CO)c1 |r|
BDBM252781 COc1ccc(cc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252782 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(C)c1)-c1cc(C)nc(CO)c1 |r|
BDBM252783 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(F)c1)-c1cc(C)nc(CO)c1 |r|
BDBM252784 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(F)c1)-c1cc(C)nc(C)c1 |r|
BDBM252786 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(C)c(c1)C(F)(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252787 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OC(F)F)c1)-c1cc(C)nc(C)c1 |r|
BDBM252788 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OC(F)F)c1)-c1ccnc(C)c1 |r|
BDBM252789 Cc1cc(cc(C)n1)-c1nc(-c2ccc(c(C)c2)C(F)(F)F)n2C[C@@H](CF)OCCc12 |r|
BDBM252790 Cc1cc(ccn1)-c1nc(-c2ccc(c(C)c2)C(F)(F)F)n2C[C@@H](CF)OCCc12 |r|
BDBM252791 Cc1cc(cc(n1)C(F)F)-c1nc(-c2ccc(OC(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252792 COc1cc(ccc1C(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252793 COc1ccc(cc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252794 Cc1cc(cc(CO)n1)-c1nc(-c2ccc(OCF)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252795 COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252796 COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252797 COc1cc(ccc1OC(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CO)c1 |r|
BDBM252799 Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)c(c2)C#N)n2C[C@@H](CF)OCCc12 |r|
BDBM252800 Cc1cc(cc(C)n1)-c1nc(-c2ccc(C(F)F)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252801 Cc1cc(cc(CF)n1)-c1nc(-c2ccc(OC(F)(F)F)c(C)c2)n2CCOCCc12
BDBM50159148 [H][C@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM50159150 [H][C@@]1(C[C@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM252604 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252605 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OCC(F)(F)F)c(F)c2)n2CCOCCc12
BDBM252606 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(OCC(F)(F)F)c2)n2CCOCCc12
BDBM252607 COc1cc(ccc1Br)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252608 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCCF)c1)-c1cc(C)nc(C)c1 |r|
BDBM252609 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCC2CC2)c1)-c1cc(C)nc(C)c1 |r|
BDBM252610 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252611 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252612 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(C)c1)-c1ccnc(C)c1 |r|
BDBM252613 CCc1ccc(cc1OC)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252614 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252615 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(CF)c1 |r|
BDBM252616 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
BDBM252617 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(C)c1)-c1cc(C)nc(C)c1 |r|
BDBM252618 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(C)c1)-c1ccnc(C)c1 |r|
BDBM252619 COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252620 COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
BDBM252621 COc1ccc(cc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252622 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252623 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC2CC2)c(C)c1)-c1cc(C)nc(C)c1 |r|
BDBM252624 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(Cl)c1)-c1ccnc(C)c1 |r|
BDBM252625 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC3CC3)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252626 COc1cc(ccc1C(C)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252627 COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252628 COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252629 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
BDBM252630 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252631 COc1cc(ccc1C(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252632 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252633 COc1cc(ccc1OC(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
BDBM252634 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252635 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252636 COc1ccc(cc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252637 CCOc1ccc(cc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252638 CC(C)Oc1ccc(cc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252640 CCOc1ccc(cc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252641 CC(C)Oc1ccc(cc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252642 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(CF)c1)-c1ccnc(C)c1 |r|
BDBM252643 Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)F)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252644 COc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
BDBM252645 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)cc2)n2CCOCCc12
BDBM252646 Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)cc2)n2CCOCCc12
BDBM252647 COc1cc(ccc1Cl)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252648 Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OC(F)(F)F)c2)n2CCOCCc12
BDBM252649 COc1cc(ccc1C)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252650 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(CO)c1 |r|
BDBM252651 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(OC(F)(F)F)c2)n2CCOCCc12
BDBM252652 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OCc3ccccc3)c(F)c2)n2CCOCCc12
BDBM252653 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)cc1)-c1ccnc(C)c1 |r|
BDBM252654 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)cc1)-c1cc(C)nc(C)c1 |r|
BDBM252655 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(C)c1)-c1cc(C)nc(C)c1 |r|
BDBM252656 COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252657 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(C)c1)-c1ccnc(C)c1 |r|
BDBM252658 COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252659 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(F)c1)-c1cc(C)nc(C)c1 |r|
BDBM252660 COc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(OC)c2)n2C[C@@H](C)OCCc12 |r|
BDBM252661 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(F)c1)-c1ccnc(C)c1 |r|
BDBM252662 COc1ccc(cc1F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252663 COc1ccc(cc1F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252664 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)cc1)-c1cc(C)nc(C)c1 |r|
BDBM252665 C[C@@H]1Cn2c(CCO1)c(nc2-c1cccc(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252666 C[C@@H]1Cn2c(CCO1)c(nc2-c1cccc(Cl)c1)-c1ccnc(C)c1 |r|
BDBM252667 C[C@@H]1Cn2c(CCO1)c(nc2-c1cccc(OC(F)(F)F)c1)-c1cc(C)nc(C)c1 |r|
BDBM252668 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(Cl)c1)-c1cc(C)nc(C)c1 |r|
BDBM252669 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(Cl)c1)-c1ccnc(C)c1 |r|
BDBM252670 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)c(C)c1)-c1cc(C)nc(C)c1 |r|
BDBM252671 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(OC(F)(F)F)c1)-c1cc(C)nc(C)c1 |r|
BDBM252672 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)cc2)n2C[C@@H](CF)OCCc12 |r|
BDBM252673 Cc1cc(ccn1)-c1nc(-c2ccc(OC(F)(F)F)cc2)n2C[C@@H](CF)OCCc12 |r|
BDBM252674 COc1cc(ccc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252675 COc1cc(ccc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1ccnc(C)c1 |r|
BDBM252676 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252677 Cc1cc(ccn1)-c1nc(-c2ccc(Cl)c(C)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252678 Cc1cc(ccn1)-c1nc(-c2ccc(Cl)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252679 Cc1cc(cc(C)n1)-c1nc(-c2ccc(Cl)c(Cl)c2)n2C[C@@H](CF)OCCc12 |r|
BDBM252680 CC[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(OC)c1)-c1cc(C)nc(C)c1 |r|
BDBM252681 CC[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(OC)c1)-c1ccnc(C)c1 |r|
BDBM252682 COc1cc(ccc1Cl)-c1nc(c2CCO[C@@H](Cn12)C(F)F)-c1cc(C)nc(C)c1 |r|
BDBM252683 COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252684 COc1cc(ccc1C)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(c1)C(F)F |r|
BDBM252685 CCOc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(C)c1 |r|
BDBM252686 CCOc1cc(ccc1C(F)(F)F)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM252687 COc1cc(ccc1Cl)-c1nc(c2CCOCCn12)-c1ccnc(CF)c1
BDBM252688 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)cc1)-c1ccnc(CF)c1 |r|
BDBM252689 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)(F)F)cc1)-c1cc(C)nc(CF)c1 |r|
BDBM252690 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(F)c1)-c1cc(C)nc(CF)c1 |r|
BDBM252691 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(C)c1)-c1cc(C)nc(CF)c1 |r|
BDBM252692 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(Cl)c(Cl)c1)-c1cc(C)nc(CF)c1 |r|
BDBM252693 COc1cc(ccc1C)-c1nc(c2CCO[C@H](C)Cn12)-c1cc(C)nc(CF)c1 |r|
BDBM252694 COc1cc(ccc1Cl)-c1nc(c2CCO[C@H](CF)Cn12)-c1cc(C)nc(CF)c1 |r|
BDBM252695 Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OCC(F)F)c2)n2CCOCCc12
BDBM252696 Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OCC(F)(F)F)c2)n2CCOCCc12
BDBM252697 Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OCC3CC3)c2)n2CCOCCc12
BDBM252698 CC(C)COc1cc(ccc1F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252699 CCCOc1cc(ccc1F)-c1nc(c2CCOCCn12)-c1cc(C)nc(C)c1
BDBM252700 Cc1cc(cc(C)n1)-c1nc(-c2ccc(F)c(OCC3CCC3)c2)n2CCOCCc12
BDBM252701 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCC2CCC2)c1)-c1cc(C)nc(C)c1 |r|
BDBM252702 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCC2(C)COC2)c1)-c1cc(C)nc(C)c1 |r|
BDBM252703 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(F)c(OCC2CCC2)c1)-c1ccnc(C)c1 |r|
BDBM252704 CCc1ccc(cc1OC)-c1nc(c2CCO[C@H](C)Cn12)-c1ccnc(C)c1 |r|
BDBM50159147 [H][C@@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM252709 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(F)c2)n2CCOCCc12
BDBM50169616 Cc1cc(CN2CC3CCC2CN3c2ccc3n(CC(C)(C)C)c(=O)n(C)c3n2)no1
BDBM50169617 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2c1ncccn1
BDBM50169618 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2
BDBM50169619 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)OC(C)(C)C
BDBM50169620 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCCC1
BDBM50169622 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCC2CCCCC12
BDBM50169623 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)c1ccccc1
BDBM50169650 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2C(=O)c1cccnc1
BDBM50169690 [H][C@@]12CC[C@@]([H])(CN1C(=O)c1ccon1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|
BDBM50169692 Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCN(CC1)C(=O)c1ccon1
BDBM50169693 [H][C@@]12CC[C@@]([H])(C=C1c1ccc3n(CC(C)(C)C)c(=O)n(C)c3n1)N(C2)C(=O)c1ccon1 |r,c:6|
BDBM252798 Cc1cc(cc(C)n1)-c1nc(-c2ccc(OC(F)(F)F)c(c2)C#N)n2C[C@@H](CF)OCCc12 |r|
BDBM50159146 [H][C@]1(C[C@@]1(C[C@H](N)C(O)=O)C(O)=O)C(O)=O |r|
BDBM252753 C[C@@H]1Cn2c(CCO1)c(nc2-c1ccc(OC(F)F)c(F)c1)-c1ccnc(C)c1 |r|
BDBM50209114 FC(F)(F)c1c(OCC(F)(F)c2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50209115 CC(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(F)cc1
BDBM50209116 Fc1ccc(cc1)C1CC(C1)Oc1ccn2c(CC3CC3)nnc2c1C(F)(F)F |(14.5,-23.72,;14.51,-22.18,;13.18,-21.4,;13.19,-19.86,;14.53,-19.1,;15.86,-19.87,;15.85,-21.41,;14.54,-17.57,;13.46,-16.47,;14.56,-15.39,;15.64,-16.49,;14.57,-13.85,;15.92,-13.09,;17.25,-13.87,;18.58,-13.1,;18.59,-11.56,;19.73,-10.54,;21.24,-10.87,;22.33,-9.78,;22.74,-8.3,;23.83,-9.39,;19.12,-9.13,;17.58,-9.28,;17.26,-10.79,;15.92,-11.55,;14.59,-10.77,;13.37,-10.07,;14.34,-9.18,;13.07,-11.34,)|
BDBM50209118 Fc1ccc(cc1)C1(COc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
BDBM50209138 Clc1cccc(Cl)c1-c1ccn2c(nnc2c1)C1CCCCCC1
BDBM50204252 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2N)C(O)=O |r|
BDBM50209113 Clc1c(OCCc2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50204253 [H][C@@]12C[C@@H](Cc3ccc(F)c(Cl)c3)[C@@](N)(C(O)=O)[C@]1([H])[C@H]2C(O)=O |r|
BDBM50204255 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(F)c(C)c1)[C@@H]2O)C(O)=O |r|
BDBM50204256 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1ncnn1C)C(O)=O |r|
BDBM50204257 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
BDBM50209117 FC(F)(F)c1c(OCC2CC2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
BDBM50209140 Clc1cccc(COc2ccn3c(CC4CC4)nnc3c2Cl)c1
BDBM50207397 CC(=O)c1ccc(OCc2cccc(Oc3cc(ccn3)-c3nn[nH]n3)c2)c(Cl)c1O
BDBM50207398 CC(=O)c1ccc(OCc2cccc(Oc3cc(ccn3)-c3nn[nH]n3)c2)c(c1O)C(F)(F)F
BDBM50209099 Clc1c(OCc2cccc(c2)-c2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50209101 Clc1c(OCc2cccc3ccncc23)ccn2c(CC3CC3)nnc12
BDBM50209102 CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(F)cc1
BDBM50207399 CCCc1c(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O
BDBM50207400 CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
BDBM50207402 CCCc1c(OCc2cccc(Oc3ncccc3-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
BDBM50207403 CCCc1c(OCc2ccc(Oc3ccc(cn3)-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O
BDBM50207404 CCCc1c(OCc2ccc(Oc3ccc(cn3)C(O)=O)cc2)ccc(C(C)=O)c1O
BDBM50209189 Fc1ccc(cc1)C1CC1COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F
BDBM50209103 FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r|
BDBM50209105 Clc1c(OCc2ccccn2)ccn2c(CC3CC3)nnc12
BDBM50209107 Clc1ccc(COc2ccn3c(CC4CC4)nnc3c2Cl)cc1
BDBM50209108 FC(F)(F)c1c(O[C@H]2CC[C@@H](CC2)c2ccccc2)ccn2c(CC3CC3)nnc12 |r,wU:10.13,wD:7.6,(11.67,-8.41,;12.88,-9.12,;12.63,-7.53,;11.37,-9.68,;14.21,-9.9,;14.21,-11.43,;12.87,-12.19,;12.86,-13.73,;11.51,-14.49,;11.5,-16.02,;12.82,-16.8,;14.16,-16.05,;14.18,-14.5,;12.8,-18.34,;11.46,-19.09,;11.44,-20.62,;12.77,-21.41,;14.11,-20.65,;14.12,-19.11,;15.54,-12.21,;16.87,-11.44,;16.88,-9.91,;18.02,-8.88,;19.53,-9.21,;20.62,-8.12,;21.02,-6.65,;22.11,-7.73,;17.41,-7.48,;15.88,-7.63,;15.55,-9.14,)|
BDBM50209109 Clc1ccccc1COc1ccn2c(CC3CC3)nnc2c1Cl
BDBM50209110 Clc1c(OCc2ccccc2-c2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50209111 Clc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12
BDBM50209112 Clc1c(OCc2cccnc2)ccn2c(CC3CC3)nnc12
BDBM50209200 Clc1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50209216 Clc1c(OCc2ccc(cc2)-c2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50209217 FC(F)(F)c1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50209219 CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(Cl)cc1
BDBM50209220 FC(F)(F)c1c(OC2CC(C2)c2ccccc2)ccn2c(CC3CC3)nnc12 |(13.37,-10.07,;14.59,-10.77,;14.34,-9.18,;13.07,-11.34,;15.92,-11.55,;15.92,-13.09,;14.57,-13.85,;14.56,-15.39,;13.46,-16.47,;14.54,-17.57,;15.64,-16.49,;14.53,-19.1,;13.19,-19.86,;13.18,-21.4,;14.51,-22.18,;15.85,-21.41,;15.86,-19.87,;17.25,-13.87,;18.58,-13.1,;18.59,-11.56,;19.73,-10.54,;21.24,-10.87,;22.33,-9.78,;22.74,-8.3,;23.83,-9.39,;19.12,-9.13,;17.58,-9.28,;17.26,-10.79,)|
BDBM50209221 FC(F)(F)c1c(OCC2(CCCCC2)c2ccccc2)ccn2c(CC3CC3)nnc12
BDBM160547 Clc1c(ncn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM160555 Cc1c(ncn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM160557 FC(F)(F)c1c(ncn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM160562 Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM160566 Cc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM160573 FC(F)(F)c1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM160574 Clc1c(ncn2c(CC3CC3)nnc12)N1CCC(Cc2ccccc2)CC1
BDBM160605 Cc1c(NCC2CC2c2ccc(F)cc2)cnn2c(CC3CC3)nnc12
BDBM160615 Cc1c(NC[C@@H]2C[C@@H]2c2ccc(F)cc2)cnn2c(CC3CC3)nnc12 |r|
BDBM160641 Cc1c(NC[C@H]2C[C@H]2c2ccc(F)cc2)cnn2c(CC3CC3)nnc12 |r|
BDBM160719 COc1c(ncn2c(CC(C)(C)C)nnc12)N1CCC(CC1)c1ccc(F)cc1
BDBM160720 OC1(CCN(CC1)c1ncn2c(CC3CC3)nnc2c1Cl)c1ccc(F)cc1
BDBM160721 Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ncccn1
BDBM160723 CC(C)(C)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ncccn1
BDBM160724 Fc1ccc(cc1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160725 CC(C)(C)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccc(F)cc1
BDBM160727 Fc1ccc(cc1)N1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160729 Clc1c(cnn2c(CC3CC3)nnc12)N1CCC2(CC1)C=Cc1ccccc21 |c:24|
BDBM160738 Clc1c(NCC2(COc3ccccc3)CC2)cnn2c(CC3CC3)nnc12
BDBM160739 COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM50204258 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2N=[N+]=[N-])C(O)=O |r|
BDBM50204259 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2NC(C)=O)C(O)=O |r|
BDBM50204260 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)cc1)[C@@H]2O)C(O)=O |r|
BDBM50204261 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
BDBM160740 Fc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160741 Fc1cccc(c1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160742 Fc1ccccc1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM160743 COc1cccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM160744 COc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160745 OOc1cccc(c1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160746 Cc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160747 COc1ccc(cc1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM50204262 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccccc1)[C@@H]2O)C(O)=O |r|
BDBM50204263 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1cc(Cl)ccc1Cl)[C@@H]2O)C(O)=O |r|
BDBM50204264 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(F)c1)[C@@H]2O)C(O)=O |r|
BDBM50204266 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2F)C(O)=O |r|
BDBM50204267 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2NC(=O)OC)C(O)=O |r|
BDBM50204268 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1ncc[nH]1)C(O)=O |r|
BDBM50204269 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@@H]2O)C(O)=O |r|
BDBM50204270 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1cccc(Cl)c1Cl)[C@@H]2O)C(O)=O |r|
BDBM160748 COC(=O)c1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160749 OC(=O)c1ccccc1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM160751 Clc1c(NCC2Cc3ccccc3C2)cnn2c(CC3CC3)nnc12
BDBM160752 COc1cccc(F)c1C1CCN(CC1)c1cc2nnc(CC3CC3)n2cn1
BDBM160753 COc1ccc(OC)c(c1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160754 COc1ccc(OC)c(c1)C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM160755 COc1ccc(C2CCN(CC2)c2cnn3c(CC4CC4)nnc3c2Cl)c(OC)c1
BDBM50204271 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1cccc(Cl)c1)[C@@H]2O)C(O)=O |r|
BDBM50194665 COC1(CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1)c1ccccc1
BDBM50194666 FC(F)(F)c1c(CN2CCCC(C2)c2ccccc2)ccn2c(CC3CC3)nnc12
BDBM160756 COc1ccc(C2CCN(CC2)c2cnn3c(CC(F)(F)F)nnc3c2Cl)c(OC)c1
BDBM160758 COc1cccc(F)c1C1CC1CNc1cnn2c(CC3CC3)nnc2c1Cl
BDBM160759 COc1cccc(F)c1C1CC1CNc1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM160760 Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccncc1
BDBM160761 COc1cc(OC)nc(n1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160762 COc1cc(OC)nc(n1)C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM160763 Clc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160764 FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1Cl
BDBM160765 Clc1cccc(C2CCN(CC2)c2cnn3c(CC4CC4)nnc3c2Cl)c1Cl
BDBM160767 Clc1cc(Cl)cc(c1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160768 FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1cc(Cl)cc(Cl)c1
BDBM160771 CCN(CC1CC1c1ccc(F)cc1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160772 FC(F)Oc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160773 FC(F)Oc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM50194710 Fc1cccc(F)c1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
BDBM50194711 Fc1ccccc1C1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
BDBM50194712 Fc1ccc(OC2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
BDBM160774 FC(F)Oc1cc(F)c(F)cc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160775 FC(F)Oc1cc(F)c(F)cc1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM160776 FC(F)Oc1c(F)cc(F)cc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160777 FC(F)Oc1c(F)cc(F)cc1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1Cl
BDBM160778 FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1
BDBM160779 Clc1c(cnn2c(Cc3ccccc3)nnc12)N1CCC(CC1)c1ccccc1
BDBM160780 CC(C)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1
BDBM50194713 Fc1ccc([C@@H]2CC[C@@H](CC2)NCc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1 |r,wD:8.11,5.4,(18.94,-13.23,;20.28,-12.47,;20.29,-10.92,;21.63,-10.16,;22.95,-10.95,;24.29,-10.18,;24.3,-8.64,;25.63,-7.87,;26.97,-8.65,;26.97,-10.19,;25.62,-10.96,;28.3,-7.88,;28.3,-6.35,;29.63,-5.58,;30.96,-6.35,;32.3,-5.58,;32.29,-4.03,;33.43,-2.99,;34.94,-3.31,;35.96,-2.16,;37.42,-1.67,;36.27,-.65,;32.8,-1.59,;31.27,-1.76,;30.96,-3.27,;29.63,-4.04,;28.3,-3.27,;28.3,-1.73,;26.96,-4.04,;26.96,-2.5,;22.95,-12.48,;24.29,-13.24,;21.62,-13.24,)|
BDBM50194714 Fc1cccc(F)c1C1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
BDBM160782 Clc1c(cnn2c(CCC3CC3)nnc12)N1CCC(CC1)c1ccccc1
BDBM160785 FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1cccc(Cl)c1Cl
BDBM160787 Clc1c(NC2CCC(CC2)c2ccccc2)cnn2c(CC3CC3)nnc12 |(5.75,4.91,;5.75,3.37,;4.41,2.6,;3.08,3.37,;3.08,4.91,;4.41,5.68,;4.41,7.22,;3.08,7.99,;1.75,7.22,;1.75,5.68,;3.08,9.53,;4.41,10.3,;4.41,11.84,;3.08,12.61,;1.75,11.84,;1.75,10.3,;4.41,1.06,;5.75,.29,;7.08,1.06,;8.54,.59,;9.02,-.88,;8.11,-2.12,;6.57,-2.13,;7.95,-3.65,;9.44,1.83,;8.54,3.07,;7.08,2.6,)|
BDBM160789 Clc1c(cnn2c(CC3CC3)nnc12)N1CCC2(CC1)C1C=CC=CC1OC2=O |c:25,27|
BDBM160791 FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC2(CC1)C1C=CC=CC1OC2=O |c:25,27|
BDBM160793 FC(F)(F)Cc1nnc2c(Cl)c(NC3CCC(CC3)c3ccccc3)cnn12 |(6.58,-1.96,;8.11,-2.12,;8.74,-3.53,;9.64,-2.28,;9.02,-.88,;8.54,.59,;9.44,1.83,;8.54,3.07,;7.08,2.6,;5.75,3.37,;5.75,4.91,;4.41,2.6,;3.08,3.37,;1.75,2.6,;.41,3.37,;-.92,2.6,;-.92,1.06,;.41,.29,;1.75,1.06,;-2.25,.29,;-3.59,1.06,;-4.92,.29,;-4.92,-1.25,;-3.59,-2.02,;-2.25,-1.25,;4.41,1.06,;5.75,.29,;7.08,1.06,)|
BDBM160795 FC(F)(F)c1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160797 FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1C(F)(F)F
BDBM160800 Fc1ccccc1C1CCN(CC1)c1ncn2c(CC(F)(F)F)nnc2c1Cl
BDBM160805 Fc1ccccc1C1CCN(CC1)c1ncn2c(CC3CC3)nnc2c1Cl
BDBM160806 Fc1ccc(cc1)C1CCN(CC1)c1ncn2c(CC(F)(F)F)nnc2c1Cl
BDBM160810 Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1C#N
BDBM50207405 CCCc1c(OCc2cccc(Oc3ccc(cn3)-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
BDBM50207406 CCCc1c(OCc2cccc(Oc3cc(ccn3)C(O)=O)c2)ccc(C(C)=O)c1O
BDBM50207407 CC(=O)c1ccc(OCc2cccc(Oc3ccc(cn3)-c3nn[nH]n3)c2)c(Cl)c1O
BDBM50207408 CC(=O)c1ccc(OCc2cccc(Oc3ccc(cn3)-c3nn[nH]n3)c2)c(F)c1O
BDBM50207409 CC(=O)c1ccc(OCc2ccc(Oc3cccc(c3)-c3nn[nH]n3)cc2)c(C)c1O
BDBM50207410 CCCc1c(OCc2cccc(Oc3cc(ccn3)-c3nn[nH]n3)c2)ccc(C(C)=O)c1O
BDBM50209104 Clc1c(OC2CCc3ccccc3C2)ccn2c(CC3CC3)nnc12
BDBM50209106 Clc1c(OCc2cccc(c2)-c2cncnc2)ccn2c(CC3CC3)nnc12
BDBM50209139 FC(F)(F)c1c(OCC2(CC2)c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
BDBM50209142 FC(F)(F)c1c(OC[C@@H]2C[C@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r|
BDBM160811 FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccc1C#N
BDBM160812 Fc1ccc(C2CCN(CC2)c2cnn3c(CC4CC4)nnc3c2Cl)c(F)c1
BDBM160814 Fc1ccc(C2CCN(CC2)c2cnn3c(CC(F)(F)F)nnc3c2Cl)c(F)c1
BDBM160815 FC(F)(F)c1cccc(n1)C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1Cl
BDBM160817 FC(F)(F)c1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1C#N
BDBM160818 FC(F)(F)Cc1nnc2c(c(cnn12)N1CCC(CC1)c1ccccc1C#N)C(F)(F)F
BDBM160820 Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccn1
BDBM50207411 CC(=O)c1ccc(OCc2cccc(Oc3ccc(cn3)-c3nn[nH]n3)c2)c(c1O)C(F)(F)F
BDBM50207412 CCCc1c(OCc2ccc(Oc3cccc(c3)-c3nn[nH]n3)nc2)ccc(C(C)=O)c1O
BDBM50207413 CCCc1c(OCc2ccc(Oc3ncccc3-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O
BDBM160821 COc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
BDBM160822 COc1c(F)ccc(F)c1C1CCN(CC1)c1cnn2c(CC(F)(F)F)nnc2c1C(F)(F)F
BDBM160823 Clc1c(cnn2c(CC3CC3)nnc12)N1CCC(CC1)c1cccnc1
BDBM160825 FC(F)(F)Cc1nnc2c(Cl)c(cnn12)N1CCC(CC1)c1ccccn1
BDBM160826 Fc1ccccc1C1CCN(CC1)c1cnn2c(CC3CC3)nnc2c1C(F)(F)F
BDBM160828 COc1ccccc1C1CC1CNc1cnn2c(CC(F)(F)F)nnc2c1C(F)(F)F
BDBM50194613 FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50194614 CC1(CCCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)C1)c1ccccc1
BDBM50194615 Fc1ccc([C@H]2CC[C@@H](CC2)NCc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1 |r,wU:5.4,wD:8.11,(20.7,-24.55,;22.03,-23.78,;22.04,-22.24,;23.38,-21.48,;24.7,-22.26,;26.04,-21.5,;26.05,-19.96,;27.38,-19.19,;28.72,-19.97,;28.72,-21.51,;27.37,-22.28,;30.06,-19.2,;30.05,-17.66,;31.38,-16.9,;32.72,-17.67,;34.05,-16.9,;34.05,-15.35,;35.18,-14.31,;36.69,-14.63,;37.72,-13.48,;39.17,-12.99,;38.02,-11.97,;34.55,-12.91,;33.02,-13.08,;32.71,-14.58,;31.38,-15.35,;30.05,-14.58,;30.05,-13.04,;28.72,-15.36,;28.71,-13.81,;24.7,-23.79,;26.04,-24.56,;23.37,-24.56,)|
BDBM50194616 FC(F)(F)c1c(CN2CCC(CC2)(c2ccccc2)C(F)(F)F)ccn2c(CC3CC3)nnc12
BDBM50194617 Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
BDBM50194618 Cc1cc(cc2CN(Cc3ccc(OC(F)(F)F)cc3)C(=O)c12)-c1nc(CN2CCNCC2)no1
BDBM50194662 FC(F)(F)c1c(CN2CCN(CC2)c2ccc(Cl)cc2Cl)ccn2c(CC3CC3)nnc12
BDBM50194664 FC(F)(F)c1c(CN2CCC(F)(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
BDBM50194667 FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2Cl)ccn2c(CC3CC3)nnc12
BDBM50194707 Fc1ccc(C2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
BDBM50194708 Fc1ccc(COC2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
BDBM50194709 Fc1ccc(N2CCCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
BDBM50212347 N[C@@H](C(O)=O)c1cc(O)cc(O)c1 |r|
BDBM290442 Cc1c(C)c(ccc1OCCCCOc1cccc(c1)C(O)=O)C(=O)CC1CCCC1
BDBM277135 NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc2n1)C(c1cccnc1)C(F)(F)F
BDBM277080 NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@H]3CCO[C@H](C3)C3CC3)Cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@@H]3CCO[C@@H](C3)C3CC3)Cc2n1 |r|
BDBM277095 CC(C)(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccncc1)C(N)=O
BDBM290533 Cc1c(C)c(ccc1OCc1cccc(COc2ccc(\C=C\C(O)=O)c(O)c2)c1)C(=O)CC1CCCC1
BDBM277128 Cn1nncc1CN1CCc2c(C1)nc(cc2-c1c(F)cc(F)cc1F)C(N)=O |(-2.82,.77,;-4.15,1.54,;-5.61,1.06,;-6.52,2.31,;-5.61,3.56,;-4.15,3.08,;-2.82,3.85,;-1.48,3.08,;-1.48,1.54,;-.15,.77,;1.18,1.54,;1.18,3.08,;-.15,3.85,;2.52,3.85,;3.85,3.08,;3.85,1.54,;2.52,.77,;2.52,-.77,;1.18,-1.54,;-.15,-.77,;1.18,-3.08,;2.52,-3.85,;2.52,-5.39,;3.85,-3.08,;3.85,-1.54,;5.19,-.77,;5.19,3.85,;6.52,3.08,;5.19,5.39,)|
BDBM277129 NC(=O)c1cc(-c2ccc(Cl)cn2)c2CCN(Cc3ccnn3C(F)F)Cc2n1
BDBM277130 NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1ccc(F)cc1F
BDBM277131 NC(=O)c1cc(-c2cc(ns2)C2CC2)c2CCN(Cc3ccnc(c3)C3CC3)Cc2n1
BDBM277132 NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1cc(cn1)C#N
BDBM277133 Cc1conc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
BDBM277134 NC(=O)c1cc(-c2cc(ns2)C2CC2)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
BDBM277139 CC1(C)CCC(CC1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
BDBM277140 NC(=O)c1cc(C2=CCC3(CC3)CC2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1 |t:6|
BDBM277143 Cc1cn(cn1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
BDBM277144 C[C@@H]1CN(CCO1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O |r|
BDBM277145 COc1cc(CN2CCc3c(C2)nc(cc3N2CCC(F)(F)CC2)C(N)=O)ccn1
BDBM277146 NC(=O)c1cc(N2CCCC3(CC3)C2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
BDBM277151 Cc1cn(nc1C)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
BDBM277152 COc1cnn(c1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
BDBM277153 CN1CCN(CC1C(F)(F)F)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
BDBM277154 NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1cc(cn1)C(F)(F)F
BDBM277155 NC(=O)c1cc(-c2ccc(Cl)cn2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
BDBM277156 Cc1csc(n1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
BDBM277157 Cc1ncc(s1)-c1cc(nc2CN(Cc3ccnc(OC(F)F)c3)CCc12)C(N)=O
BDBM277158 Cc1ncc(s1)-c1cc(nc2CN(Cc3ccnn3C)CCc12)C(N)=O
BDBM277163 CC(N1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O)c1ccnn1C
BDBM277170 NC(=O)c1cc(c2CCN(Cc3ncon3)Cc2n1)-c1ccc(Cl)cc1F
BDBM277171 Cc1nc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)no1
BDBM277172 COc1nccc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
BDBM277173 Cn1ncnc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
BDBM277174 Cc1noc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
BDBM277175 CC(C)c1noc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
BDBM277176 COc1ccnc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
BDBM277177 CC1(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)COC1
BDBM277178 COc1ncc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)cn1
BDBM277096 NC(=O)c1cc(c2CCN(CC3CCOC(C3)C3CCC3)Cc2n1)-c1ccc(F)cc1F
BDBM277099 Cn1cncc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
BDBM277100 CC(C)(C)n1nncc1CN1CCc2c(C1)nc(cc2-c1c(F)cc(Cl)cc1F)C(N)=O |(-1.57,.85,;-3.06,.45,;-3.46,-1.04,;-1.97,-.64,;-4.15,1.54,;-5.61,1.06,;-6.52,2.31,;-5.61,3.56,;-4.15,3.08,;-2.82,3.85,;-1.48,3.08,;-1.48,1.54,;-.15,.77,;1.18,1.54,;1.18,3.08,;-.15,3.85,;2.52,3.85,;3.85,3.08,;3.85,1.54,;2.52,.77,;2.52,-.77,;3.85,-1.54,;5.19,-.77,;3.85,-3.08,;2.52,-3.85,;2.52,-5.39,;1.18,-3.08,;1.18,-1.54,;-.15,-.77,;5.19,3.85,;6.52,3.08,;5.19,5.39,)|
BDBM277101 CC1N(CC2CCOC(C)(C)C2)CCc2c1nc(cc2-c1ccc(F)cc1F)C(N)=O
BDBM277102 CC(C)n1nccc1CN1CCc2c(cc(nc2C1C)C(N)=O)N1CCCCC1
BDBM277103 CC1(C)CCC(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CO1
BDBM277104 CC1(C)CCC(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)CO1
BDBM277105 COC1CCN(CC1)c1cc(nc2C(C)N(Cc3ccnn3C(C)C)CCc12)C(N)=O
BDBM277108 NC(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)c1
BDBM277109 NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc3ccccc3C(N)=O)Cc2n1
BDBM277110 NC(=O)c1ccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)cc1
BDBM277111 NC(=O)c1cc(-c2ccc(F)c(F)c2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
BDBM277112 NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
BDBM277113 CS(=O)(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)c1
BDBM277114 Cc1nonc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
BDBM277115 NC(=O)c1cc(-c2cccc(c2)C(F)(F)F)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
BDBM277116 NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(c3)C3CC3)Cc2n1
BDBM277117 COc1cc(F)ccc1-c1cc(nc2CN(Cc3ccnc(c3)C3CC3)CCc12)C(N)=O
BDBM277118 NC(=O)c1cc(c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1)-c1ccc(F)cc1Cl
BDBM277119 NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
BDBM277120 CS(=O)(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccccc2F)C(N)=O)c1
BDBM277121 Cc1cc(ccn1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
BDBM277122 NC(=O)c1cc(-c2cnc(s2)C(F)F)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
BDBM277123 Cc1cc(sn1)-c1cc(nc2CN(Cc3ccnc(OC(F)F)c3)CCc12)C(N)=O
BDBM277124 NC(=O)c1cc(c2CCN(CC(=O)N3CCOCC3)Cc2n1)-c1ccc(F)cc1F
BDBM277125 Cn1nnnc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
BDBM277126 NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1ccc(n1)C(F)(F)F
BDBM277127 NC(=O)c1cc(c2CCN(Cc3ccnn3C(F)F)Cc2n1)-c1c(F)cc(Cl)cc1F |(6.52,3.08,;5.19,3.85,;5.19,5.39,;3.85,3.08,;3.85,1.54,;2.52,.77,;1.18,1.54,;-.15,.77,;-1.48,1.54,;-1.48,3.08,;-2.82,3.85,;-4.15,3.08,;-5.61,3.56,;-6.52,2.31,;-5.61,1.06,;-4.15,1.54,;-3.06,.45,;-3.46,-1.04,;-1.57,.85,;-.15,3.85,;1.18,3.08,;2.52,3.85,;2.52,-.77,;1.18,-1.54,;-.15,-.77,;1.18,-3.08,;2.52,-3.85,;2.52,-5.39,;3.85,-3.08,;3.85,-1.54,;5.19,-.77,)|
BDBM290546 Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
BDBM290547 CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
BDBM290548 Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CC1CCCC1
BDBM290549 CCCC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
BDBM290550 CC(C)C(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
BDBM290551 Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(cc1)C(O)=O)C(=O)CC(C)(C)C
BDBM290552 Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(Cl)c(c1)C(O)=O)C(=O)CC(C)(C)C
BDBM290454 Cc1c(C)c(ccc1OCCCCOc1ccc(F)c(c1)C(O)=O)C(=O)CC1CCCC1
BDBM290459 CC(C)CC(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
BDBM290460 Cc1c(O)c(ccc1OCCCCOc1cccc(C(O)=O)c1C)C(=O)CC1CCCC1
BDBM290504 COC(=O)CCc1cc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)ccc1O
BDBM290505 COC(=O)CCc1cc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(O)c2C)ccc1O
BDBM290506 COc1ccc(C)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1B1OC(C)(C)C(C)(C)O1
BDBM290507 COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NO
BDBM290508 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NO
BDBM290509 CONC(=O)c1ccc(OC)c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
BDBM290553 COc1ccc(cc1-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1)C(O)=O
BDBM290554 Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(=O)CC(C)(C)C
BDBM290555 Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(F)cc(c1)C(O)=O)C(=O)CC(C)(C)C
BDBM290556 CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
BDBM290557 Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccccc1C(O)=O)C(=O)CC(C)(C)C
BDBM290558 Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(ccc1F)C(O)=O)C(=O)CC(C)(C)C
BDBM290559 COc1ccc(cc1C(O)=O)-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
BDBM290510 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C#N
BDBM290511 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)-n1cnnn1
BDBM290512 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NS(C)(=O)=O
BDBM290513 Cc1c(O)c(ccc1OCCCCOc1ccc(COBO)c(O)c1)C(=O)CC(C)(C)C
BDBM290560 Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(C(O)=O)c(Cl)c1)C(=O)CC(C)(C)C
BDBM290561 Cc1c(O)c(ccc1OCc1ccc(cc1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
BDBM290562 Cc1cc(ccc1C(O)=O)-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
BDBM290563 Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(O)c(c1)C(O)=O)C(=O)CC(C)(C)C
BDBM290564 Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(CC(O)=O)c1)C(=O)CC(C)(C)C
BDBM290565 Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)CC(C)(C)C
BDBM290566 Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(cc1Cl)C(O)=O)C(=O)CC(C)(C)C
BDBM290514 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)B(O)O
BDBM290516 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(\N)=N/O
BDBM290517 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)-c1noc(=O)[nH]1
BDBM290518 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)-c1noc(=S)[nH]1
BDBM290519 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)-c1nsc(=O)[nH]1
BDBM290520 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)N1CCOCC1
BDBM290567 Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CCC(C)(C)C
BDBM290568 Cc1c(OCc2ccnc(c2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290569 Cc1c(OCc2cncc(c2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290570 Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C#N)C(=O)CC(C)(C)C
BDBM290571 Cc1c(OCc2cccc(c2)-c2cccc(c2)-n2cnnn2)ccc(C(=O)CC(C)(C)C)c1O
BDBM290572 Cc1c(OCc2cc(ccn2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290573 Cc1c(C)c(ccc1OCc1cccc(COc2ccc(cc2)C#N)c1)C(=O)CC1CCCC1
BDBM290497 Cc1c(C)c(ccc1OCCCCOc1ccc(cc1)-n1cnnn1)C(=O)CC1CCCC1
BDBM290521 CNC(=O)c1ccc(OC)c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
BDBM290522 CCN(CC)C(=O)c1ccc(OC)c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
BDBM290523 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)c1ccccc1
BDBM290524 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)N1CCNCC1
BDBM290525 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)c1ccccn1
BDBM290526 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)N1CCN(CC1)S(C)(=O)=O
BDBM290527 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NC(C)(C)C
BDBM290574 COC(=O)c1ccc(OCc2cccc(COc3ccc(C(=O)CC4CCCC4)c(C)c3C)c2)cc1
BDBM290575 Cc1c(O)c(ccc1OCc1cc(ccn1)-c1cccc(c1)C(=O)NS(C)(=O)=O)C(=O)CC(C)(C)C
BDBM290576 Cc1c(OCc2cc(ccn2)-c2cccc(c2)-c2noc(=O)[nH]2)ccc(C(=O)CC(C)(C)C)c1O
BDBM290577 Cc1c(OCc2ccc(o2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290578 Cc1c(OCc2cccc(n2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290579 COc1ccc(cc1-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)n1)C(O)=O
BDBM290580 Cc1c(OCc2ncc(s2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290528 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NC1CC1
BDBM290529 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NCC(C)C
BDBM290530 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(CCC(O)=O)c(O)c2)c(C)c1C
BDBM290531 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NC1CCCC1
BDBM290532 COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NS(=O)(=O)c1ccccc1
BDBM290534 CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C#N)c2)c(C)c1C
BDBM290581 Cc1c(OCc2ccc(s2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290582 Cc1c(OCc2cnc(cn2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290583 Cc1c(OCc2cccc(n2)-c2cccc(c2)S(O)(=O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290584 Cc1c(OCc2nnc(s2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290586 CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)c(c2)C(O)=O)c(C)c1C
BDBM290587 Cc1c(C)c(ccc1OCc1cccc(c1)-c1ccc(Cl)c(c1)C(O)=O)C(=O)CC1CCCC1
BDBM290498 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-n2cnnn2)c(C)c1C
BDBM290535 COC(=O)c1ccc(OCc2cccc(COc3ccc(C(=O)CC(C)C)c(C)c3C)c2)cc1
BDBM290536 CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(\C=C\C(O)=O)c(O)c3)c2)c(C)c1C
BDBM290537 CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C#N)c2)c(C)c1O
BDBM290538 COC(=O)c1ccc(OCc2cccc(COc3ccc(C(=O)CC(C)C)c(O)c3C)c2)cc1
BDBM290539 CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(\C=C\C(O)=O)c(O)c3)c2)c(C)c1O
BDBM290589 Cc1c(C)c(ccc1OCc1cccc(OCc2ccccn2)c1)C(=O)CC1CCCC1
BDBM290590 CC(C)CC(=O)c1ccc(OCc2cccc(OCc3ccccn3)c2)c(C)c1C
BDBM290591 CC(C)CC(=O)c1ccc(OCc2cccc(OCc3ccccn3)c2)c(C)c1O
BDBM290592 Cc1c(OCc2cccc(OCc3ccccn3)c2)ccc(C(=O)CC2CCCC2)c1O
BDBM290593 Cc1c(OCc2cccc(c2)-c2occc2C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290594 Cc1c(OCc2cccc(c2)-c2cncc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290595 Cc1c(OCc2cccc(c2)-c2cnccc2C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290596 Cc1c(OCc2cccc(c2)-c2cnc(cn2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
BDBM290598 CC(C)CC(=O)c1ccc(OCCCCOc2ccccn2)c(C)c1C
BDBM290601 Cc1c(OCCCCOc2ccccn2)ccc(C(=O)CC2CCCC2)c1O
BDBM290602 Cc1c(O)c(ccc1OCCCCOCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
BDBM290603 Cc1c(C)c(ccc1OCCCCSc1ccncc1)C(=O)CC1CCCC1
BDBM290541 Cc1c(O)c(ccc1OCc1cccc(COc2ccc(\C=C\C(O)=O)c(O)c2)c1)C(=O)CC1CCCC1
BDBM290604 CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(C)c1C
BDBM290605 CCCc1c(O)c(ccc1OCCCCOc1ccc(OC=O)cc1OC)C(C)=O
BDBM290606 CCCc1c(O)c(ccc1OCCCCOc1ccc(OC=O)cc1C)C(C)=O
BDBM290607 CC(C)(C)CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(OC=O)c2)c(I)c1O
BDBM290608 CC(C)(C)CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(OC=O)c2)c(Br)c1O
BDBM290609 Cc1c(C)c(ccc1OCCCCOc1ccccn1)C(=O)CC1CCCC1
BDBM290610 Cc1c(C)c(ccc1OCc1cccc(SCc2ccncc2)c1)C(=O)CC1CCCC1
BDBM290499 Cc1c(C)c(ccc1OCCCCOc1ccc(\C=C\C(O)=O)c(O)c1)C(=O)CC1CCCC1
BDBM290500 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(\C=C\C(O)=O)c(O)c2)c(C)c1C
BDBM277179 NC(=O)c1cc(c2CCN(Cc3cccnc3)Cc2n1)-c1ccc(Cl)cc1F
BDBM277180 Cn1cc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)cn1
BDBM277181 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cccc1F |(8,2.31,;6.67,3.08,;6.67,4.62,;5.33,2.31,;5.33,.77,;4,,;2.67,.77,;1.33,,;,.77,;,2.31,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-4,,;-5.33,.77,;-5.33,2.31,;-4,3.08,;-6.67,3.08,;-6.67,4.62,;-8,2.31,;-5.33,3.85,;1.33,3.08,;2.67,2.31,;4,3.08,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;5.33,-3.85,;4,-4.62,;2.67,-3.85,;2.67,-2.31,;1.33,-1.54,)|
BDBM277182 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1cc(F)ccc1F
BDBM277183 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccc(Cl)cc1F
BDBM277184 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccccc1Cl
BDBM277185 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccc(F)cc1Cl
BDBM277186 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cc(F)cc1F |(-8,-3.08,;-6.67,-3.85,;-6.67,-5.39,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;4,-3.85,;6.67,-3.85,;8,-3.08,;6.67,-5.39,;8,-4.62,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-4,.77,;-5.33,1.54,;-6.67,.77,;-5.33,3.08,;-4,3.85,;-4,5.39,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,)|
BDBM277187 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cccc1Cl |(-8,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-5.33,-2.31,;-5.33,-.77,;-4,,;-2.67,-.77,;-1.33,,;,-.77,;,-2.31,;1.33,-3.08,;2.67,-2.31,;2.67,-.77,;4,,;5.33,-.77,;5.33,-2.31,;4,-3.08,;6.67,-3.08,;8,-2.31,;6.67,-4.62,;8,-3.85,;-1.33,-3.08,;-2.67,-2.31,;-4,-3.08,;-4,1.54,;-5.33,2.31,;-6.67,1.54,;-5.33,3.85,;-4,4.62,;-2.67,3.85,;-2.67,2.31,;-1.33,1.54,)|
BDBM277188 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccccc1F
BDBM277189 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cc(Cl)cc1F |(-8,-3.08,;-6.67,-3.85,;-6.67,-5.39,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;4,-3.85,;6.67,-3.85,;8,-3.08,;6.67,-5.39,;8,-4.62,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-4,.77,;-5.33,1.54,;-6.67,.77,;-5.33,3.08,;-4,3.85,;-4,5.39,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,)|
BDBM277190 NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
BDBM277191 NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1c(F)cc(F)cc1F |(8,3.08,;6.67,3.85,;6.67,5.39,;5.33,3.08,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-6.67,3.85,;-8,3.08,;-8,4.62,;-6.67,5.39,;1.33,3.85,;2.67,3.08,;4,3.85,;4,-.77,;2.67,-1.54,;1.33,-.77,;2.67,-3.08,;4,-3.85,;4,-5.39,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,)|
BDBM277192 NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1ccc(Cl)cc1F
BDBM277193 NC(=O)c1cc(N2CCC(F)(F)CC2)c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1
BDBM277194 NC(=O)c1cc(N2CCC3(CC3)CC2)c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1
BDBM277195 NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-n1cc(Cl)cn1
BDBM277196 NC(=O)c1cc(N2CCC(F)(F)CC2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
BDBM277197 NC(=O)c1cc(N2CCC3(CC3)CC2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
BDBM290501 Cc1c(O)c(ccc1OCCCCOc1ccc(cc1)C#N)C(=O)CC1CCCC1
BDBM290502 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C#N)c(C)c1O
BDBM290503 Cc1c(O)c(ccc1OCCCCOc1ccc(\C=C\C(O)=O)c(O)c1)C(=O)CC1CCCC1
BDBM277198 COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)ccn1
BDBM277199 COc1ccc(c(F)c1)-c1cc(nc2CN(Cc3ccnc(OC)c3)CCc12)C(N)=O
BDBM277200 COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)ccn1
BDBM277201 COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2Cl)C(N)=O)ccn1
BDBM290464 COc1cc(ccc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
BDBM290486 CCCC(=O)c1ccc(OCCCCOc2ccc(cc2OC)C(O)=O)c(C)c1O
BDBM290495 Cc1c(C)c(ccc1OCCCCOc1ccc(cc1)C#N)C(=O)CC1CCCC1
BDBM290453 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1C
BDBM290496 CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C#N)c(C)c1C
BDBM290544 CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C(O)=O)c2)c(C)c1O
BDBM290542 CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C(O)=O)c2)c(C)c1C
BDBM290543 Cc1c(C)c(ccc1OCc1cccc(COc2ccc(cc2)C(O)=O)c1)C(=O)CC1CCCC1
BDBM290545 Cc1c(O)c(ccc1OCc1cccc(COc2ccc(cc2)C(O)=O)c1)C(=O)CC1CCCC1