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2773 SMILES Strings for Metabotropic glutamate receptor 5

Compound NameSMILES String
BDBM128278 Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cc(Cl)ccn1
BDBM292153 Fc1ccc(cc1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM128280 Fc1ccnc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1
BDBM128281 Cc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
BDBM128282 Fc1ccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)nc1
BDBM128285 CN(c1cncnc1)c1cc(F)cc(c1)C(=O)Nc1nc(C)cs1
BDBM128287 CN(c1cncnc1)c1cc(ccc1F)C(=O)Nc1cccc(Cl)n1
BDBM128288 Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cc(ccn1)C(F)(F)F
BDBM128283 Clc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1cccc(Cl)n1
BDBM128284 COc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
BDBM128279 Fc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1
BDBM128286 CN(c1cncnc1)c1cc(Cl)cc(c1)C(=O)Nc1cccc(F)n1
BDBM128289 Fc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1nc(cs1)C(F)(F)F
BDBM128290 Cc1ccnc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
BDBM128291 Cc1nc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1Br
BDBM168300 F[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,1.0,wD:18.21,3.5,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
BDBM17660 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM17657 N[C@@H](CCC(O)=O)C(O)=O
BDBM26431 N[C@H](CCC(O)=O)C(O)=O
BDBM36181 [O-]C(=O)c1ccccc1
BDBM38857 Clc1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM38984 Fc1ccccc1C(=O)Nc1nc2ccccc2[nH]1
BDBM39107 Fc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
BDBM39076 Clc1ccc(cc1Cl)-c1nc(no1)-c1ccccn1
BDBM44464 CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
BDBM48215 COc1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM48290 O=C(Nc1nc2ccccc2[nH]1)c1ccccc1
BDBM48291 COc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
BDBM49388 O=C1CCOc2cc(OCc3ccccc3)ccc12
BDBM53441 Clc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
BDBM66976 N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM82251 N[C@@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
BDBM82355 NC(C(O)=O)c1cc(=O)[nH]o1
BDBM86211 NC(Cn1oc(=O)[nH]c1=O)C(O)=O
BDBM86213 CCOC(=O)C12CC1C(N=O)c1ccccc1O2
BDBM85017 N[C@]1(CC[C@H](CC(O)=O)C1)C(O)=O
BDBM85706 Cc1cc(ccc1C(O)=O)C(N)C(O)=O
BDBM85707 Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
BDBM85077 NC(CP(O)(O)=O)C(O)=O
BDBM86715 Cc1cccc(C=Cc2ccccc2)n1 |w:6.5|
BDBM86716 Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM86717 Cc1ccc(O)c(N=Nc2ccccc2)n1 |w:7.6|
BDBM90654 [O-][N+](=O)c1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM95957 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
BDBM107263 Fc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1
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
BDBM107273 Fc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107271 Fc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
BDBM107262 Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107224 Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
BDBM107274 Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1F
BDBM107216 Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
BDBM107258 CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1
BDBM107266 Clc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107244 Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
BDBM107242 Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
BDBM107261 O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1
BDBM107249 CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1
BDBM107268 O=C(NC1CCCCCC1)c1cc(Oc2cncnc2)ccn1
BDBM104712 Clc1cccc(c1)C(=O)Nc1ccnc(Oc2cccnc2)c1
BDBM104713 Clc1cccc(c1)C(=O)Nc1cccc(Oc2cccnc2)n1
BDBM104714 Clc1cccc(c1)C(=O)Nc1cc(Oc2cccnc2)ncn1
BDBM104715 Clc1cccc(c1)C(=O)Nc1cc(Oc2cccnc2)ccn1
BDBM104716 Clc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)n1
BDBM104717 Clc1cccc(c1)C(=O)Nc1nccc(Oc2cccnc2)n1
BDBM104718 Clc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)c1
BDBM104719 FC(F)(F)c1ccc(Oc2ccnc(NC(=O)c3cccc(Cl)c3)c2)cn1
BDBM104720 Cc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)n1
BDBM104721 O=C(Nc1cncc(Oc2cccnc2)n1)c1cccc(c1)C#N
BDBM104722 Cc1cccc(n1)C(=O)Nc1cncc(Oc2cccnc2)n1
BDBM104723 Cc1ccc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)cn1
BDBM104724 Cc1cccc(c1)C(=O)Nc1cncc(Oc2ccc(C)nc2)n1
BDBM104725 Cc1ccc(Oc2cncc(NC(=O)c3cccc(c3)C#N)n2)cn1
BDBM104726 Cc1ccc(Oc2cncc(NC(=O)c3cccc(C)n3)n2)cn1
BDBM104727 Clc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM104728 Cc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM104729 O=C(Nc1cncc(Oc2cncnc2)n1)c1cccc(c1)C#N
BDBM104730 Cc1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM104731 Clc1cccc(c1)C(=O)Nc1cccc(Oc2cncnc2)n1
BDBM104732 Cc1cccc(c1)C(=O)Nc1cccc(Oc2cncnc2)n1
BDBM104733 O=C(Nc1cccc(Oc2cncnc2)n1)c1cccc(c1)C#N
BDBM104734 Cc1cccc(n1)C(=O)Nc1cccc(Oc2cncnc2)n1
BDBM104735 FC(F)(F)c1ccc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)cn1
BDBM104736 Cc1cccc(c1)C(=O)Nc1cncc(Oc2ccc(nc2)C(F)(F)F)n1
BDBM104737 FC(F)(F)c1ccc(Oc2cncc(NC(=O)c3cccc(c3)C#N)n2)cn1
BDBM104738 Cc1cccc(n1)C(=O)Nc1cncc(Oc2ccc(nc2)C(F)(F)F)n1
BDBM104739 Cc1cccc(c1)C(=O)Nc1cccc(Oc2cccnc2)n1
BDBM104740 O=C(Nc1cccc(Oc2cccnc2)n1)c1cccc(c1)C#N
BDBM104741 Cc1cccc(n1)C(=O)Nc1cccc(Oc2cccnc2)n1
BDBM104742 Cc1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)n2)cn1
BDBM104743 Cc1cccc(c1)C(=O)Nc1cccc(Oc2ccc(C)nc2)n1
BDBM104745 Cc1ccc(Oc2cccc(NC(=O)c3cccc(C)n3)n2)cn1
BDBM104746 FC(F)(F)c1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)n2)cn1
BDBM104747 Cc1cccc(c1)C(=O)Nc1cccc(Oc2ccc(nc2)C(F)(F)F)n1
BDBM104748 FC(F)(F)c1ccc(Oc2cccc(NC(=O)c3cccc(c3)C#N)n2)cn1
BDBM104749 Cc1cccc(n1)C(=O)Nc1cccc(Oc2ccc(nc2)C(F)(F)F)n1
BDBM104750 Cc1ccc(Oc2cccc(NC(=O)c3cccc(c3)C#N)n2)cn1
BDBM104751 O=C(Nc1ccnc(Oc2cccnc2)c1)c1cccc(c1)C#N
BDBM104752 Clc1cccc(c1)C(=O)Nc1ccnc(Oc2cncnc2)c1
BDBM104753 O=C(Nc1ccnc(Oc2cncnc2)c1)c1cccc(c1)C#N
BDBM104754 Brc1cccc(c1)C(=O)Nc1ccnc(Oc2cccnc2)c1
BDBM104755 Brc1cccc(c1)C(=O)Nc1ccnc(Oc2cncnc2)c1
BDBM104756 Brc1cccc(c1)C(=O)Nc1cncc(Oc2cccnc2)c1
BDBM104757 O=C(Nc1cncc(Oc2cccnc2)c1)c1cccc(c1)C#N
BDBM104758 Clc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104759 O=C(Nc1cncc(Oc2cncnc2)c1)c1cccc(c1)C#N
BDBM104760 Fc1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104761 Fc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104762 Fc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104763 Fc1ccc(Cl)cc1C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104764 Brc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104765 Fc1ccc(cc1C(=O)Nc1cncc(Oc2cncnc2)c1)C#N
BDBM104766 O=C(Nc1cncc(Oc2cncnc2)c1)c1ccccn1
BDBM104767 Clc1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104768 FC(F)(F)c1cccc(n1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104769 Fc1ccc(nc1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104770 Clc1cncc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104771 O=C(Nc1cncc(Oc2cncnc2)c1)c1cncc(c1)C#N
BDBM104772 O=C(Nc1cncc(Oc2cncnc2)c1)c1cscn1
BDBM104773 FC(F)(F)c1nc(cs1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104774 O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(cs1)C#N
BDBM104775 COc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104776 Fc1ccc(F)c(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104777 O=C(Nc1cc(Oc2cccnc2)ccn1)c1cccc(c1)C#N
BDBM104778 Clc1cccc(c1)C(=O)Nc1cc(Oc2cncnc2)ccn1
BDBM104779 O=C(Nc1cc(Oc2cncnc2)ccn1)c1cccc(c1)C#N
BDBM104780 Brc1cccc(c1)C(=O)Nc1cc(Oc2cncnc2)ccn1
BDBM104781 CN(c1cncnc1)c1ccnc(NC(=O)c2cccc(c2)C#N)c1
BDBM104782 CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Br)c2)c1
BDBM104783 CN(c1cccnc1)c1ccnc(NC(=O)c2cccc(Cl)c2)c1
BDBM104784 CN(c1cncnc1)c1ccnc(NC(=O)c2cccc(Br)c2)c1
BDBM104785 CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1
BDBM104786 CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(c2)C#N)c1
BDBM104787 CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Br)c2)c1
BDBM104788 CN(c1cccnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
BDBM104789 CN(c1cccnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1
BDBM104790 CCN(c1cccnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
BDBM104791 CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1
BDBM104792 CN(c1cncnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
BDBM104793 CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1
BDBM104794 CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(c2)C#N)c1
BDBM104795 CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1
BDBM104796 CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1
BDBM104797 CN(c1cncnc1)c1cc(NC(=O)c2cccc(Cl)c2)ccn1
BDBM104798 Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM104799 Brc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)c1
BDBM174267 F[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
BDBM50004051 NC(CCP(O)(O)=O)C(O)=O
BDBM50002369 CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r|
BDBM50002370 Cc1o[nH]c(=O)c1CC(N)C(O)=O
BDBM50002371 NC(CCC(O)=O)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|
BDBM50013055 NC(CCC([O-])=O)C([O-])=O
BDBM50017229 N[C@@H](CCCP(O)(O)=O)C(O)=O |r|
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
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
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|
BDBM50052553 N[C@@H](CCCC(O)=O)C(O)=O
BDBM50056272 N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
BDBM50062522 N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)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
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
BDBM50072169 CCCCC[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
BDBM50072171 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
BDBM50071163 N[C@@]1(C[C@@H](N(Cc2ccc(Cl)c(Cl)c2)C1)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
BDBM50076476 N[C@]1(C[C@@H](C1)n1oc(=O)[nH]c1=O)C(O)=O |wU:1.0,wD:3.5,1.13,(11.94,-4.18,;12.34,-5.68,;12.6,-7.19,;11.08,-7.43,;10.82,-5.93,;10.19,-8.69,;8.65,-8.69,;8.18,-10.16,;6.71,-10.65,;9.42,-11.07,;10.66,-10.16,;12.13,-10.63,;13.88,-5.68,;14.65,-7.01,;14.65,-4.32,)|
BDBM50076477 N[C@@]1(C[C@@H](C1)n1oc(=O)[nH]c1=O)C(O)=O |wU:3.5,1.0,wD:1.13,(11.94,-4.18,;12.34,-5.68,;10.82,-5.93,;11.08,-7.43,;12.6,-7.19,;10.19,-8.69,;8.65,-8.69,;8.18,-10.16,;6.71,-10.65,;9.42,-11.07,;10.66,-10.16,;12.13,-10.63,;13.88,-5.68,;14.65,-7.01,;14.65,-4.32,)|
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
BDBM50080064 Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
BDBM50084136 N[C@@]1(CCc2cc(ccc12)C(O)=O)C(O)=O
BDBM50084137 Cc1cccc(n1)C#Cc1ccccc1
BDBM50084139 NC(C(O)=O)C12CC(C1)(C2)C(O)=O
BDBM50084140 Cc1cc(ccc1[C@H](N)C(O)=O)C(O)=O
BDBM50084141 Cc1cccc(\C=C\c2ccccc2)n1
BDBM50084142 NC(C(O)=O)c1cc(O)ccc1Cl
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
BDBM50089893 NC1(CCc2cc(ccc12)P(O)(O)=O)C(O)=O
BDBM50089895 N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
BDBM50089896 Cc1cc(ccc1C(N)C(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
BDBM50089900 NC(C(O)=O)c1cc(O)cc(O)c1Cl
BDBM50089901 N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
BDBM50089905 NC(CC1c2ccccc2Sc2ccccc12)(C(O)=O)c1ccc(cc1)C(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|
BDBM50089909 N[C@@](CC1c2ccccc2Sc2ccccc12)([C@@H]1C[C@@H](C1)C(O)=O)C(O)=O |wU:19.24,17.20,1.0,wD:1.1,(-1.1,-9.45,;.38,-9.45,;.38,-10.93,;.4,-12.48,;-.94,-13.25,;-2.28,-12.5,;-3.62,-13.28,;-3.6,-14.82,;-2.27,-15.58,;-.94,-14.81,;.4,-15.58,;1.74,-14.79,;3.09,-15.58,;4.45,-14.79,;4.43,-13.22,;3.09,-12.45,;1.74,-13.24,;.35,-6.51,;1.36,-5.43,;.28,-4.43,;-.73,-5.52,;.23,-2.96,;1.48,-2.17,;-1.08,-2.26,;1.67,-8.73,;1.29,-6.9,;3.27,-8.08,)|
BDBM50089910 CC(N)(C(O)=O)c1ccc(cc1)P(O)(O)=O
BDBM50089913 Cc1c(O)c(ccc1C(N)C(O)=O)C(O)=O
BDBM50089914 NC(C(O)=O)c1cccc(O)c1
BDBM50094186 CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2
BDBM50123005 COc1cccc(c1)C#Cc1cccc(C)n1
BDBM50123008 COCc1cncc(c1)C#Cc1ccccn1
BDBM50123009 Cc1nc(cs1)C#Cc1cncc(C)c1
BDBM50122757 Cc1nc(cs1)C#Cc1ccccn1
BDBM50122758 Cc1nc(cs1)C#Cc1cccnc1
BDBM50122759 Cc1nc(cs1)C#Cc1ccccc1
BDBM50122760 c1csc(n1)C#Cc1ccccc1
BDBM50122761 c1nc(cs1)C#Cc1ccccc1
BDBM50122762 Cc1csc(n1)C#Cc1ccccc1
BDBM50122763 Cc1nc(cs1)C#Cc1ccncc1
BDBM50132507 CC(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132508 O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccc1
BDBM50132510 O=C(C1CCCC1)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132511 O=C(C1CCC1)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132512 O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132519 CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132543 CC(=O)N1CCCn2nc(CNc3ccccc3)cc12
BDBM50132546 CC(=O)N1CCCn2nc(CN3CCCc4ccccc34)cc12
BDBM50132549 CC(=O)N1CCCn2nc(COc3ccc(F)cc3)cc12
BDBM50132553 CC(=O)N1CCCn2nc(COc3ccccc3F)cc12
BDBM50132548 CC(=O)N1CCCn2nc(CN3CCOc4ccccc34)cc12
BDBM50132555 O=C(N1CCCn2nc(COc3ccccc3)cc12)c1nccs1
BDBM50132559 O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccncc1
BDBM50132586 Clc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132588 Fc1cccc(c1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50149792 Cc1nc(cs1)C#Cc1cncc(c1)-c1cccnc1
BDBM50149793 Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccc1
BDBM50149794 Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccn1
BDBM50149795 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccncc1
BDBM50149796 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccn1
BDBM50149797 Cc1nc(cs1)C#Cc1ccccc1C
BDBM50149798 Cc1nc(cs1)C#Cc1cccc(c1)-c1ccccc1
BDBM50149799 Cc1nc(cs1)C#Cc1ccc(cc1)-c1ccccc1
BDBM50149800 Cc1nc(cs1)C#Cc1cncc(c1)-c1ccncc1
BDBM50149801 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1
BDBM50149802 Cc1nc(cs1)C#Cc1cccc(C)c1
BDBM50149803 Cc1nc(cs1)C#Cc1ccc(C)cc1
BDBM50149804 Cc1nc(cs1)C#Cc1ccccc1-c1ccccc1
BDBM50149805 Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1
BDBM206015 CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1ccc(F)cc1
BDBM206050 CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cc(F)cc(c1)C#N
BDBM206048 CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(c1)C#N
BDBM206016 CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1
BDBM206046 CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1cccc(F)c1
BDBM50132589 Fc1ccccc1C(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50151895 N#Cc1cccc(c1)-n1ccc(n1)-c1ccccn1
BDBM50151896 N#Cc1cccc(c1)-c1ncn(n1)-c1ccccn1
BDBM50151897 N#Cc1cccc(c1)-n1ccc(c1)-c1ccccn1
BDBM50151898 N#Cc1cccc(c1)-n1cnc(n1)-c1ccccn1
BDBM50151899 N#Cc1cccc(c1)-c1ccn(c1)-c1ccccn1
BDBM50151900 N#Cc1cccc(c1)-n1cnc(c1)-c1ccccn1
BDBM50151901 N#Cc1cccc(c1)-n1cc(cn1)-c1ccccn1
BDBM50151902 N#Cc1cccc(c1)-c1ccn(n1)-c1ccccn1
BDBM50151903 N#Cc1cccc(c1)-n1cc(nn1)-c1ccccn1
BDBM50151904 N#Cc1cccc(c1)-c1cnn(n1)-c1ccccn1
BDBM50151905 N#Cc1cccc(c1)-n1ncc(n1)-c1ccccn1
BDBM50151906 N#Cc1cccc(c1)-c1nnn(n1)-c1ccccn1
BDBM50151907 N#Cc1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50151908 N#Cc1cccc(c1)-c1cn(cn1)-c1ccccn1
BDBM50151909 N#Cc1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM50151910 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)C#N
BDBM50151911 N#Cc1cccc(c1)-c1cn(nn1)-c1ccccn1
BDBM50151912 N#Cc1cccc(c1)-c1cnn(c1)-c1ccccn1
BDBM50132509 O=C(Cc1ccccc1)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132518 CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132520 CCC(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132545 CN(Cc1cc2N(CCCn2n1)C(C)=O)c1ccccc1
BDBM50132552 CC(=O)N1CCCn2nc(COc3cccc(F)c3)cc12
BDBM50132557 O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccno1
BDBM50156077 Clc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156078 Fc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156079 Oc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156080 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccsc1
BDBM50156081 Cc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156082 Brc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50156061 Clc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50156062 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cnccn1
BDBM50156063 Clc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156064 Fc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156065 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50156066 Cc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156067 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccs1
BDBM50156068 FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156069 Cc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156070 Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50156071 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N
BDBM50156072 Clc1ccccc1C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50156073 Fc1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50132587 Fc1ccc(cc1)C(=O)N1CCCn2nc(COc3ccccc3)cc12
BDBM50132590 CC(=O)N1CCCn2nc(COc3ccccc3)c(F)c12
BDBM50132562 O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccccn1
BDBM50132591 CC(=O)N1CCCc2nc(COc3ccccc3)oc12
BDBM50132598 CC(=O)N1CCCc2nc(COc3ccccc3)sc12
BDBM50132601 CC(=O)N1CCCc2nc(COc3ccccc3)cn12
BDBM50132604 CC(=O)N1CCCn2nc(COc3ccccc3)nc12
BDBM50132607 CC(=O)N1C(CCn2nc(COc3ccccc3)cc12)c1ccccc1
BDBM50132609 CC1CCn2nc(COc3ccccc3)cc2N1C(C)=O
BDBM50156074 Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
BDBM50156075 O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccn1
BDBM50156076 Fc1ccc(cc1F)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
BDBM50154970 Fc1cc(Cc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154971 Fc1cc(Sc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154972 Fc1cc(Nc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154973 CN(c1cccnc1)c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154974 Fc1cc(cc(c1)-n1ccc2ccncc12)-n1nnc(n1)-c1ccccn1
BDBM50154975 O(c1ccccc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154976 O(c1cccc(c1)-n1nnc(n1)-c1ccccn1)c1ccccn1
BDBM50154977 Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154978 O(c1cccnc1)c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154979 O(c1ccc(cc1)-n1nnc(n1)-c1ccccn1)c1cccnc1
BDBM50154980 O(c1cccnc1)c1ccccc1-n1nnc(n1)-c1ccccn1
BDBM50154981 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cccnc1
BDBM50154989 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1
BDBM50154993 Cc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154994 Cc1cccc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50154995 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccncc1
BDBM50154998 Cc1ccc(cc1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155008 COc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155009 Oc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155010 Fc1ccc(F)c(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155011 COC(=O)c1cccc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155012 c1ccc(nc1)-c1nnn(n1)-c1cccc(c1)-c1cccnc1
BDBM50155013 Cc1cccc(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155014 CCc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155015 COc1ncc(cn1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155016 CCOc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155017 Clc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155018 CC(=O)c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155019 CCc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155020 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cccc(Cl)c1
BDBM50155021 CCOc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155022 c1ccc(cc1)-c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155023 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1F
BDBM50155024 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1OC(F)(F)F
BDBM50155025 Oc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155026 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1conc1-c1ccccc1
BDBM50155027 COC(=O)c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155028 COc1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155029 Fc1cccc(F)c1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155030 c1ccc(cc1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155031 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1cncnc1
BDBM50155032 COc1ccc(C)cc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155033 FC(F)(F)c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155034 Cc1ccc(cc1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155035 C(Oc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1)c1ccccc1
BDBM50155036 Cc1cccc(C)c1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155037 [O-][N+](=O)c1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155038 FC(F)(F)Oc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155039 O(c1ccccc1)c1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155040 COc1ncc(cn1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155041 c1ccc(nc1)-c1nnn(n1)-c1cccc(c1)-c1ccncc1
BDBM50155042 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1c(F)cccc1F
BDBM50155043 COC(=O)c1cccc(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155044 Cc1cccc(C)c1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155045 Cc1noc(C)c1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155046 Fc1ccc(cc1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155047 c1c(noc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1
BDBM50155048 Fc1cccc(c1)-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155049 c1coc(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155050 Clc1cccc(c1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155051 Clc1ccc(cc1)-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155052 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1Cl
BDBM50155053 Cc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155054 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccc(Cl)cc1
BDBM50155055 O=Cc1ccccc1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155056 NC(=O)c1ccccc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155057 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1Oc1ccccc1
BDBM50155058 Cc1noc(C)c1-c1cccc(c1)-n1nnc(n1)-c1ccccn1
BDBM50155059 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1-c1ccccc1
BDBM50155060 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1C=O
BDBM50155061 Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccco1
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|
BDBM50132611 CN(Cc1cc2N(CCCn2n1)C(C)=O)C1C2CC1C2 |(4.32,2.44,;4.95,1.38,;4.2,.04,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.76,-1.24,;-1.02,3.1,;.05,3.71,;-2.09,3.72,;6.5,1.41,;7.59,2.57,;8.26,1.4,;7.59,.28,;8.74,1.4,)|
BDBM50132612 CC(=O)N1CCCn2nc(CS(=O)(=O)c3ccccc3)cc12
BDBM50132667 CC(=O)N1CCCn2nc(COc3cccnc3)cc12
BDBM50132665 CC(=O)N1CCCn2nc(CSc3ccccc3)cc12
BDBM50132668 CC(=O)N1CCCn2nc(COc3cc(F)cc(c3)C#N)cc12
BDBM50132669 CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12
BDBM50132610 CC(=O)N1CCCn2nc(CN3CCc4ccccc34)cc12
BDBM50132670 O=C(N1CCCn2nc(COc3ccccc3)cc12)c1ccco1
BDBM50161020 Cc1cccc(NC(=O)c2cccc(Br)n2)n1
BDBM50161021 Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
BDBM50161022 Cc1cccc(NC(=O)c2nc(C)ccc2Nc2cccnc2)n1
BDBM50132666 CC(=O)N1CCCn2nc(COc3ccncc3)cc12
BDBM50132613 CC(=O)N1CCCn2nc(C[S+]([O-])c3ccccc3)cc12
BDBM50161023 Cc1cccc(NC(=O)c2nc(C)cnc2N)n1
BDBM50161024 Nc1ncc(Br)nc1C(=O)Nc1ccccn1
BDBM50161025 Nc1nc(N2CCCCC2)c(Cl)nc1C(=O)Nc1ccccn1
BDBM50161026 CN(C)c1cnc(C(=O)Nc2ccccn2)c(N)n1
BDBM50161027 CN(C)c1ncc(nc1Cl)C(=O)Nc1ccccn1
BDBM50161028 CN(C)c1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
BDBM50161029 Cc1cccc(NC(=O)c2nc(C)ccc2N)n1
BDBM50161030 CC(C)Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
BDBM50161031 Cc1cnc(N)c(n1)C(=O)Nc1ccccn1
BDBM50161032 Nc1nccnc1C(=O)Nc1ccccn1
BDBM50161033 Cc1cccc(NC(=O)c2nc(Cl)cnc2N)n1
BDBM50161013 Nc1ncc(Cl)nc1C(=O)Nc1ccccn1
BDBM50161014 Cc1cccc(NC(=O)c2cccc(C)n2)n1
BDBM50161015 Cc1cncc(n1)C(=O)Nc1ccccn1
BDBM50161016 CNc1ncc(Cl)nc1C(=O)Nc1ccccn1
BDBM50161017 Cc1ccc(O)c(c1)C(=O)Nc1cccc(C)n1
BDBM50161018 Clc1cncc(n1)C(=O)Nc1ccccn1
BDBM50161019 Cc1cccc(NC(=O)c2nc(C)ccc2O)n1
BDBM50171067 CCOc1cccnc1Nc1ccccn1
BDBM50171068 COc1cccnc1Nc1cccc(C)n1
BDBM50171069 CCOc1cccnc1Nc1cccc(OC)n1
BDBM50171070 CCOc1cccnc1Nc1cccc(n1)C(F)(F)F
BDBM50171071 CCOc1cc(C)cnc1Nc1cccc(C)n1
BDBM50171072 Cc1cccc(Nc2ncccc2OCc2ccccc2)n1
BDBM50171074 CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccsn1
BDBM50171073 CCOc1cc(cnc1Nc1cccc(C)n1)C#N
BDBM50171075 CCOc1cc(Cl)cnc1Nc1cccc(C)n1
BDBM50171076 CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccc1
BDBM50171048 CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccc1C#N
BDBM50171049 CCCc1cccnc1Nc1cccc(C)n1
BDBM50171050 CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccnc1
BDBM50171051 CCOc1cc(cnc1Nc1cccc(C)n1)-c1cnccc1C
BDBM50171052 CCOc1cc(cnc1Nc1cccc(C)n1)-c1cncnc1
BDBM50171053 CCOc1c(C)ccnc1Nc1cccc(C)n1
BDBM50171054 CCOc1cccnc1Nc1cccc(n1)C(=O)OC
BDBM50171055 CCOc1cccnc1Nc1cccc(C)n1
BDBM50171056 CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccnc1C#N
BDBM50171057 CCOc1cc(cnc1Nc1cccc(C)n1)-c1cccc(F)c1
BDBM50171058 CCOc1nccnc1Nc1cccc(C)n1
BDBM50171059 CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccc(C)cc1
BDBM50171060 CCNc1cccnc1Nc1cccc(C)n1
BDBM50171061 CCOc1cc(Br)cnc1Nc1cccc(C)n1
BDBM50171062 CCOc1cc(cnc1Nc1cccc(C)n1)-c1ccccn1
BDBM50171063 CCCOc1cccnc1Nc1cccc(C)n1
BDBM50171064 CSc1cccnc1Nc1cccc(C)n1
BDBM50171065 CCOc1cc(Oc2cccnc2)cnc1Nc1cccc(C)n1
BDBM50171066 CC(C)Oc1cccnc1Nc1cccc(C)n1
BDBM50172117 C1CCC(=CC1)C#Cc1ccccn1 |c:3|
BDBM50172118 Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172119 Brc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172120 C1CCC(CC1)C#Cc1ccccn1
BDBM50172121 C1CC(Sc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11|
BDBM50172122 O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:13|
BDBM50172123 Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1 |c:11|
BDBM50172124 C1CC(Sc2ccc3ccccc3c2)C=C(C1)C#Cc1ccccn1 |c:16|
BDBM50172125 C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1 |c:2|
BDBM50172126 Cc1cccc(c1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172127 C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1 |c:2|
BDBM50172128 C1CCC(C1)NC1CCC(=CC1)C#Cc1ccccn1 |c:10|
BDBM50172129 CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc1ccccn1 |c:10|
BDBM50172130 C1CC(Oc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|
BDBM50172131 C1CC(Oc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11|
BDBM50172132 C1CC=C(C1)C#Cc1ccccn1 |c:2|
BDBM50172134 C1CC(=CCN1)C#Cc1ccccn1 |c:2|
BDBM50172135 O=S(=O)(Cc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172136 O=C(OCc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14|
BDBM50172137 C1CC(Nc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|
BDBM50179656 Cc1ccc(NC(=O)Nc2nc(O)c3CCCn23)cc1Cl
BDBM50179644 Cc1cccc(NC(=O)Nc2nc(O)c(-c3ccccc3)n2C)c1
BDBM50179646 CCCCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM50179647 COC(=O)c1cccc(NC(=O)Nc2nc(O)cn2C)c1
BDBM50177102 CCCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177101 CN(C)c1ccnc2sc3c(ncn(C4CC4)c3=O)c12
BDBM50177051 C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
BDBM50177052 CCc1ccc(cc1)-n1cnc2c(sc3cncc(N(C)C)c23)c1=O
BDBM50177053 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177054 CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#N)c23)c1=O
BDBM50177055 CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177056 CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177057 CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
BDBM50177058 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N4CCC4)c23)c1=O
BDBM50177059 CN(C)c1ccnc2sc3c(ncn(C4CCCCCCC4)c3=O)c12
BDBM50177060 CN(C)c1ccnc2sc3c(ncn(C4CCC4)c3=O)c12
BDBM50177061 CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC4CC4)c23)c1=O
BDBM50177062 CN(C)c1cncc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50177063 CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50177064 CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12
BDBM50177065 CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
BDBM50177066 CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CC4)c3=O)c12
BDBM50177067 CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
BDBM50177068 CN(C)c1ccnc2sc3c(ncn(c3=O)C34CC5CC(CC(C5)C3)C4)c12 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
BDBM50177069 CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O
BDBM50177070 CN(C)c1ccnc2sc3c(ncn(C4CCCCC4)c3=O)c12
BDBM50177071 CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
BDBM50177072 CC1CCC(CC1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O |(5.87,-19.78,;4.34,-19.93,;3.7,-21.33,;2.18,-21.48,;1.29,-20.23,;1.91,-18.82,;3.44,-18.68,;-.24,-20.38,;-1.15,-19.13,;-2.7,-19.28,;-3.32,-20.7,;-2.41,-21.95,;-3.32,-23.19,;-4.79,-22.72,;-6.12,-23.49,;-7.45,-22.72,;-7.45,-21.18,;-6.12,-20.41,;-6.13,-18.87,;-4.8,-18.1,;-7.46,-18.11,;-4.79,-21.17,;-.88,-21.79,;.02,-23.04,)|
BDBM50177073 CCCCc1nc2c(sc3nccc(N(C)C)c23)c(=O)n1-c1ccc(CC)cc1
BDBM50177074 CCN(C)c1ccnc2sc3c(ncn(-c4ccc(CC)cc4)c3=O)c12
BDBM50177075 CN(C)c1ccnc2sc3c(ncn(CC4CCCCC4)c3=O)c12
BDBM50177076 CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50177077 CCC(CC)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177078 CN(C)c1ccnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
BDBM50177079 CN(C)c1ccnc2sc3c(ncn(-c4ccccc4)c3=O)c12
BDBM50177080 CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
BDBM50177081 CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c12
BDBM50177082 CN(C)c1ccnc2sc3c(ncn(-c4ccc5cn[nH]c5c4)c3=O)c12
BDBM50177083 CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCOC)c23)c1=O
BDBM50177084 COc1ccc(cn1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177085 CN(C)c1ccnc2sc3c(ncn(C4CCCC4)c3=O)c12
BDBM50177086 CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC)c23)c1=O
BDBM50177087 CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CCCCC4)c3=O)c12
BDBM50177088 CCc1ccc(cc1)-n1cnc2c(oc3nccc(N(C)C)c23)c1=O
BDBM50177089 CC1CCC(CC1)n1cnc2c(oc3nccc(N(C)C)c23)c1=O |(26.6,2.2,;25.06,2.14,;24.34,.78,;22.81,.72,;21.99,2.03,;22.7,3.39,;24.24,3.44,;20.45,1.98,;19.53,3.22,;17.99,3.06,;17.37,1.64,;18.29,.39,;17.37,-.87,;15.9,-.39,;14.57,-1.16,;13.23,-.39,;13.24,1.15,;14.56,1.92,;14.56,3.46,;15.89,4.23,;13.22,4.22,;15.9,1.16,;19.82,.55,;20.73,-.69,)|
BDBM50177090 CCc1ccc(cc1)-n1cnc2c(sc3cccc(N(C)C)c23)c1=O
BDBM50177091 CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(C)(C)C)c3=O)c12
BDBM50177092 CC(C)c1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177093 CCc1ccc(cc1)-n1c(C)nc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177094 CC1CCCCC1n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177095 CCc1ccc(cc1)-n1c(CC)nc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177096 CN(C)c1ccnc2sc3c(nnn(C4CCCCCC4)c3=O)c12
BDBM50177097 CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50177098 CN(C)c1ccnc2sc3c(ncn(CC4CCCC4)c3=O)c12
BDBM50177099 CC1CCCC(C1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50177100 CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
BDBM50179657 Cc1cccnc1NC(=O)Nc1nc(O)cn1C
BDBM50179658 Cc1ccc(C)c(NC(=O)Nc2nc(O)c3CCCn23)c1
BDBM50179661 Cc1cccc(NC(=O)Nc2nc(O)c3CCCn23)c1C
BDBM50181065 Clc1cc(COc2cc(cc(Cl)n2)C#N)ccn1
BDBM50179666 Cn1cc(O)nc1NC(=O)c1cccc(Cl)c1
BDBM50179667 Cn1cc(O)nc1NC(=O)Nc1cccc(Br)c1
BDBM50179668 Cn1cc(O)nc1NC(=O)Nc1cccs1
BDBM50181067 Cc1cc(COc2cc(cc(Cl)n2)C#N)ccn1
BDBM50179669 Cc1cccc(NC(=O)Nc2nc(O)cn2C)c1
BDBM50181073 Cc1cc(cc(OCc2cccc(Cl)c2)n1)C#N
BDBM50181074 COc1ccc(COc2cc(C)cc(c2)N2C(=O)c3ccccc3C2=O)cc1
BDBM50181075 Clc1cccc(COc2cc(cc(Cl)n2)C#N)c1
BDBM50181076 Cc1cc(OCc2cccc(c2)C#N)cc(c1)N1C(=O)c2ccccc2C1=O
BDBM50181077 CN(C(=O)C(F)(F)F)c1cc(C)nc(OCc2cccc(Cl)c2)c1
BDBM50181078 CCCCCOC(=O)N(C)c1cc(C)cc(OCc2cccc(Cl)c2)c1
BDBM50181079 CN(c1cncnc1)c1cc(C)nc(OCc2cccc(Cl)c2)c1
BDBM50181080 Cc1cc(OCc2ccccc2)cc(c1)N1C(=O)c2ccccc2C1=O
BDBM50181081 Cc1nc(cn1-c1cc(C)nc(OCc2cccc(Cl)c2)c1)C(N)=O
BDBM50181082 O=C1N(C(=O)c2ccccc12)c1cccc(OCc2ccccc2)c1
BDBM50181083 Cc1cc(cc(OCc2cccc(Cl)c2)n1)-c1ocnc1CO
BDBM50181062 COCC(=O)N(C)c1cc(C)cc(OCc2cccc(Cl)c2)c1
BDBM50181063 Cc1ccc(C)n1-c1cc(OCc2cccc(Cl)c2)cc(C)n1
BDBM50181064 Cc1ccc(C)n1-c1cc(C)cc(OCc2cccc(Cl)c2)c1
BDBM50181084 CN(Cc1cccnc1)C(=O)c1cc(C)nc(OCc2cccc(Cl)c2)c1
BDBM50181085 Cc1cc(OCc2ccc(Cl)cc2)cc(c1)N1C(=O)c2ccccc2C1=O
BDBM50181086 Cc1cc(OCc2ccc(F)cc2)cc(c1)N1C(=O)c2ccccc2C1=O
BDBM50181087 CN(C(=O)Cc1c(F)cccc1F)c1cc(C)cc(OCc2cccc(Cl)c2)c1
BDBM50181066 Cc1cc(OCc2cccc(Cl)c2)cc(c1)N1C(=O)c2ccccc2C1=O
BDBM50179640 Oc1nc(NC(=O)Nc2cccc(Cl)c2)n2CCCc12
BDBM50179641 CN1CCCC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
BDBM50179642 CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM50179643 CN1CCSC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
BDBM50179645 Cc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
BDBM50181068 Cc1cc(OCc2cccc(Cl)c2)cc(c1)-c1cccnc1
BDBM50181069 Cc1ccc(C)n1-c1cc(C)nc(OCc2cccc(Cl)c2)c1
BDBM50181070 Cc1nccn1-c1cc(C)cc(OCc2cccc(Cl)c2)c1
BDBM50181071 Cc1ccc(COc2cc(C)cc(c2)N2C(=O)c3ccccc3C2=O)cc1
BDBM50181072 Cc1ccc(C)n1-c1cc(C)cc(OCc2cccc(Cl)c2)n1
BDBM50179648 Cn1cc(O)nc1NC(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50179649 CCCCCCNC(=O)Nc1nc(O)cn1C
BDBM50179652 Cn1cc(O)nc1NC(=O)Nc1cccc(c1)C#N
BDBM50179653 Oc1nc(NC(=O)Nc2ccc(Cl)cc2)n2CCCc12
BDBM50179654 CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM50179655 Cn1ccnc1NC(=O)Nc1cccc(Cl)c1
BDBM50179659 Cc1ccccc1NC(=O)Nc1nc(O)c2CCCn12
BDBM50179660 Oc1nc(NC(=O)Nc2ccccc2)n2CCCc12
BDBM50179662 COc1cccc(NC(=O)Nc2nc(O)cn2C)c1
BDBM50179663 Cn1c(O)cnc1NC(=O)Nc1cccc(Cl)c1
BDBM50179664 CN1CCCC1=NC(=O)Nc1c(C)cccc1C |w:6.7|
BDBM50179665 Cc1ccc(NC(=O)Nc2nc(O)cn2C)nc1
BDBM50181741 Cc1nc(cs1)C#Cc1ccc(OS(C)(=O)=O)nc1
BDBM50181742 Cc1nc(cs1)C#Cc1cccnc1Cl
BDBM50181743 Fc1cccc(c1)C#Cc1csc(n1)-c1cc(F)cc(F)c1
BDBM50181744 Cc1nc(cs1)C#Cc1ccc(C=C)nc1
BDBM50181745 Cc1nc(cs1)C#Cc1cccc(c1)C#N
BDBM50181746 Cc1nc(cs1)C#Cc1cncc(c1)C#CCO
BDBM50181747 Cc1nc(cs1)C#Cc1cnc2ccccc2c1
BDBM50181748 Cc1nc(cs1)C#Cc1cccc(F)c1
BDBM50181749 COc1ccccc1C#Cc1csc(C)n1
BDBM50181750 Cc1nc(cs1)C#Cc1ccc(F)nc1
BDBM50181751 Cc1nc(co1)C#Cc1cccc(F)c1
BDBM50181752 Cc1nc(cs1)C(=O)Nc1cccc(F)c1
BDBM50181753 Cc1nc(cs1)C#Cc1cncc(C=C)c1
BDBM50181754 Cc1nc(cs1)C#Cc1cccc(c1)C(F)(F)F
BDBM50181755 COc1ccc(cn1)C#Cc1csc(C)n1
BDBM50181756 Cc1nc(C#Cc2cccnc2)c(s1)-c1ccccc1
BDBM50181757 Nc1nc(cs1)C#Cc1cccnc1
BDBM50181758 Cc1nc(cs1)C#Cc1ccc2[nH]ccc2c1
BDBM50181759 Cc1nc(cs1)C#Cc1cc(F)cc(F)c1
BDBM50181760 Cc1nc(cs1)C#Cc1cccnc1C#C
BDBM50181761 Cc1nc(cs1)C#Cc1ccc2nccnc2c1
BDBM50181762 Cc1nc(\C=C\c2cccnc2)cs1
BDBM50181763 Cc1nc(cs1)C#Cc1ccc(Cl)nc1
BDBM50181764 Cc1nc(co1)C#Cc1cccnc1
BDBM50181765 Cc1nc(cs1)C#Cc1ccc(F)cc1
BDBM50181766 Cc1nc(cs1)C#Cc1ccc(nc1)C#C
BDBM50181767 CC(=O)Nc1cccc(c1)C#Cc1csc(C)n1
BDBM50181768 Cc1nc(cs1)C#Cc1cccs1
BDBM50181769 Cc1nc(cs1)C#Cc1ccc(F)cn1
BDBM50181770 Nc1nc(cs1)C#Cc1cccc(F)c1
BDBM50181771 Cc1nc(cs1)C#Cc1cccc(OC(F)(F)F)c1
BDBM50181772 Cc1nc(cs1)C#Cc1cncnc1
BDBM50181773 Fc1cccc(c1)C#Cc1csc(n1)C#C
BDBM50181774 Cc1nc(cs1)C#Cc1cccc(c1)C(N)=O
BDBM50181775 COC(=O)Nc1nc(cs1)C#Cc1cccnc1
BDBM50181776 CC(=O)Nc1nc(cs1)C#Cc1cccnc1
BDBM50181777 Cc1nc(cs1)C#Cc1cncc(Br)c1
BDBM50181778 Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)cc1
BDBM50181779 Cc1nc(cs1)C#Cc1cccc(Cl)c1
BDBM50181780 Cc1nc(cs1)C#Cc1ccccc1F
BDBM50181781 Fc1cccc(c1)C#Cc1csc(Br)n1
BDBM50181782 Cc1nc(cs1)C(=O)Nc1cccnc1
BDBM50181783 Cc1nc(cs1)C#Cc1cccnc1OS(C)(=O)=O
BDBM50181784 Cc1nc(cs1)C#Cc1cccc(O)c1
BDBM50181785 Cc1nc(cs1)C#Cc1cncc(c1)C#C
BDBM50181736 Cc1nc(cs1)C#Cc1cnccn1
BDBM50181737 C(Nc1nc(cs1)C#Cc1cccnc1)c1ccccc1
BDBM50181786 CCc1sc(C)nc1C#Cc1cccnc1
BDBM50181787 Cc1nc(C#Cc2cccnc2)c(C)s1
BDBM50181788 Cc1nc(cs1)C#Cc1ccsc1
BDBM50181789 Cc1nc(cs1)C#Cc1cncc(c1)-c1ccc(F)cc1
BDBM50181738 COc1ccc(cc1)-c1cncc(c1)C#Cc1csc(C)n1
BDBM50181739 COc1cccc(c1)C#Cc1csc(C)n1
BDBM50181740 COc1ncccc1C#Cc1csc(C)n1
BDBM50181790 OCC#Cc1nc(cs1)C#Cc1cccc(F)c1
BDBM50181791 Fc1ccc(NC(=O)Nc2nc(cs2)C#Cc2cccnc2)c(F)c1
BDBM50182817 Brc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
BDBM50182818 Clc1ccc(Nc2ccnc(n2)-c2ccccn2)cc1
BDBM50182819 Cc1cccc(n1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
BDBM50182820 CC(=O)N(c1ccc(Cl)cc1)c1ccnc(n1)-c1ccccn1
BDBM50182821 Fc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1F
BDBM50182822 Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
BDBM50182823 Fc1ccc(nc1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
BDBM50182805 OC(c1ccc(Cl)cc1)c1ccnc(n1)-c1ccccn1
BDBM50182806 Clc1ccc(Cc2ccnc(n2)-c2ccccn2)cc1
BDBM50182807 Clc1ccc(Sc2ccnc(n2)-c2ccncc2)cc1
BDBM50182808 Clc1ccc(Oc2ccnc(n2)-c2ccccn2)cc1
BDBM50182809 Clc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
BDBM50182810 Clc1ccc(Sc2ccnc(n2)-c2cccnc2)cc1
BDBM50182811 Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1Cl
BDBM50182812 Clc1ccc(Sc2ccnc(c2)-c2ccccn2)cc1Cl
BDBM50182813 FC(F)(F)c1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
BDBM50182814 Cc1cc(Sc2ccc(Cl)cc2)nc(n1)-c1ccccn1
BDBM50182815 Cc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
BDBM50182816 FC(F)(F)c1cccc(Sc2ccnc(n2)-c2ccccn2)c1
BDBM50184701 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50186319 Cc1cccc(c1)C(=O)Nc1cccc(C)n1
BDBM50186320 Cc1csc(NC(=O)c2cccc(Cl)c2)n1
BDBM50186321 COc1cccc(c1)C(=O)Nc1cccc(C)n1
BDBM50186322 Clc1cccc(c1)C(=O)Nc1cccc(Cl)n1
BDBM50186324 Cc1cccc(NC(=O)c2cccc(Br)c2)n1
BDBM50186325 Cc1cccc(NC(=O)c2cccc(I)c2)n1
BDBM50186330 Cc1cccc(NC(=O)c2cccc(c2)C#N)n1
BDBM50186331 Cc1cccc(NC(=O)c2cccc(c2)-c2ccccc2)n1
BDBM50187649 Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1
BDBM50191117 Cc1cccc(n1)C#CCCc1ccccc1
BDBM50191118 CC(Oc1cccc(Cl)c1)C#Cc1cccc(C)n1
BDBM50191119 CC(C)C(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
BDBM50191152 COc1cccc(OCC#Cc2ccncc2)c1
BDBM50191153 COc1cccc(OCC#Cc2cnccn2)c1
BDBM50191154 COC(=O)c1cncc(OCC#Cc2cccc(C)n2)c1
BDBM50191120 Cc1cccc(n1)C#CCSc1ccccc1
BDBM50191121 Cc1cccc(n1)C#CCS(=O)c1ccccc1
BDBM50191122 CCC(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
BDBM50191155 COc1cccc(OCC#Cc2nccs2)c1
BDBM50191156 COc1cccc(OCC#Cc2ccc(C)cn2)c1
BDBM50191157 Cc1cccc(n1)C#CCOc1cccc(Cl)c1
BDBM50191123 Cc1cccc(n1)C#CCCCc1ccccc1
BDBM50191124 CC(CC#Cc1cccc(C)n1)c1ccccc1
BDBM50191125 CN(CC#Cc1cccc(C)n1)c1ccccc1
BDBM50191158 Cc1cccc(n1)C#CCOc1ccccc1Cl
BDBM50191159 COc1cccc(OCC#Cc2ncccc2C)c1
BDBM50191160 COc1cccc(OCC#Cc2cc(C)ccn2)c1
BDBM50191115 Cc1cccc(n1)C#CCNC(=O)Nc1cccc(Cl)c1
BDBM50191126 Cc1cccc(n1)C#CCNC(=O)c1cccc(Cl)c1
BDBM50191127 Cc1cccc(n1)C#CCCc1cccc(Cl)c1
BDBM50191128 Cc1cccc(n1)C#CC(=O)Nc1ccccc1
BDBM50191161 Cc1cccc(n1)C#CCOc1cccc(c1)[N+]([O-])=O
BDBM50191162 Cc1cccc(n1)C#CCOc1cc(=O)[nH]c2ccccc12
BDBM50191129 CC(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
BDBM50191130 Cc1cccc(n1)C#CCNc1cccc(Cl)c1
BDBM50191131 Cc1cccc(n1)C#CCNc1ccccc1
BDBM50191139 Cc1cccc(n1)C#CCOc1ccc(Cl)c(Cl)c1
BDBM50191140 Cc1cccc(n1)C#CCOc1ccccc1
BDBM50191141 Cc1cccc(n1)C#CCOc1cccnc1
BDBM50191142 COc1cccc(OCC#Cc2cccc(C)n2)c1
BDBM50191143 COc1cccc(OCC#Cc2ccccn2)c1
BDBM50191144 COc1cccc(OCC#Cc2cccc(OC)n2)c1
BDBM50191145 COc1ccc(OCC#Cc2cccc(C)n2)cc1
BDBM50191113 Cc1cccc(n1)C#Cc1cc2ccccc2s1
BDBM50191146 CC(C)c1ccc(OCC#Cc2cccc(C)n2)cc1
BDBM50191147 Cc1cccc(n1)C#CCOc1ccc(Cl)cc1
BDBM50191148 CCC([O-])(C[O-])c1cc(F)cc(OCC#Cc2ccccn2)c1
BDBM50191149 Cc1cccc(n1)C#CCOc1ccc2CCCCc2c1
BDBM50191114 CC(Nc1cccc(Cl)c1)C#Cc1cccc(C)n1
BDBM50191116 Cc1cccc(n1)C#CCSc1cccc(Cl)c1
BDBM50191150 Cc1ccc(OCC#Cc2cccc(C)n2)cn1
BDBM50191151 Cc1ccc(OCC#Cc2cccc(C)n2)cc1
BDBM50198702 CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7|
BDBM50201499 Clc1cccc(NC(=O)c2cccc3nc[nH]c23)c1
BDBM50201500 Clc1cccc(NC(=O)c2cccc3OCC(=O)Nc23)c1
BDBM50201501 O=C(Nc1ccccc1)c1cccc2oc(=O)[nH]c12
BDBM50201658 Cn1cc(O)nc1NC(=O)Nc1csc(Cl)c1
BDBM50201659 Cn1cc(O)nc1NC(=O)Nc1ccccc1
BDBM50201660 Cc1cccc(n1)C#Cc1cccnc1
BDBM50201661 Cc1cccc(n1)C#Cc1ccccc1Cl
BDBM50201662 Cn1cc(O)nc1NC(=O)Nc1ccccc1Cl
BDBM50201663 Cn1cc(O)nc1NC(=O)Nc1ccncc1
BDBM50201664 Cn1cc(O)nc1NC(=O)Nc1ncccc1Cl
BDBM50201665 Cn1cc(O)nc1NC(=O)Nc1ccccn1
BDBM50201666 Cc1cccc(n1)C#Cc1ccccn1
BDBM50201667 Cn1cc(O)nc1NC(=O)Nc1cccnc1
BDBM50201669 Cc1cccc(n1)C#Cc1ccc(Cl)cc1
BDBM50201671 Cn1cc(O)nc1NC(=O)Nc1ccsc1
BDBM50201672 Cc1cccc(n1)C#Cc1cccc(Cl)c1
BDBM50201673 Cc1cccc(n1)C#Cc1ccncc1
BDBM50201674 Cn1cc(O)nc1NC(=O)Nc1ccncc1Cl
BDBM50201675 Cn1cc(O)nc1NC(=O)Nc1ccc(Cl)cc1
BDBM50201676 Cc1cnccc1NC(=O)Nc1nc(O)cn1C
BDBM50201481 Clc1cc(Cl)cc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
BDBM50201478 Clc1cccc(NC(=O)c2cccc3CC(=O)Nc23)c1
BDBM50201479 Cc1cc(NC(=O)c2cccc3oc(=O)[nH]c23)ccn1
BDBM50201480 O=C(Nc1ccccn1)c1cccc2oc(=O)[nH]c12
BDBM50201487 Cn1c2cccc(C(=O)Nc3cccc(Cl)c3)c2[nH]c1=O
BDBM50201482 Clc1cccc(NC(=O)c2cccc3[nH]c(=O)oc23)c1
BDBM50201483 CC(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1
BDBM50201484 Cc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1
BDBM50201485 Cc1nccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1
BDBM50201486 Cc1nc(NC(=O)c2cccc3oc(=O)[nH]c23)cs1
BDBM50201489 COc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
BDBM50201490 O=C(Nc1cccc(c1)C#N)c1cccc2oc(=O)[nH]c12
BDBM50201488 Brc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
BDBM50201491 Clc1cccc(NC(=O)c2cccc3[nH]c(=O)[nH]c23)c1
BDBM50201492 Cc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
BDBM50201493 Clc1ccc(NC(=O)c2cccc3oc(=O)[nH]c23)cc1
BDBM50201494 FC(F)(F)c1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
BDBM50201495 Clc1cccc(NC(=O)c2cccc3nn[nH]c23)c1
BDBM50201496 Clc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
BDBM50201497 Clc1ccccc1NC(=O)c1cccc2oc(=O)[nH]c12
BDBM50201498 Clc1cccc(NC(=O)c2cccc3cc[nH]c23)c1
BDBM50202117 Cc1ccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c2c1C
BDBM50202118 [O-][N+](=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202119 Clc1ccc(NC(=O)c2ccccn2)c(\C=C\C(=O)c2ccccc2)c1
BDBM50202120 Clc1ccc(NC(=O)c2ncccn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202121 Oc1cccnc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202122 Clc1ccc(NC(=O)c2ccccn2)c(CCC(=O)c2ccccc2)c1
BDBM50202123 COc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202124 COc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202125 Cc1ccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c2c1C
BDBM50202126 Fc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202127 Clc1ccc(NC(=O)c2cccnc2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202128 Clc1ccc(NC(=O)c2cccnn2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202129 COc1ccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c2c1OC
BDBM50202130 COc1cccc(c1)C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202131 FC(F)(F)c1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O
BDBM50202132 COc1ccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c2c1OC
BDBM50202133 CCOc1cccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c12
BDBM50202134 Clc1ccc(NC(=O)c2ccco2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202135 Clc1ccc(NC(=O)C2CCCCC2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202136 Fc1ccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c2c1
BDBM50202137 Fc1cccc(NC(=O)c2ccccn2)c1CN1C(=O)c2ccccc2C1=O
BDBM50202139 O=C(Nc1ccccc1CN1C(=O)c2ccccc2C1=O)c1ccccn1
BDBM50202140 Fc1ccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c2c1
BDBM50202141 CCN(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C(=O)c1cc(Cl)cc(Cl)c1
BDBM50202142 Clc1ccc(NC(=O)c2ccccc2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202143 Clc1ccc(NC(=O)c2cncs2)c(CN2C(=O)c3ccccc3C2=O)c1
BDBM50202144 CCOc1cccc2C(=O)N(Cc3cc(Cl)ccc3NC(=O)c3ccccn3)C(=O)c12
BDBM50207078 Cc1cccc(NC(=O)c2cc(ccn2)-c2cc(F)cc(F)c2)n1
BDBM50207079 Cc1cccc(NC(=O)c2cc(ccn2)-c2cccc(c2)C#N)n1
BDBM50207080 Cc1cccc(NC(=O)c2ccc(cn2)-c2ccccn2)n1
BDBM50214069 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cncnc1
BDBM50214070 Cc1nc2n(ncc2c(=O)n1-c1cnccn1)-c1cnccn1
BDBM50214071 Cc1nc2n(ncc2c(=O)n1N1CCCCCC1)-c1ccccc1
BDBM50214072 Cc1nc2n(CC3CCCCC3)ncc2c(=O)n1-c1ccc(Cl)cc1
BDBM50214073 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccc1
BDBM50214074 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccc(c1)S(N)(=O)=O
BDBM50214075 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccnc1
BDBM50214076 Cc1nc2n(ncc2c(=O)n1N1CCCCC1)-c1ccccc1
BDBM50214078 Cc1nc2n(ncc2c(=O)n1-c1ccc(Br)cc1)-c1ccccc1
BDBM50214079 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1cccc(Cl)c1
BDBM50214080 Cc1nc2n(ncc2c(=O)n1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
BDBM50214081 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccn1
BDBM50214082 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)c(F)c1)-c1ccccc1
BDBM50214083 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50214084 Cc1nc2n(ncc2c(=O)n1-c1ccc(OC(F)(F)F)cc1)-c1ccccc1
BDBM50214085 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)C1CCCCCC1
BDBM50214087 Cc1nc2n(ncc2c(=O)n1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
BDBM50214088 Cc1cccc(c1)-n1ncc2c1nc(C)n(-c1ccc(Cl)cc1)c2=O
BDBM50214089 Cc1ccccc1-n1ncc2c1nc(C)n(-c1ccc(Cl)cc1)c2=O
BDBM50214090 Cc1nc2n(ncc2c(=O)n1-c1ccc(O)cc1)-c1ccccc1
BDBM50215452 Cc1cccc(c1)C#Cc1nncc(C)n1
BDBM50215453 Cc1ccc(C)c(c1)C#Cc1nncc(C)n1
BDBM50215454 Cc1cnnc(n1)C#Cc1cccc2ccccc12
BDBM50215455 Cc1cnnc(n1)C#Cc1ccccc1
BDBM50215456 Cc1cnnc(n1)C#Cc1cccc(F)c1
BDBM50215457 Cc1cnnc(n1)C#Cc1cccc(c1)C#N
BDBM50215458 Cc1cnnc(n1)C#Cc1ccc(cc1)-c1ccccc1
BDBM50215459 Cc1cnnc(n1)C#Cc1ccc(F)c(C)c1
BDBM50215460 Cc1cnnc(n1)C#Cc1ccc(Oc2ccccc2)cc1
BDBM50215448 Cc1cnnc(n1)C#Cc1cccc(Cl)c1
BDBM50215449 Cc1cnnc(n1)C#Cc1cccc(c1)C(F)(F)F
BDBM50215450 COc1cccc(c1)C#Cc1nncc(C)n1
BDBM50215451 Cc1cnnc(n1)C#Cc1cccc(Br)c1
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
BDBM50224390 Cc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
BDBM50224391 Clc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
BDBM50224392 C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
BDBM50224395 Cc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
BDBM50224396 C[C@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
BDBM50224397 COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50224398 COc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
BDBM50224400 C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(C)cc4)c3=O)c21
BDBM50224405 COc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
BDBM50224406 C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
BDBM50224407 COc1ccc(cc1)-n1cnc2c(sc3ncc4O[C@H](C)CNc4c23)c1=O
BDBM50224409 C[C@@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
BDBM50231741 O=C1CCCc2nc(ccc12)C#Cc1ccccc1
BDBM50231747 O[C@@H]1CCCc2nc(ccc12)C#Cc1ccccc1
BDBM50231755 CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1
BDBM50231759 O[C@H]1CCCc2nc(ccc12)C#Cc1ccccc1
BDBM50231719 OC1CCCc2nc(ccc12)C#Cc1ccccc1 |w:1.0|
BDBM50258611 Cc1nc(cs1)C#Cc1cc(F)cc(c1)-c1cccnc1
BDBM50258612 Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50258613 Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
BDBM50258614 Cc1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)n1
BDBM50258615 Cc1cccc(NC(=O)c2ccc(cc2)-c2cccc(c2)C#N)n1
BDBM50258616 Cc1cccc(NC(=O)c2ccc(cc2)-c2cccc(Cl)c2)n1
BDBM50258665 Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(c2)C#N)n1
BDBM50258331 Cc1cccc(NC(=O)c2ccc(-c3cccc(F)c3)c(c2)C#N)n1
BDBM50258370 Cc1cccc(NC(=O)c2ccc(cc2)C#N)n1
BDBM50258371 Cc1cccc(NC(=O)c2ccc(Br)cc2)n1
BDBM50258372 Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1
BDBM50258373 Cc1cccc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)n1
BDBM50243165 Cc1ccc(cc1)C#Cc1cncnc1
BDBM50258617 Cc1cccc(NC(=O)c2cc(F)cc(F)c2)n1
BDBM50258618 Cc1cccc(NC(=O)c2ccc(F)c(F)c2)n1
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|
BDBM50254391 N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
BDBM50254392 N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
BDBM50254337 N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
BDBM50243108 c1ccc(cc1)C#Cc1cncnc1
BDBM50243109 Cc1cccc(c1)C#Cc1cncnc1
BDBM50278288 OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
BDBM50278924 CNc1ncc(cn1)C#Cc1ccccc1
BDBM50275235 Clc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50293641 NC(=O)c1ccc(nc1)C#Cc1ccccc1
BDBM50293642 CC(C)CCNC(=O)c1ccc(nc1)C#Cc1ccccc1
BDBM50293643 O=C(NC1CCCC1)c1ccc(nc1)C#Cc1ccccc1
BDBM50293644 O=C(NC1CCCCC1)c1ccc(nc1)C#Cc1ccccc1
BDBM50293645 CC1CCC(CC1)NC(=O)c1ccc(nc1)C#Cc1ccccc1 |(8.96,-22.26,;7.42,-22.25,;6.64,-23.59,;5.11,-23.58,;4.35,-22.25,;5.1,-20.91,;6.65,-20.92,;2.81,-22.25,;2.03,-20.92,;2.8,-19.58,;.49,-20.92,;-.28,-19.58,;-1.82,-19.59,;-2.58,-20.91,;-1.82,-22.25,;-.28,-22.25,;-4.12,-20.91,;-5.66,-20.92,;-7.2,-20.96,;-8.01,-19.65,;-9.54,-19.69,;-10.28,-21.05,;-9.48,-22.36,;-7.94,-22.33,)|
BDBM50293646 O=C(NCc1ccco1)c1ccc(nc1)C#Cc1ccccc1
BDBM50293647 O=C(NCc1ccsc1)c1ccc(cc1)C#Cc1ccccc1
BDBM50293648 O=C(NCc1ccsc1)c1ccc(nc1)C#Cc1ccccc1
BDBM50293649 O=C(N1CCCCC1)c1ccc(nc1)C#Cc1ccccc1
BDBM50293650 CC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
BDBM50293651 CC1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1ccccc1
BDBM50293652 CN1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
BDBM50293653 CN1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1ccccc1
BDBM50293654 O=C(N1CCOCC1)c1ccc(nc1)C#Cc1ccccc1
BDBM50293655 O=C(N1CCSCC1)c1ccc(nc1)C#Cc1ccccc1
BDBM50293656 C1CN(CCO1)C(N1CCOCC1)c1ccc(cc1)C#Cc1ccccc1
BDBM50273940 CC(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1F |c:9|
BDBM50273941 CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9|
BDBM50273942 CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
BDBM50273828 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1 |c:10|
BDBM50273829 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
BDBM50273830 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccc(F)c1 |c:10|
BDBM50273863 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccc(F)cc1 |c:10|
BDBM50273864 Cc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:14|
BDBM50273865 COc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
BDBM50273866 CC(C)(C)NC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
BDBM50273867 CC(C)(C)CC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
BDBM50273895 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccn1 |c:10|
BDBM50273896 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1 |c:10|
BDBM50273897 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccncc1 |c:10|
BDBM50273898 CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ncccc1F |c:10|
BDBM50273899 Cc1c(nnn1-c1ncccc1F)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
BDBM50290679 Cc1cc(C(O)=O)c(O)cc1C(N)C(O)=O
BDBM50288204 OC(=O)C[C@H]1CN[C@@H]1C(O)=O
BDBM50305017 Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
BDBM50305018 Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCC2)cc1
BDBM50305019 Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCCC2)cc1
BDBM50305020 Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCCCC2)cc1
BDBM50305021 CCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
BDBM50305022 CC1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
BDBM50305023 CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
BDBM50305024 CC1CCN(CC1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
BDBM50305025 Clc1ccc(Nc2ccc(cn2)C(=O)NC2CCCCC2)cc1
BDBM50305026 O=C(N1CCCCC1)c1ccc(Nc2ccccc2)nc1
BDBM50305027 O=C(N1CCCCC1)c1ccc(NC2CCCCC2)nc1
BDBM50305028 Clc1ccccc1Nc1ccc(cn1)C(=O)N1CCCCC1
BDBM50305029 Clc1cccc(Nc2ccc(cn2)C(=O)N2CCCCC2)c1
BDBM50305030 Fc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
BDBM50305031 Cc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
BDBM50305032 COc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
BDBM50305033 Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1Cl
BDBM50305034 Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)nc1
BDBM50305035 Cc1cccc(Nc2ccc(cn2)C(=O)N2CCCCC2)n1
BDBM50305036 Cc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cn1
BDBM50305037 CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)cc1
BDBM50305038 CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
BDBM50305039 COc1cc(cnc1Nc1ccc(Cl)cc1)C(=O)N1CCCCC1
BDBM50305040 CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nn1
BDBM50305041 CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(Cl)cc2)nc1
BDBM50305042 Clc1ccc(Nc2cnc(cn2)C(=O)N2CCCCC2)cc1
BDBM50305043 CC1CCCN(C1)C(=O)c1cc(Nc2ccc(Cl)cc2)[nH]n1
BDBM50305044 Cc1ccc(Nc2ncc(cc2Cl)C(=O)N2CCCCC2)cn1
BDBM50305045 CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50305046 CCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50305047 CCCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50305048 CC[C@@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50305049 CC[C@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50305050 C[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50305051 C[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50305052 CCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50305053 CCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50305054 CCCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50305055 CC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50305056 CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50305057 CN(c1ccc(Cl)cc1)c1ccc(cn1)C(=O)N1CCCCC1
BDBM50305058 CC1CCCN(C1)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1
BDBM50301821 CCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
BDBM50301822 CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
BDBM50301823 CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
BDBM50301824 Cc1c(nnn1-c1cccnc1F)-c1ccc2C(=O)N(Cc2c1)C1CC1
BDBM50299472 COC(=O)c1c(N)sc(c1C)-c1ccccc1
BDBM50312096 COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
BDBM50301520 CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50301535 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cncnc1
BDBM50301541 CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cc(N)ncn1
BDBM50301542 CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50301543 CCNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50301544 CC(C)N(C)c1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
BDBM50316003 Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=O)nc(N)c23)c1=O
BDBM50316004 Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=S)nc(N)c23)c1=O
BDBM50316005 Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
BDBM50316006 CNc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(C)cc2)c1=O
BDBM50316007 Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)-n2cccc2)c1=O
BDBM50316008 Cc1ccc(cc1)-n1cnc2c3c(N)nc(C)nc3sc2c1=O
BDBM50316009 Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)C(F)(F)F)c1=O
BDBM50316010 Cc1ccc(cc1)-n1cnc2c(sc3nc(nc(N)c23)C2CC2)c1=O
BDBM50316011 Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccccc2)c1=O
BDBM50316012 COc1ccc(cc1)-n1cnc2c(sc3nc(C)nc(N)c23)c1=O
BDBM50316013 Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(F)cc2)c1=O
BDBM50316014 Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O
BDBM50327682 N#Cc1cccnc1N1CCc2oc(nc2C1)-c1ccccc1
BDBM50327683 N#Cc1cccnc1N1CCc2oc(nc2C1)-c1ccccn1
BDBM50327684 N#Cc1cccnc1N1CCc2nc(oc2C1)-c1ccccn1
BDBM50327685 C1Cc2oc(nc2CN1c1ccccc1)-c1ccccn1
BDBM50327686 N#Cc1cccc(c1)N1CCc2oc(nc2C1)-c1ccccn1
BDBM50327687 N#Cc1cccc(c1)N1CCc2nc(oc2C1)-c1ccccn1
BDBM50327688 Fc1cc(cc(c1)N1CCc2oc(nc2C1)-c1ccccn1)C#N
BDBM50327689 Fc1cc(cc(c1)N1CCc2nc(oc2C1)-c1ccccn1)C#N
BDBM50327690 O=C(N1CCc2nc(oc2C1)-c1ccccn1)c1cccc(c1)C#N
BDBM50327691 Fc1cc(cc(c1)N1CCn2cc(nc2C1)-c1ccccn1)C#N
BDBM50327692 Fc1cc(cc(c1)N1CCn2nc(nc2C1)-c1ccccn1)C#N
BDBM50327693 N#Cc1cccc(c1)N1CC2OC(=NC2C1)c1ccccn1 |c:13|
BDBM50327694 N#Cc1cccc(c1)N1CCCc2oc(nc2C1)-c1ccccn1
BDBM50327695 Fc1cc(cc(c1)N1CCCc2oc(nc2C1)-c1ccccn1)C#N
BDBM50323546 Nc1nccc(\C=C\c2ccccc2)n1
BDBM50337503 O=C1NCCc2cc(ccc12)C#Cc1ccccc1
BDBM50337504 O=c1[nH]ccc2cc(ccc12)C#Cc1ccccc1
BDBM50337505 CN(C)c1ncc(cn1)C#Cc1ccccc1
BDBM50337943 Fc1cccc(c1)C#Cc1ccc2C(=O)NCCc2n1
BDBM50337950 Fc1cccc(c1)C#Cc1ccc2C(=O)NC(=O)c2c1
BDBM50337952 Fc1ccc(cc1)C#Cc1ccc2C(=O)NC(=O)c2c1
BDBM50337506 CN(C)c1ncc(\C=C\c2ccccc2)cn1
BDBM50337507 CN(C)c1ccc(nn1)C#Cc1ccccc1
BDBM50337508 C1Cc2cc(cnc2N1)C#Cc1ccccc1
BDBM50337953 Fc1ccccc1C#Cc1ccc2C(=O)NC(=O)c2c1
BDBM50337954 Fc1ccccc1C#Cc1ccc2C(=O)NCc2c1
BDBM50337955 Fc1cccc(c1)C#Cc1ccc2C(=O)NCc2c1
BDBM50337509 CN1CCc2cc(cnc12)C#Cc1ccccc1
BDBM50337510 Cn1cnc2cc(ccc12)C#Cc1ccccc1
BDBM50337511 Cn1cnc2cc(cnc12)C#Cc1ccccc1
BDBM50337956 Fc1ccc(cc1)C#Cc1ccc2C(=O)NCc2c1
BDBM50337961 CN1CCc2cc(ccc2C1=O)C#Cc1ccccc1
BDBM50337969 Cc1ccccc1C#Cc1ccc2C(=O)NCCc2c1
BDBM50337512 Cn1cnc2cc(OC(=O)c3ccccc3)cnc12
BDBM50337513 CC(C)c1cc(on1)C#Cc1ccccc1
BDBM50337514 CN1CCOc2cc(cnc12)C#Cc1ccccc1
BDBM50337970 Cc1cccc(c1)C#Cc1ccc2C(=O)NCCc2c1
BDBM50337971 Fc1ccc(cc1)C#Cc1ccc2C(=O)NCCc2c1
BDBM50337972 Fc1ccccc1C#Cc1ccc2C(=O)NCCc2c1
BDBM50337515 CN1CCOc2nc(ccc12)C#Cc1ccccc1
BDBM50337516 C1COc2cc(cnc2N1)C#Cc1ccccc1
BDBM50337517 C1COc2nc(ccc2N1)C#Cc1ccccc1
BDBM50337520 Clc1cccc(COc2ccc3C(=O)CCOc3c2)c1
BDBM50337521 Fc1cccc(COc2ccc3C(=O)CCOc3c2)c1
BDBM50337523 Cc1cccc(COc2ccc3C(=O)CCOc3c2)c1
BDBM50337524 Fc1ccc(COc2ccc3C(=O)CCOc3c2)cc1
BDBM50337525 O=C1CCOc2cc(COc3ccccc3)ccc12
BDBM50337526 O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1
BDBM50337527 O=C1CCOc2nc(ccc12)C#CC1CCCC1
BDBM50337528 O=C1CCOc2nc(ccc12)C#CC1CCCCC1
BDBM50337529 O=C1CCOc2nc(C=Cc3ccccc3)ccc12 |w:8.7|
BDBM50337530 O=C1CCOc2nc(CCc3ccccc3)ccc12
BDBM50337531 O=C1CCOc2nc(OCc3ccccc3)ccc12
BDBM50337532 O=C1CCOc2nc(COc3ccccc3)ccc12
BDBM50337533 C(Oc1ccccc1)c1cnc2NCCOc2c1
BDBM50337534 CN1CCOc2cc(OC(=O)c3ccccc3)cnc12
BDBM50337535 CN1CCOc2cc(COc3ccccc3)cnc12
BDBM50337536 CCN1CCOc2cc(COc3ccccc3)cnc12
BDBM50337541 CN1CCOc2cc(\C=C\c3ccccc3)cnc12
BDBM50337542 CN1CCOc2cc(COC3CCCCC3)cnc12
BDBM50339074 O=C(N1CCN(CC1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:15.16.21:22,THB:17:16:22:23.18.19,19:18:15:21.20.22,19:20:15:23.17.18|
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|
BDBM50337494 O=C1NC(=O)c2cc(ccc12)C#Cc1ccccc1
BDBM50337495 O=C1CCOc2nc(ccc12)C#Cc1ccccc1
BDBM50337496 O=c1ccnc2cc(ccn12)C#Cc1ccccc1
BDBM50337497 O=C1CCc2cc(ccc12)C#Cc1ccccc1
BDBM50337498 Oc1coc2cc(ccc12)C#Cc1ccccc1
BDBM50337499 O=C1CCCc2cc(ccc12)C#Cc1ccccc1
BDBM50337500 O=C1CCOc2cc(ccc12)C#Cc1ccccc1
BDBM50337501 O=c1ccoc2cc(ccc12)C#Cc1ccccc1
BDBM50337502 O=C1NCc2cc(ccc12)C#Cc1ccccc1
BDBM50337939 Clc1ccccc1C#Cc1ccc2C(=O)NCCc2c1
BDBM50337940 Clc1ccc(cc1)C#Cc1ccc2C(=O)NCCc2c1
BDBM50337941 Clc1cccc(c1)C#Cc1ccc2C(=O)NCCc2c1
BDBM50331967 Fc1ccc(C2CCN(CC2)C(=S)COCc2ccncc2)c(Cl)c1
BDBM50331968 Clc1ccc(N2CCN(CCOCc3ccccc3)CC2)c(Cl)c1
BDBM50331969 Clc1ccc(N2CCN(CC2)C(=O)CCCc2ccncc2)c(Cl)c1
BDBM50331970 Clc1ccc(N2CCN(CC2)C(=O)CNCc2ccncc2)c(Cl)c1
BDBM50331971 CN(CC(=O)N1CCN(CC1)c1ccc(Cl)cc1Cl)Cc1ccncc1
BDBM50331972 Clc1ccc(N2CCN(CC2)C(=O)CSCc2ccccc2)c(Cl)c1
BDBM50331973 Clc1ccc(N2CCN(CC2)C(=O)CSc2ccccc2)c(Cl)c1
BDBM50331974 C[C@@H](OCc1ccncc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1F |r|
BDBM50331975 Fc1ccc(N2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
BDBM50331976 Fc1ccc(N2CCN(CC2)C(=O)COCc2ccccc2)c(Cl)c1
BDBM50331977 Cc1cc(Cl)ccc1N1CCN(CC1)C(=O)COCc1ccncc1
BDBM50331978 Clc1ccc(N2CCN(CC2)C(=O)COCc2ccc(s2)C#N)c(Cl)c1
BDBM50331979 Clc1ccc(N2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
BDBM50331980 Clc1ccc(N2CCN(CC2)C(=O)COCc2cscn2)c(Cl)c1
BDBM50331981 Fc1ccc(N2CCN(CC2)C(=O)COCc2ccccc2)c(F)c1
BDBM50331982 Clc1ccc(N2CCN(CC2)C(=O)COCc2ccccn2)c(Cl)c1
BDBM50331983 Clc1ccc(N2CCN(CC2)C(=O)COCc2cccs2)c(Cl)c1
BDBM50331984 Clc1ccc(cc1)N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50331985 Fc1ccc(C2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
BDBM50331986 Clc1ccc(C2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
BDBM50331987 Clc1ccnc(c1)N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50331988 Fc1cc(Cl)ccc1N1CCN(CC1)C(=O)COCc1ccncc1
BDBM50331989 Clc1ccc(cc1)C1CCN(CC1)C(=O)COCc1ccncc1
BDBM50331990 FC1(CCN(CC1)C(=O)COCc1ccncc1)c1ccc(Cl)cc1
BDBM50331991 Clc1ccc(N2CCN(CC2)C(=O)COCc2ccccc2)c(Cl)c1
BDBM50331992 Clc1ccc(N2CCN(CC2)C(=O)COCc2cccnc2)c(Cl)c1
BDBM50331993 Clc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50331994 Fc1ccc(cc1)N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50331995 Clc1ccc(N2CCN(CC2)C(=O)COCc2cncs2)c(Cl)c1
BDBM50331996 Clc1ccc(cc1)N1CCN(CC1)C(=O)COCc1ccncc1
BDBM50331997 CC1(CCN(CC1)C(=O)COCc1ccncc1)c1ccc(Cl)cc1
BDBM50331998 Clc1ccc(N2CCN(CC2)C(=O)COCc2ccncn2)c(Cl)c1
BDBM50331999 Clc1ccnc(c1)N1CCN(CC1)C(=O)COCc1ccncc1
BDBM50332000 Fc1ccc(N2CCN(CC2)C(=O)COCc2ccncc2)c(F)c1
BDBM50332001 Clc1ccc(N2CCN(CC2)C(=O)COCc2cnccn2)c(Cl)c1
BDBM50332002 FC1(CCN(CC1)C(=O)COCc1ccncc1)c1ccc(Cl)cc1Cl
BDBM50332003 Clc1cccc(c1)N1CCN(CC1)C(=O)COCc1ccccc1
BDBM50332004 O=C(COCc1ccccc1)N1CCN(CC1)c1ccccc1
BDBM50332005 Clc1ccc(N2CCN(CC2)C(=O)COCc2nccs2)c(Cl)c1
BDBM50332006 Clc1ccc(N2CCN(CC2)C(=O)COCc2ncccn2)c(Cl)c1
BDBM50332007 O=C(COCc1ccccc1)N1CCN(CC1)c1ccncc1
BDBM50331291 OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12
BDBM50337518 CC(=O)N1CCOc2nc(ccc12)C#Cc1ccccc1
BDBM50337519 CC(=O)N1CCOc2nc(OCc3ccccc3)ccc12
BDBM50337522 O=C1CCOc2cc(OCc3cccc(c3)C#N)ccc12
BDBM50337957 OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
BDBM50337958 Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1
BDBM50337959 CN1CCc2nc(ccc2C1=O)C#Cc1cccc(F)c1
BDBM50337960 Fc1cccc(c1)C#Cc1ccc2C(=O)N(CC3CC3)CCc2n1
BDBM50337962 CCCN1CCc2cc(ccc2C1=O)C#Cc1ccccc1
BDBM50337963 CCCCN1CCc2cc(ccc2C1=O)C#Cc1ccccc1
BDBM50337964 O=C1N(Cc2ccccc2)CCc2cc(ccc12)C#Cc1ccccc1
BDBM50337965 O=C1N(CC2CC2)CCc2cc(ccc12)C#Cc1ccccc1
BDBM50337537 COCCN1CCOc2cc(COc3ccccc3)cnc12
BDBM50337538 COC(=O)N1CCOc2cc(COc3ccccc3)cnc12
BDBM50337539 CS(=O)(=O)N1CCOc2cc(COc3ccccc3)cnc12
BDBM50337540 CC(=O)N1CCOc2cc(COc3ccccc3)cnc12
BDBM50337966 O=C1N(CC2CCC2)CCc2cc(ccc12)C#Cc1ccccc1
BDBM50337967 O=C1N(CCN2CCC2)CCc2cc(ccc12)C#Cc1ccccc1
BDBM50337968 O=C1N(CCN2CCOCC2)CCc2cc(ccc12)C#Cc1ccccc1
BDBM50337938 Cc1cc(ccc1F)C#Cc1ccc2C(=O)NCCc2c1
BDBM50337973 COc1ccc(cc1)C#Cc1ccc2C(=O)NCCc2c1
BDBM50337974 COc1cccc(c1)C#Cc1ccc2C(=O)NCCc2c1
BDBM50337942 Fc1ccc(C#Cc2ccc3C(=O)NCCc3c2)c(F)c1
BDBM50337944 CC(C)CN1CCc2nc(ccc2C1=O)C#Cc1cccc(F)c1
BDBM50337945 CCCCN1CCc2nc(ccc2C1=O)C#Cc1cccc(F)c1
BDBM50337946 Fc1cccc(c1)C#Cc1ccc2C(=O)N(CC3CCC3)CCc2n1
BDBM50337947 O=C1N(CCc2ccccn2)C(=O)c2cc(ccc12)C#Cc1ccccc1
BDBM50337948 O=C1N(CCc2ccncc2)C(=O)c2cc(ccc12)C#Cc1ccccc1
BDBM50337949 O=C1N(CCN2CCOCC2)C(=O)c2cc(ccc12)C#Cc1ccccc1
BDBM50337951 Fc1ccc(cc1F)C#Cc1ccc2C(=O)NC(=O)c2c1
BDBM50336915 CCCn1c(nc2c(Cl)cccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50336916 CCCn1cc(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
BDBM50336917 CCCn1c(C)c(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
BDBM50336918 CCCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50336919 Clc1ccc(Nc2ncc(cc2Cl)-c2ncc3CCCCn23)cc1
BDBM50336920 Cc1cn(C)c(n1)-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
BDBM50336921 CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50336922 CCCn1c(nc2cc(Cl)ccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50336923 CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 |r|
BDBM50336924 CCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50336925 CCn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50336926 CC(C)Cn1c(nc2ccccc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50336927 CCCn1c(nc2ccc(Cl)cc12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50336928 CCCn1c(nc2ccccc12)-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
BDBM50342428 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CC1 |r|
BDBM50342429 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CC1 |r|
BDBM50342430 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342431 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342432 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCC1 |r|
BDBM50342433 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCC1 |r|
BDBM50342434 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCCC1 |r|
BDBM50342435 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1cccs1 |r|
BDBM50342436 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 |r|
BDBM50342437 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1cccc(F)c1 |r|
BDBM50342438 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1ccc(F)cc1 |r|
BDBM50342439 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCCC1 |r|
BDBM50342440 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 |r|
BDBM50342441 Fc1cccc(c1)C(=O)N1CCCC[C@@H]1c1nc(no1)-c1cccc(F)c1 |r|
BDBM50342442 Fc1ccc(cc1)C(=O)N1CCCC[C@@H]1c1nc(no1)-c1cccc(F)c1 |r|
BDBM50342443 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)c1ccc(F)cc1F |r|
BDBM50342444 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCN1C(=O)C1CCC1 |r|
BDBM50342445 Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCN1C(=O)C1CCC1 |r|
BDBM50342446 Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CC1
BDBM50342447 Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CCCC1
BDBM50342448 Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CCCCC1
BDBM50342449 Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1cccs1
BDBM50342450 Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1ccc(F)c(F)c1
BDBM50342451 Fc1cccc(c1)C(=O)N1CCCC1c1nc(no1)-c1cccc(F)c1
BDBM50342452 Fc1ccc(cc1)C(=O)N1CCCC1c1nc(no1)-c1cccc(F)c1
BDBM50342453 Fc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1ccc(F)cc1F
BDBM50342454 O=C(C1CCC1)N1CCCC[C@H]1c1nc(no1)-c1cccs1 |r|
BDBM50342455 O=C(C1CCC1)N1CCCC[C@@H]1c1nc(no1)-c1cccs1 |r|
BDBM50342456 O=C(C1CCC1)N1CCCC[C@H]1c1nc(no1)-c1ccccn1 |r|
BDBM50342457 Clc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342458 Clc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342459 Cc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342460 COc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342461 COc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342462 Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
BDBM50342463 Clc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CCC1
BDBM50342464 Cc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)C1CCC1
BDBM50342465 Fc1ccc(cc1)-c1noc(n1)C1CCCN1C(=O)C1CCC1
BDBM50342467 O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(no1)-c1ccccn1 |r|
BDBM50342468 O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(no1)-c1cccs1 |r|
BDBM50342469 O=C(C1CCC1)N1CCC[C@H](C1)c1nc(no1)-c1ccccn1 |r|
BDBM50342470 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r|
BDBM50342471 Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
BDBM50342472 Clc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r|
BDBM50342473 Clc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
BDBM50342474 Cc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r|
BDBM50342475 Cc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
BDBM50342476 COc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1 |r|
BDBM50342477 COc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C1CCC1 |r|
BDBM50344408 Cc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
BDBM50344409 Clc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
BDBM50344410 Clc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
BDBM50344411 O=C1N(CCc2nc(ccc12)C#Cc1cccnc1)C1CCCCC1
BDBM50344412 O=C1N(CCc2nc(ccc12)C#Cc1cccs1)C1CCCCC1
BDBM50344413 O=C(NC1CCCC1)c1ccc(nc1)C#Cc1ccccn1
BDBM50344414 O=C(NC1CCCC1)c1ccc(nc1)C#Cc1cccnc1
BDBM50344415 CC(C)NC(=O)c1ccc(nc1)C#Cc1ccccc1
BDBM50344382 CN1CCc2nc(ccc2C1=O)C#Cc1ccccn1
BDBM50344383 CN1CCc2nc(ccc2C1=O)C#Cc1cccs1
BDBM50344416 CNC(=O)c1ccc(nc1)C#Cc1ccccc1
BDBM50344417 CN1CCc2nc(ccc2C1=O)C#Cc1ccccc1
BDBM50344418 CN1CCc2nc(ccc2C1=O)C#Cc1ccccc1C
BDBM50344419 CN1CCc2nc(ccc2C1=O)C#Cc1cccc(C)c1
BDBM50344420 CN1CCc2nc(ccc2C1=O)C#Cc1ccc(C)cc1
BDBM50344421 CN1CCc2nc(ccc2C1=O)C#Cc1ccccc1Cl
BDBM50344422 CN1CCc2nc(ccc2C1=O)C#Cc1cccnc1
BDBM50344423 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccnc1
BDBM50344424 Cc1ccc(cc1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
BDBM50344425 Clc1ccc(cc1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
BDBM50344426 COc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
BDBM50343299 Cn1c(CN2CCC(CC2)c2ccccc2F)nc2ccccc12
BDBM50344379 CN1CCc2nc(ccc2C1=O)C#Cc1cccc(Cl)c1
BDBM50344380 CN1CCc2nc(ccc2C1=O)C#Cc1ccc(Cl)cc1
BDBM50344381 COc1cccc(c1)C#Cc1ccc2C(=O)N(C)CCc2n1
BDBM50344384 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccc1
BDBM50344385 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccc1C
BDBM50344386 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccc(C)c1
BDBM50344387 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccc1Cl
BDBM50344388 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccc(Cl)c1
BDBM50344389 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccc(Cl)cc1
BDBM50344390 COc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C(C)C
BDBM50344391 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccn1
BDBM50344392 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1cccs1
BDBM50344393 O=C1N(CCc2nc(ccc12)C#Cc1ccccn1)C1CCCC1
BDBM50344394 O=C1N(CCc2nc(ccc12)C#Cc1ccccn1)C1CCCCC1
BDBM50344395 CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccc(C)cc1
BDBM50344396 O=C1N(CCc2nc(ccc12)C#Cc1ccccc1)C1CCCC1
BDBM50344397 Cc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
BDBM50344398 Cc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
BDBM50344399 Cc1ccc(cc1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
BDBM50344400 Clc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
BDBM50344401 Clc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
BDBM50344402 Clc1ccc(cc1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
BDBM50344403 COc1cccc(c1)C#Cc1ccc2C(=O)N(CCc2n1)C1CCCC1
BDBM50344404 O=C1N(CCc2nc(ccc12)C#Cc1cccnc1)C1CCCC1
BDBM50344405 O=C1N(CCc2nc(ccc12)C#Cc1cccs1)C1CCCC1
BDBM50344406 O=C1N(CCc2nc(ccc12)C#Cc1ccccc1)C1CCCCC1
BDBM50344407 Cc1ccccc1C#Cc1ccc2C(=O)N(CCc2n1)C1CCCCC1
BDBM50346082 Cc1cc(=O)[nH]c2oc(C(=O)c3ccc(F)cc3)c(N)c12
BDBM50346083 Cc1cc(c2c(N)c(oc2n1)C(=O)c1ccc(F)cc1)C(F)(F)F
BDBM50346084 Cc1cc(C)c2c(N)c(oc2n1)C(=O)c1ccc(F)cc1F
BDBM50346086 COc1ccccc1N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:14:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50346087 Clc1ccccc1N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21|
BDBM50346071 O=C(N1CCN(CC1)c1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
BDBM50346072 O=C(N1CCN(CC1)c1ccncc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
BDBM50345918 Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345919 Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345920 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345921 Brc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345922 COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345923 Fc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345924 COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
BDBM50345925 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2OCCOc2c1
BDBM50345926 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2OCOc2c1
BDBM50345927 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2scnc2c1
BDBM50345928 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2ncsc2c1
BDBM50345929 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2occc2c1
BDBM50345930 O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2sccc2c1
BDBM50345931 COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345932 Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345933 Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345934 Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345935 COc1cc(ccc1F)-n1cnc2c3c(NCC=C)ccnc3sc2c1=O
BDBM50345936 Fc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
BDBM50345937 CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50345938 COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC=C)c23)c1=O
BDBM50345939 CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50345940 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50345941 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50345942 COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
BDBM50345943 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50345944 COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
BDBM50345945 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
BDBM50345946 CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCOc5c4)c3=O)c12
BDBM50345947 Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345948 Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345949 COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345950 Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345951 COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
BDBM50345952 CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50345953 COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC#C)c23)c1=O
BDBM50345954 CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50345955 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50345956 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50345957 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
BDBM50345958 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
BDBM50345959 COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
BDBM50345960 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccccc4)c3=O)c12
BDBM50345961 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccncc4)c3=O)c12
BDBM50345962 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
BDBM50345963 CC(=C)CNc1ncnc2sc3c(ncn(-c4cccc(Cl)c4)c3=O)c12
BDBM50345964 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5scnc5c4)c3=O)c12
BDBM50345965 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5ncsc5c4)c3=O)c12
BDBM50345966 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5sccc5c4)c3=O)c12
BDBM50345967 CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
BDBM50346073 O=C(C1CCC1)N1CCCC2(CCCCC2)C1
BDBM50346074 O=C(N1CCCC2(CCCCC2)C1)c1ccco1
BDBM50346075 O=C(N1CCCC2(CCCCC2)C1)c1cccs1
BDBM50346076 O=C(N1CCCC2(CCCCC2)C1)c1cnc2ccccc2n1
BDBM50346077 O=C(CSc1ccccc1)N1CCCC2(CCCCC2)C1
BDBM50346078 O=C(N1CCN(CC1)c1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 |TLB:1:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50346079 Cc1cc(C)c2c(N)c(oc2n1)C(=O)c1ccc(F)cc1
BDBM50346080 COCc1c(Cl)c(C)nc2oc(C(=O)c3ccc(F)cc3)c(N)c12
BDBM50353290 C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1
BDBM50353291 C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
BDBM50353292 C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12
BDBM50346065 O=C(N1CCCC2(CCCCC2)C1)c1cccnc1
BDBM50346066 Cc1ccc(cc1)C(=O)N1CCCC2(CCCCC2)C1
BDBM50346067 O=C(Cc1cccs1)N1CCCC2(CCCCC2)C1
BDBM50346068 O=C(C1CCCCC1)N1CCCC2(CCCCC2)C1
BDBM50346069 O=C(C1CCCC1)N1CCCC2(CCCCC2)C1
BDBM50346070 O=C(C1CC1)N1CCCC2(CCCCC2)C1
BDBM50346081 Nc1c(oc2ncc(Br)cc12)C(=O)c1ccc(F)cc1
BDBM50346085 Cc1cc(C)c2c(N)c(oc2n1)C(=O)c1ccccc1
BDBM50349538 Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)C1CCC1
BDBM50349539 Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cnccn1
BDBM50349540 Cc1cc(no1)C(=O)N1CCCC1c1ccc(nc1)-c1cccc(Cl)c1
BDBM50349541 Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cncs1
BDBM50349542 Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cccs1
BDBM50349543 Cc1cc(ncc1[C@H]1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1 |r|
BDBM50349544 Cc1cc(ncc1C1CC(F)CN1C(=O)c1cnccn1)-c1cccc(Cl)c1
BDBM50349545 Cc1cc(ncc1C1CC(F)CN1C(=O)C1CCC1)-c1cccc(Cl)c1
BDBM50349546 Cc1cc(ncc1C1CC(F)CN1C(=O)c1cncs1)-c1cccc(Cl)c1
BDBM50349547 Cc1cc(ncc1C1CC(O)CN1C(=O)c1cnccn1)-c1cccc(Cl)c1
BDBM50349548 Cc1cc(ncc1C1CC(O)CN1C(=O)C1CCC1)-c1cccc(Cl)c1
BDBM50349549 Cc1cc(ncc1C1CC(O)CN1C(=O)c1nccs1)-c1cccc(Cl)c1
BDBM50349550 Cc1cc(ccn1)-c1cc(C)c(cn1)C1CCCN1C(=O)c1cnccn1
BDBM50349551 Cc1cc(ccn1)-c1cc(C)c(cn1)C1CCCN1C(=O)c1cncs1
BDBM50349552 Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cc(F)cc(Cl)c1
BDBM50349553 Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cc(F)cc(Cl)c1
BDBM50349554 Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cc(F)cc(F)c1
BDBM50349555 Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cc(F)cc(F)c1
BDBM50349556 Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cccc(F)c1
BDBM50349557 Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cccc(F)c1
BDBM50349558 CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1
BDBM50349559 COc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1
BDBM50349560 COc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cccc(Cl)c1
BDBM50349561 CN1CC(CC1=O)C(=O)N1CCCC1c1cnc(cc1C)-c1cccc(Cl)c1
BDBM50349562 Cc1cc(ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1)-c1cccc(Cl)c1
BDBM50349563 Cc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1
BDBM50349564 Cc1cc(ncc1C1CCCN1C(=O)c1ccncc1)-c1cccc(Cl)c1
BDBM50349565 Cc1cc(ncc1C1CCCN1C(=O)c1cccnc1)-c1cccc(Cl)c1
BDBM50349566 Cc1cc(ncc1C1CCCN1C(=O)c1ccccn1)-c1cccc(Cl)c1
BDBM50349567 Cc1cc(ncc1C1CCCN1C(=O)c1cncnc1)-c1cccc(Cl)c1
BDBM50349568 Cc1cc(ncc1C1CCCN1C(=O)c1ccncn1)-c1cccc(Cl)c1
BDBM50349569 Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cccc(Cl)c1
BDBM50349570 Cc1cc(no1)C(=O)N1CCCC1c1cnc(cc1C)-c1cccc(Cl)c1
BDBM50349571 Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cccc(Cl)c1
BDBM50349572 Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1nccs1
BDBM50349573 Oc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1
BDBM50364719 COc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50364720 CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
BDBM50364721 CN(C)c1ccnc2sc3c(ccn(-c4ccc(F)cc4)c3=O)c12
BDBM50364722 CN(C)c1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
BDBM50364723 CN(C)c1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
BDBM50364724 CN(C)c1ccnc2sc3c(ccn(-c4ccc(cc4)C#N)c3=O)c12
BDBM50364725 CCc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50364726 CN(C)c1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
BDBM50364727 COc1ccc(cc1F)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50364728 COc1ccc(c(F)c1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
BDBM50364729 CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
BDBM50364730 CN(C)c1ccnc2sc3c(ccn(-c4ccc5ncsc5c4)c3=O)c12
BDBM50382390 FC(F)(F)c1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:13|
BDBM50382391 Clc1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:10|
BDBM50382392 Brc1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:10|
BDBM50382393 Fc1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:10|
BDBM50382394 Cc1cccc(NC(=O)NC2=NC(=O)CCN2)c1 |t:10|
BDBM50382395 O=C(NC1=NC(=O)CCN1)Nc1cccc(c1)C#N |t:3|
BDBM50382396 CN1CCC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:6|
BDBM50382397 CN1CCC(=O)N=C1NC(=O)Nc1cccc(Br)c1 |c:6|
BDBM50382398 CN1CCC(=O)N=C1NC(=O)Nc1cccc(F)c1 |c:6|
BDBM50382399 CN1CCC(=O)N=C1NC(=O)Nc1cccc(C)c1 |c:6|
BDBM50382400 CN1CCC(=O)N=C1NC(=O)Nc1cccc(c1)C(F)(F)F |c:6|
BDBM50382401 CN1CCC(=O)N=C1NC(=O)Nc1cccc(c1)C#N |c:6|
BDBM50382402 CCN1CCC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:7|
BDBM50382403 CN1CCC(=O)N=C1NC(=S)Nc1cccc(Cl)c1 |c:6|
BDBM50382404 Cn1ccc(=O)nc1NC(=O)Nc1cccc(Cl)c1
BDBM50366533 N[C@@]1(C[C@@H](N(C1)C(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O |r|
BDBM50366853 COCc1cncc(c1)C#Cc1csc(C)n1
BDBM50366854 COc1cncc(c1)C#Cc1ccccn1
BDBM50379862 COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
BDBM50379860 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(F)cc1 |r|
BDBM50379861 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)cc1 |r|
BDBM50379864 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccccc1 |r|
BDBM50379865 CCOc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
BDBM50379866 COc1ccc(cc1F)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
BDBM50379867 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Br)cc1 |r|
BDBM50379868 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)c(Cl)c1 |r|
BDBM50379869 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(cc1)C(C)(F)F |r|
BDBM50379870 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(O)cc1 |r|
BDBM292146 Fc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292147 C(Oc1ccccc1)c1cn2cc(cnc2n1)-c1ccccc1
BDBM292148 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292149 COc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292150 Cc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292151 Cc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292152 Fc1cccc(c1F)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292154 Nc1cccc(c1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292155 Nc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM50390028 Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
BDBM50390029 Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390030 Cc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390031 COc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390032 Clc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390033 Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390034 Clc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390035 COc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390036 Cc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390037 Clc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccccc1Cl
BDBM50390038 Fc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390039 COc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390040 Clc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
BDBM50390041 Cc1ccc(cc1C)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390042 Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1ccccc1
BDBM50390043 Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(F)c1
BDBM50390044 COc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
BDBM50390045 Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(c1)C(F)(F)F
BDBM50390046 Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1ccccn1
BDBM50390047 Cc1cccc(n1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
BDBM50390048 Fc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
BDBM50390049 Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
BDBM50390050 Fc1ccc(cc1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
BDBM50390051 Cc1cccc(n1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
BDBM50390052 Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(F)c1
BDBM50390053 Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(C)c1
BDBM50390054 Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(c1)C(F)(F)F
BDBM50390055 Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1ccccc1
BDBM50390056 O=C1CC(CN1c1ccccc1)c1nc(no1)-c1ccccc1
BDBM50390057 Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(C)c(Cl)c1
BDBM50390058 Fc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
BDBM50390059 Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
BDBM50390060 Fc1ccc(cc1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
BDBM50390061 Clc1ccc(cc1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)c(Cl)c1
BDBM50390062 Clc1cccc(c1)-c1noc(Cn2c3ccccc3sc2=O)n1
BDBM50390063 Clc1cccc(c1)-c1noc(Cn2c3ccccc3oc2=O)n1
BDBM50390064 Clc1cccc(c1)-c1noc(CN2C(=O)COc3ccccc23)n1
BDBM50390065 Clc1cccc(c1)-c1noc(CCN2C(=O)COc3ccccc23)n1
BDBM50390066 Clc1cccc(c1)-c1noc(CCN2C(=O)CCc3ccc(Cl)cc23)n1
BDBM50390067 Fc1ccc(CN2CC(CC2=O)c2nc(no2)-c2cccc(Cl)c2)cc1
BDBM50390068 C[C@@H](N1C[C@@H](CC1=O)c1nc(no1)-c1cccc(Cl)c1)c1ccccc1 |r|
BDBM50390069 CC(C)CN1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
BDBM50390070 COc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(Cl)cc1
BDBM50388941 O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1 |r|
BDBM50392320 O=C(Nc1ccccn1)c1nccc2cc[nH]c12
BDBM50392321 Cc1cc2cc[nH]c2c(n1)C(=O)Nc1ccccn1
BDBM50392322 Cc1cccc(NC(=O)c2nccc3cc[nH]c23)n1
BDBM50392323 Cc1cccc(NC(=O)c2nc(C)cc3cc[nH]c23)n1
BDBM50392324 Cc1csc(NC(=O)c2nc(C)cc3cc[nH]c23)n1
BDBM50392325 Cc1cc2cc[nH]c2c(n1)C(=O)Nc1ccn(C)n1
BDBM50392326 Cc1cnc(NC(=O)c2nc(C)cc3cc[nH]c23)[nH]1
BDBM50392327 Cc1cccc(NC(=O)c2nc(C)cc3cc([nH]c23)-c2cccnc2)n1
BDBM50392328 Cc1cccc(NC(=O)c2nc(C)c(C)c3cc[nH]c23)n1
BDBM50392329 CC(=O)c1c(C)nc(C(=O)Nc2cccc(C)n2)c2[nH]ccc12
BDBM50392330 Cc1cccc(NC(=O)c2nc(C)c(-c3ccccn3)c3cc[nH]c23)n1
BDBM50392331 Cc1cccc(NC(=O)c2nccc3c(c[nH]c23)-c2ccccn2)n1
BDBM50392332 Cc1cccc(NC(=O)c2nc(C)cc3c(c[nH]c23)-c2ccccn2)n1
BDBM50392333 Cc1cc2c(c[nH]c2c(n1)C(=O)Nc1ccn(C)n1)-c1ccccn1
BDBM50392334 Cc1cnc(NC(=O)c2nc(C)cc3c(c[nH]c23)-c2ccccn2)[nH]1
BDBM50392335 CCn1ccnc1-c1c[nH]c2c(nc(C)cc12)C(=O)Nc1ccn(C)n1
BDBM50392336 Fc1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392337 Fc1cccc(c1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392338 Fc1ccccc1C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392339 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(F)cc1
BDBM50392340 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1cccc(F)c1
BDBM50392341 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccccc1F
BDBM50392342 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(Cl)cc1
BDBM50392343 Fc1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1
BDBM50392344 Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(Cl)cc1
BDBM50392345 Cc1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1
BDBM50392346 Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(F)c(F)c1
BDBM50392347 Cc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392348 Clc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392349 Fc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392350 Cc1cccc(c1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392351 Cc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1
BDBM50392352 Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1ccc(Cl)cc1
BDBM50392353 Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1ccc(F)cc1
BDBM50392354 Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1cccc(C)c1
BDBM50392355 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCCC1
BDBM50392356 CC1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1 |(7.94,-3.35,;7.18,-2.01,;5.63,-1.99,;4.87,-.66,;5.66,.68,;7.19,.67,;7.96,-.67,;4.89,2.02,;5.67,3.35,;3.35,2.02,;2.26,.93,;1.18,2.03,;2.27,3.11,;-.36,2.04,;-1.25,.78,;-2.72,1.24,;-2.74,2.78,;-1.28,3.27,;-3.96,.32,;-3.95,-1.23,;-5.29,-2,;-6.62,-1.23,;-6.62,.31,;-7.96,1.08,;-5.29,1.08,)|
BDBM50392357 CC1CCCC(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1
BDBM50392358 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(CC1)C(F)(F)F |(-8.72,1.75,;-7.38,.98,;-7.38,-.57,;-6.05,-1.34,;-4.71,-.57,;-4.72,.98,;-6.05,1.75,;-3.48,1.9,;-3.5,3.44,;-2.04,3.94,;-1.12,2.7,;-2.01,1.44,;.42,2.7,;1.5,1.6,;2.59,2.68,;1.51,3.78,;4.13,2.68,;4.91,4.01,;4.9,1.34,;4.11,0,;4.87,-1.33,;6.41,-1.34,;7.2,-.01,;6.43,1.34,;7.18,-2.68,;6.4,-4.01,;8.72,-2.69,;7.94,-4.01,)|
BDBM50392359 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCC1
BDBM50392360 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC1
BDBM50392361 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCOC1
BDBM50392362 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCO1
BDBM50392363 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCOCC1
BDBM50392364 Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(F)(F)CC1
BDBM50392365 Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCCC1
BDBM50392366 Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC1
BDBM50392367 Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCO1
BDBM50392368 FC1(F)CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392369 CC1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1 |(7.93,-3.35,;7.17,-2.01,;5.63,-2,;4.87,-.66,;5.66,.68,;7.19,.67,;7.96,-.68,;4.89,2.01,;5.67,3.35,;3.35,2.02,;2.26,.93,;1.18,2.03,;2.27,3.11,;-.36,2.04,;-1.25,.78,;-2.72,1.23,;-2.74,2.77,;-1.28,3.27,;-3.96,.32,;-3.95,-1.23,;-5.29,-2,;-6.62,-1.23,;-6.62,.31,;-7.96,1.08,;-5.29,1.08,)|
BDBM50392370 CC1CCCC(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392371 FC(F)(F)C1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1 |(6.39,-4.01,;7.17,-2.68,;8.71,-2.69,;7.93,-4.01,;6.41,-1.34,;4.87,-1.33,;4.11,0,;4.9,1.34,;6.43,1.33,;7.2,-.01,;4.13,2.68,;4.91,4.01,;2.6,2.68,;1.5,1.6,;.42,2.7,;1.51,3.78,;-1.12,2.7,;-2.01,1.44,;-3.48,1.9,;-3.5,3.44,;-2.04,3.93,;-4.72,.98,;-4.71,-.57,;-6.05,-1.34,;-7.38,-.57,;-7.38,.98,;-8.71,1.75,;-6.05,1.75,)|
BDBM50392372 Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC2(CCC2)CC1
BDBM50392373 Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCCC1
BDBM50392374 CC1CCCCC1C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1
BDBM50392375 Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(F)(F)CC1
BDBM50392376 CC1CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1 |(7.94,-3.35,;7.18,-2.01,;5.63,-1.99,;4.87,-.66,;5.66,.68,;7.19,.67,;7.95,-.67,;4.89,2.02,;5.67,3.35,;3.35,2.02,;2.26,.93,;1.18,2.03,;2.27,3.11,;-.36,2.04,;-1.25,.78,;-2.72,1.24,;-2.74,2.78,;-1.28,3.27,;-3.96,.32,;-3.95,-1.23,;-5.29,-2,;-6.62,-1.23,;-6.62,.31,;-7.95,1.08,;-5.29,1.08,)|
BDBM50392377 Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC(CC1)C(F)(F)F |(-8.72,1.75,;-7.38,.98,;-7.38,-.57,;-6.05,-1.34,;-4.71,-.57,;-4.72,.98,;-6.05,1.75,;-3.48,1.9,;-3.5,3.44,;-2.04,3.94,;-1.12,2.7,;-2.01,1.44,;.42,2.7,;1.5,1.6,;2.59,2.68,;1.51,3.78,;4.13,2.68,;4.9,4.01,;4.9,1.34,;4.11,0,;4.87,-1.33,;6.42,-1.34,;7.19,-.01,;6.43,1.34,;7.18,-2.68,;6.4,-4.01,;8.72,-2.69,;7.93,-4.01,)|
BDBM50392378 Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)N1CCCCC1
BDBM50392379 CC1CCN(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392380 CC1CCCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392381 FC1CCN(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392382 FC1CCCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392383 COC1CCN(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392384 COC1CCCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392385 CC1CN(CC(C)O1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392386 Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)N1CCCCCC1
BDBM50392387 CC1CCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
BDBM50392388 Fc1ccc(CC(=O)N2CC[C@H]2c2nc(no2)-c2cccc(F)c2)cc1 |r|
BDBM50392389 Fc1cccc(CC(=O)N2CC[C@H]2c2nc(no2)-c2cccc(F)c2)c1 |r|
BDBM50392390 Fc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccccc1F |r|
BDBM50392391 Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccccc1F |r|
BDBM50392392 Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccc(F)c(F)c1 |r|
BDBM50392393 Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccc(cc1)C#N |r|
BDBM50392394 Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)Cc1ccc(F)cc1 |r|
BDBM50392395 O=C([C@H]1CC2CCC1C2)N1CC(C1)c1nc(no1)-c1ccccc1 |r,THB:1:2:8:5.6|
BDBM50392396 O=C([C@@H]1CC2CCC1C2)N1CC(C1)c1nc(no1)-c1ccccc1 |r,THB:1:2:8:5.6|
BDBM50392397 Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)[C@H]1CC2CCC1C2 |r,THB:16:18:24:21.22|
BDBM50392398 Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)[C@@H]1CC2CCC1C2 |r,THB:16:18:24:21.22|
BDBM50392399 Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)[C@H]1CC2CCC1C2 |r,THB:16:18:24:21.22|
BDBM50392400 Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)[C@@H]1CC2CCC1C2 |r,THB:16:18:24:21.22|
BDBM50392432 C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
BDBM50392433 C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)cc1)C(C)(C)C |r|
BDBM50395930 FC(F)(F)Oc1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM50395926 Fc1cc(F)cc(c1)-c1nc(no1)-c1ccccn1
BDBM50395927 NC(=O)c1ccccc1-c1nc(no1)-c1ccccn1
BDBM50395928 Fc1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM50395929 Brc1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM50395931 Cc1cccc(c1)-c1nc(no1)-c1ccccn1
BDBM50395932 Clc1ccc(-c2nc(no2)-c2ccccn2)c(Cl)c1
BDBM50395933 Clc1cccc(-c2nc(no2)-c2ccccn2)c1Cl
BDBM50395934 Clc1ccc(cc1)-c1nc(no1)-c1ccccn1
BDBM50395935 Clc1ccccc1-c1nc(no1)-c1ccccn1
BDBM50395936 Clc1cc(Cl)cc(c1)-c1nc(no1)-c1ccccn1
BDBM50395938 Fc1cc(cc(c1)-c1nc(no1)-c1cnccn1)C#N
BDBM50395939 Fc1cc(cc(c1)-c1nc(no1)-c1ncccn1)C#N
BDBM50395940 Fc1cc(cc(c1)-c1ccc(o1)-c1ccccn1)C#N
BDBM50395941 Fc1cc(cc(c1)-c1noc(n1)-c1ccccn1)C#N
BDBM50395942 Fc1cc(cc(c1)-c1nc(co1)-c1ccccn1)C#N
BDBM50395943 Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N
BDBM50396136 Cc1nc(C(=O)Nc2ccc(O)c(C)n2)c(Nc2cccnc2)s1
BDBM50396137 Cc1nc(C(=O)Nc2ccnc(C)c2)c(Nc2cncnc2)s1
BDBM50396138 Cc1nc(C(=O)Nc2cccc(CO)n2)c(Nc2cccnc2)s1
BDBM50396139 Cc1nc(C(=O)Nc2ccnc(C)c2)c(Nc2cccnc2)s1
BDBM50396140 Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncnc2)s1
BDBM50396142 Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2)s1
BDBM50396144 Cc1nc(C(=O)Nc2cccc(C)n2)c(Nc2cccnc2)s1
BDBM50395922 Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
BDBM50395923 Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
BDBM50395924 N#Cc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N
BDBM50395925 FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccccn1
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,)|
BDBM50401086 COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
BDBM50404013 COCc1cccc(c1)C#Cc1cccc(C)n1
BDBM50410444 O=C1N(C2CCCC(=C2)C#Cc2ccccn2)C(=O)c2ccccc12 |c:7|
BDBM50410445 C1CC(C=C(C1)C#Cc1ccccn1)N1CCOCC1 |c:3|
BDBM50402787 CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
BDBM50402788 CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
BDBM50402790 Fc1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM50402791 CS(=O)(=O)N(CC(=O)Nc1ccc(F)nc1)c1ccccc1Cl
BDBM50402792 CS(=O)(=O)N(CC(=O)Nc1cccnc1F)c1ccccc1Cl
BDBM50401676 COc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401677 COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401678 Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401679 Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
BDBM50401680 CCN(C)c1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
BDBM50401681 CCNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
BDBM50401682 CNc1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
BDBM50401683 COc1ccc(cn1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401684 CN(C)c1ncnc2sc3c(ncn(C4CCCCC4)c3=O)c12
BDBM50401685 CSc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50401686 CN(C)c1ncnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
BDBM50401687 CN(C)c1ncnc2sc3c(ncn(-c4ccc(OC(F)(F)F)cc4)c3=O)c12
BDBM50401688 CN(C)c1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
BDBM50401689 COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
BDBM50411807 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(=O)N1CCCC1
BDBM50411808 Cc1cn2cc(cc2c(n1)C#Cc1cccc(NS(C)(=O)=O)c1)C(F)(F)F
BDBM50411809 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C#N)C(F)(F)F
BDBM50411810 Cc1cn2cc(cc2c(n1)C#Cc1cccc(Br)c1)C(F)(F)F
BDBM50411811 Cc1cn2cc(cc2c(n1)C#Cc1cccc(Cl)c1)C(F)(F)F
BDBM50411812 Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C(F)(F)F
BDBM50411813 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(F)(F)F
BDBM50411814 Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C#N
BDBM50411815 Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(F)cc1
BDBM50411816 Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(Cl)cc1
BDBM50411817 Cc1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C(F)(F)F
BDBM50411818 Cc1cn2cc(CN3CCNC(=O)C3)cc2c(n1)C#Cc1ccccc1
BDBM50411819 CC(=O)N1CCN(Cc2cc3c(nc(C)cn3c2)C#Cc2ccccc2)CC1
BDBM50411820 CN1CCN(Cc2cc3c(nc(C)cn3c2)C#Cc2ccccc2)CC1
BDBM50411821 Cc1cn2cc(CN3CCCCC3)cc2c(n1)C#Cc1ccccc1
BDBM50411822 CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1
BDBM50411823 Cc1noc(n1)-c1cc2c(nc(C)cn2c1)C#Cc1ccccc1
BDBM50411824 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1
BDBM50411790 Cc1cc2c(nc(C)cn2c1)C#Cc1ccsc1
BDBM50411791 Cc1cc2c(nc(C)cn2c1)C#Cc1cccnc1
BDBM50411825 Cc1cc2c(nc(C)cn2c1)C#Cc1ccccc1
BDBM50411786 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1C(F)(F)F)C(F)(F)F
BDBM50411787 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(=O)OC(C)(C)C)C(F)(F)F
BDBM50411788 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(O)=O)C(F)(F)F
BDBM50411789 COc1cccc(c1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
BDBM50411792 Cc1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
BDBM50411793 CC1CCCN1C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
BDBM50411794 C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
BDBM50411795 CC1CCC(C)N1C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
BDBM50411796 Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCCC1(C)C
BDBM50411797 CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1 |THB:8:7:1.2:4,0:1:4:7.6|
BDBM50411798 Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1C[C@H]2CC[C@@H]1C2 |THB:17:19:22.23:25|
BDBM50411799 CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
BDBM50411800 CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(F)c1
BDBM50411801 CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1F
BDBM50411802 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(=O)N1CCOCC1
BDBM50411803 Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C(=O)N1CCOCC1
BDBM50411804 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(=O)N1CCOCC1
BDBM50411805 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(=O)N1CCCC1
BDBM50411806 Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C(=O)N1CCCC1
BDBM50411829 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C#N
BDBM50411826 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C(=O)N1CCOCC1
BDBM50411827 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C(=O)N1CCCC1
BDBM50411828 CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1
BDBM50411830 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C(F)(F)F
BDBM50411831 FC(F)(F)c1cc2c(nccn2c1)C#Cc1ccccc1
BDBM50411832 Cc1cn2cccc2c(n1)C#Cc1cncc2ccccc12
BDBM50411833 Cc1cn2cccc2c(n1)C#Cc1cncnc1
BDBM50411834 Cc1cn2cccc2c(n1)C#Cc1cccc(O)c1
BDBM50411841 CC1CCCCN1C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
BDBM50411842 Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCC(F)(F)C1
BDBM50411843 CN1CCN(CC1)C(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
BDBM50411769 Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C#N
BDBM50411835 Cc1cn2cccc2c(n1)C#Cc1ccc(Br)cc1
BDBM50411836 Cc1cn2cccc2c(n1)C#Cc1ccc(Cl)cc1
BDBM50411837 Cc1cn2cccc2c(n1)C#Cc1ccc(F)cc1
BDBM50411838 Cc1cccc(c1)C#Cc1nc(C)cn2cccc12
BDBM50411839 Cc1cn2cccc2c(n1)C#Cc1ccccc1
BDBM50411840 Cc1ccc(N)c(n1)C#Cc1cccc(F)c1
BDBM50411844 Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCOCC1
BDBM50411845 Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(=O)N1CCCC1
BDBM50411846 CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
BDBM50411758 CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
BDBM50411759 CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(F)c1
BDBM50411760 CNC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1F
BDBM50411761 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C(N)=O
BDBM50411762 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(N)=O
BDBM50411763 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccsc1
BDBM50411764 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccccc1F
BDBM50411765 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C(F)(F)F
BDBM50411766 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(cc1)C#N
BDBM50411767 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C#N
BDBM50411768 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(Cl)c1
BDBM50411848 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccnc1
BDBM50411849 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(Cl)cc1
BDBM50411850 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1cccc(c1)C(F)(F)F
BDBM50411851 Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C#N
BDBM50411852 Cc1noc(C)c1-c1cccc(c1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
BDBM50411853 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1cn[nH]c1)C(F)(F)F
BDBM50411854 Cc1cn2cc(cc2c(n1)C#Cc1cccnc1)C(F)(F)F
BDBM50411855 CN(C)c1ccc(cc1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
BDBM50411856 Cc1cn2cc(cc2c(n1)C#Cc1ccc(F)cc1)C(F)(F)F
BDBM50411857 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1Cl)C(F)(F)F
BDBM50411858 CC(=O)Nc1cccc(c1)C#Cc1nc(C)cn2cc(cc12)C(F)(F)F
BDBM50411859 Cc1cn2cc(cc2c(n1)C#Cc1ccc(Cl)cc1)C(F)(F)F
BDBM50411860 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C(F)(F)F
BDBM50411861 CCOC(=O)c1cc2c(nc(C)cn2c1)C#Cc1ccc(F)cc1
BDBM50411847 Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(N)=O
BDBM50411770 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)C(F)(F)F)C#N
BDBM50411771 Cc1cn2cc(cc2c(n1)C#Cc1ccccc1F)C#N
BDBM50411772 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1ccsc1)C(F)(F)F
BDBM50411773 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1ccoc1)C(F)(F)F
BDBM50411774 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1cnn(C)c1)C(F)(F)F
BDBM50411775 Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C(F)(F)F
BDBM50411776 Cc1cn2cc(cc2c(n1)C#Cc1cccc(c1)-c1cnoc1)C(F)(F)F
BDBM50411777 Cc1cn2cc(cc2c(n1)C#Cc1cccs1)C(F)(F)F
BDBM50411778 Cc1cn2cc(cc2c(n1)C#Cc1ccoc1)C(F)(F)F
BDBM50411779 Cc1cn2cc(cc2c(n1)C#Cc1cncn1C)C(F)(F)F
BDBM50411780 Cc1cn2cc(cc2c(n1)C#Cc1ccccn1)C(F)(F)F
BDBM50411781 Cc1cn2cc(cc2c(n1)C#Cc1ccncc1)C(F)(F)F
BDBM50411782 Cc1cn2cc(cc2c(n1)C#Cc1ccc(NS(C)(=O)=O)cc1)C(F)(F)F
BDBM50411783 Cc1cn2cc(cc2c(n1)C#Cc1ccc(cc1)C#N)C(F)(F)F
BDBM50411784 Cc1cn2cc(cc2c(n1)C#Cc1ccc(cc1)C(F)(F)F)C(F)(F)F
BDBM50411785 Cc1cn2cc(cc2c(n1)C#Cc1ccc(F)cc1F)C(F)(F)F
BDBM50431719 Cc1csc(n1)C#Cc1cccnc1
BDBM50431720 Cc1cnc(NC(=O)c2nn(C)c(c2C)-c2ccc(F)cc2)s1
BDBM50431721 Cc1csc(NC(=O)c2nn(C)c(c2C)-c2ccc(F)cc2)n1
BDBM50431722 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(Cl)n1
BDBM50431723 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(F)c1
BDBM50431724 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(Cl)c1
BDBM50431725 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(C)c1
BDBM50431726 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccncc1
BDBM50431727 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1
BDBM50431728 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(F)cn1
BDBM50431729 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccn1
BDBM50431730 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(F)c(C)n1
BDBM50431677 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(n1)C(F)(F)F
BDBM50431678 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(Cl)n1
BDBM50431679 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cc(C)ccn1
BDBM50431680 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(C)cn1
BDBM50431681 Cc1c(OCc2ccc(F)cc2)n(C)nc1C(=O)Nc1cccc(C)n1
BDBM50431682 Cc1c(OCC2CCCCC2)n(C)nc1C(=O)Nc1cccc(C)n1
BDBM50431683 Cc1c(OC2CCCCC2)n(C)nc1C(=O)Nc1cccc(C)n1
BDBM50431684 Cc1c(nn(C)c1C1CCCCC1)C(=O)Nc1cccc(C)n1
BDBM50431685 Cc1c(nn(C)c1-c1ccncc1)C(=O)Nc1cccc(C)n1
BDBM50431686 CN(C)c1ccc(cc1)-c1c(C)c(nn1C)C(=O)Nc1cccc(C)n1
BDBM50431687 COc1ccc(cc1)-c1c(C)c(nn1C)C(=O)Nc1cccc(C)n1
BDBM50431688 Cc1c(nn(C)c1-c1ccc(cc1)C(F)(F)F)C(=O)Nc1cccc(C)n1
BDBM50431689 Cc1c(nn(C)c1-c1ccc(C)cc1)C(=O)Nc1cccc(C)n1
BDBM50431690 Cc1c(nn(C)c1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C)n1
BDBM50431691 Cc1c(nn(C)c1-c1cc(F)cc(F)c1)C(=O)Nc1cccc(C)n1
BDBM50431692 Cc1c(nn(C)c1-c1ccc(F)cc1F)C(=O)Nc1cccc(C)n1 |(61.97,-12.43,;61.98,-10.89,;63.24,-10,;62.78,-8.53,;61.24,-8.51,;60.34,-7.26,;60.75,-9.97,;59.28,-10.44,;58.16,-9.39,;56.69,-9.85,;56.35,-11.36,;54.88,-11.82,;57.5,-12.4,;58.96,-11.93,;60.1,-12.97,;64.7,-10.49,;65,-12,;65.85,-9.47,;67.31,-9.96,;67.61,-11.48,;69.07,-11.97,;70.23,-10.95,;69.92,-9.43,;71.07,-8.41,;68.46,-8.95,)|
BDBM50431693 Cc1c(nn(C)c1-c1ccc(F)c(F)c1)C(=O)Nc1cccc(C)n1
BDBM50431694 Cc1c(nn(C)c1-c1cccc(Cl)c1)C(=O)Nc1cccc(C)n1
BDBM50431695 Cc1c(nn(C)c1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C)n1
BDBM50431696 Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1
BDBM50431697 Cc1c(nn(C)c1-c1ccccc1)C(=O)Nc1cccc(C)n1
BDBM50431698 Cc1cccc(NC(=O)c2cc(-c3ccccc3)n(C)n2)n1
BDBM50431704 CCc1c(nn(C)c1-c1ccccc1)C(=O)Nc1cccc(C)n1
BDBM50431699 Cc1cccc(NC(=O)c2nn(C)c3ccccc23)n1
BDBM50431700 Cc1cccc(NC(=O)c2c3CCCCc3nn2C)n1
BDBM50431701 Cc1cccc(NC(=O)c2nn(C)c3CCCCc23)n1
BDBM50431702 Clc1cccc(NC(=O)c2noc3CCCc23)c1
BDBM50431703 Oc1ccc(Cl)cc1NC(=O)c1noc2CCCc12
BDBM50431705 Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1
BDBM50431706 Cc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccc(F)cc1
BDBM50431707 Cc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1
BDBM50431708 Cc1nc(C(=O)Nc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
BDBM50431709 Cc1nc(C(=O)Nc2ccc(F)c(C)n2)c(C)n1-c1ccc(F)cc1
BDBM50431710 Cc1nc(C(=O)Nc2cccc(n2)C#N)c(C)n1-c1ccc(F)cc1
BDBM50431711 Cc1nc(C(=O)Nc2cccc(n2)C(F)(F)F)c(C)n1-c1ccc(F)cc1
BDBM50431712 Cc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1
BDBM50431713 Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)cc1
BDBM50431714 Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(cc1)C(F)(F)F
BDBM50431715 COc1ccc(cc1)-n1c(C)nc(C(=O)Nc2cccc(C)n2)c1C
BDBM50431716 Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(F)c(Cl)c1
BDBM50431717 Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)c(Cl)c1
BDBM50431718 Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(F)cc1
BDBM50429643 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2n[nH]cc2c1 |r|
BDBM50429644 CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2n[nH]cc2c1 |r|
BDBM50429645 CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2n[nH]cc2c1 |r|
BDBM50429646 CC[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2nn(C)cc2c1 |r|
BDBM50429647 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCCC1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429648 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCC1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429649 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CC1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429650 CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429651 CCCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429652 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)N(C)C)-c1ccc2nn(C)cc2c1 |r|
BDBM50429653 CNc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429654 COc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429655 CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
BDBM50429656 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C(F)F)-c1ccc2nn(C)cc2c1 |r|
BDBM50429657 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(CF)n1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429658 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(C)n1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429659 C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1ccccn1)-c1ccc2nn(C)cc2c1 |r|
BDBM50429059 Brc1cccc2nc(ccc12)C#Cc1ccccn1
BDBM50429060 c1ccc(nc1)C#Cc1ccc2ccccc2n1
BDBM50429406 CN(C1CCCC(C1)N(C)C(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
BDBM50429407 CN(C1CCCC(C1)NC(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1
BDBM50429408 Clc1cccc(NC(=O)[C@H]2CCC[C@@H](C2)NC(=O)c2ccccn2)c1 |r|
BDBM50429409 Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)C(=O)Nc1ccccn1 |r|
BDBM50429410 Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)Cc1ccccn1 |r|
BDBM50429411 O=C(Nc1ccccn1)[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(c1)C#N |r|
BDBM50429412 Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1 |r,t:8|
BDBM50429413 Cc1cccc(n1)C(=O)N[C@H]1CCC[C@]2(CN=C(O2)c2cccc(Cl)c2)C1 |r,c:17|
BDBM50429414 Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429415 Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1 |r|
BDBM50429416 O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N |r|
BDBM50429417 Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ncccn1 |r|
BDBM50429418 COc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429419 Fc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429420 Fc1ccccc1C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429421 Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccc1 |r|
BDBM50429422 Clc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1ncccc1C#N
BDBM50429423 Cc1cccc(n1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429424 Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccncc1 |r|
BDBM50429425 Clc1cccc(c1)C1=NCC2(CCCC(C2)NC(=O)c2ccncc2)O1 |t:8|
BDBM50429426 Clc1cccc(c1)C1=NCC2(CCCC(C2)NC(=O)c2cccnc2)O1 |t:8|
BDBM50429427 Clc1cccc(c1)C1=NC[C@@]2(CCC[C@H](C2)NC(=O)c2ccccn2)O1 |r,t:8|
BDBM50429428 Cc1cccc(n1)C(=O)N[C@@H]1CCC[C@@]2(CN=C(O2)c2cccc(Cl)c2)C1 |r,c:17|
BDBM50429429 Cc1cccc(n1)C(=O)N[C@H]1CCC[C@@]2(CN=C(O2)c2cccc(Cl)c2)C1 |r,c:17|
BDBM50429430 Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)C1CCCCC1 |r|
BDBM50429431 Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cnccn1 |r|
BDBM50429432 CN(C)c1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429433 CN(C)c1ccc(cc1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429434 COc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429435 Fc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429436 Cc1cccnc1C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429437 Cc1ccnc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(Cl)c1 |r|
BDBM50429438 Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccnc1 |r|
BDBM50429439 O=C(N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1)c1ccccn1 |r|
BDBM50429440 Fc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(F)c1 |r|
BDBM50429441 Clc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1cccc(Cl)c1
BDBM50429442 Cc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1 |r|
BDBM50429443 COc1cccc(c1)C(=O)NC1CCCC(C1)NC(=O)c1ccccn1
BDBM50429444 Clc1cccc(c1)C(=O)N[C@@H]1CCC[C@@H](C1)NC(=O)c1ccccn1 |r|
BDBM50429445 Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1 |r|
BDBM50429446 O=C(N[C@H]1CCC[C@@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N |r|
BDBM50429447 O=C(N[C@@H]1CCC[C@@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N |r|
BDBM50429061 COc1cccc2nc(ccc12)C#Cc1cccnc1
BDBM50429062 COc1cccc2nc(ccc12)C#Cc1ccccc1
BDBM50429642 CC(C)c1cccc(n1)-c1c(NC(=O)C2CC2)snc1-c1ccc2nn(C)cc2c1
BDBM50441230 CC(C)NC(=O)c1ccc(cn1)C#Cc1ccncc1
BDBM50440797 Cn1cnc2ccc(cc12)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440798 CN1CCOc2cc(ccc12)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440799 COc1cc(ccc1C)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440800 Cc1cc(cc(C)c1F)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440801 CCOc1ccc(cc1)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440802 Cc1cc(ccc1Cl)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440803 Cc1ccc(cc1)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440804 Fc1ccc(cc1)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440805 Cc1cccc(c1)-c1cn(CC(=O)N2CCN(CC2)c2ccccn2)c(n1)-c1ccccc1
BDBM50440806 Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ccccn2)c(n1)C1CCCCC1
BDBM50440807 Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2cccnn2)c(n1)-c1ccccc1
BDBM50440808 Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ncc(F)cn2)c(n1)-c1ccccc1
BDBM50440809 COc1cnc(nc1)N1CCN(CC1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
BDBM50440810 Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
BDBM50440811 Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ccccn2)c(n1)-c1ccc(F)cc1
BDBM50440812 Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ccccn2)c(n1)-c1ccccc1
BDBM50440813 COc1ccnc(c1)N1CCN(CC1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
BDBM50440814 Cc1nc2CN(CCc2o1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
BDBM50440815 Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(C(=O)C2)c2cccc(c2)C#N)c(n1)-c1ccc(F)cc1
BDBM50440816 Cc1nc2CN(Cc2s1)C(=O)Cn1cc(nc1-c1ccc(F)cc1)-c1ccc(F)c(C)c1
BDBM50440817 CC1=NC2CCN(CC2O1)C(=O)Cn1cc(nc1-c1ccc(F)cc1)-c1ccc(F)c(C)c1 |t:1|
BDBM50440818 CC1=NC2CCN(CC2O1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1 |t:1|
BDBM50440819 CC(=O)Nc1nc2CCN(CCc2s1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
BDBM50440820 Cc1cc(ccc1F)-c1cn(CC(=O)N2CCc3nc(N)sc3CC2)c(n1)-c1ccccc1
BDBM50440821 Cc1nc2CCN(CCc2s1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
BDBM50441231 CC(C)(C)c1nnc2C[C@H](CCn12)c1nc(no1)-c1ccc(F)cc1 |r|
BDBM50442525 Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
BDBM50443056 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cn2ccccc2n1 |r,TLB:2:4:9.10.12:6.7|
BDBM50443057 COC(=O)N1C[C@@H]2CCCC(O)(C#Cc3cccc(C)c3)[C@@H]2C1 |r|
BDBM50443058 COC(=O)N1C[C@H]2CC(O)(C[C@H]2C1)C#Cc1cccc(C)c1 |r|
BDBM50443059 COC(=O)N1C[C@@H]2COC[C@H](C1)[C@@]2(O)C#Cc1cccc(C)c1 |r,TLB:2:4:12:9.8.7|
BDBM50443060 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1ccc(F)cc1 |r,TLB:2:4:9.10.12:6.7|
BDBM50443061 COC(=O)N1[C@H]2CCC[C@H]1CC(O)(C2)C#Cc1cccc(C)c1 |r,TLB:2:4:11.10.13:6.8.7|
BDBM50443062 COC(=O)N1CC2CCC(O)(CC2C1)C#Cc1cccc(C)c1
BDBM50443063 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)n1 |r,TLB:2:4:9.10.12:6.7|
BDBM50443064 COC(=O)N1CCC2(CC(O)(CO2)C#Cc2cccc(C)c2)CC1
BDBM50443065 Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O |r,TLB:18:17:16.9.11:13.14|
BDBM50443066 CC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,TLB:1:3:8.9.11:5.6|
BDBM50443067 COC(=O)N1CCC(O)(CC11CCC1)C#Cc1cccc(C)c1
BDBM50443068 Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)C |r,TLB:18:17:16.9.11:13.14|
BDBM50443069 COC(=O)N1CCC2(CC(O)(C2)C#Cc2cccc(C)c2)CC1
BDBM50443070 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1ccccc1 |r,TLB:2:4:9.10.12:6.7|
BDBM50443071 COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)C2CCCCC12
BDBM50443072 Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)N1CCC1 |r,TLB:18:17:16.9.11:13.14|
BDBM50443073 COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)[C@H]2CCC[C@@H]12 |r|
BDBM50443074 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(c1)C#N |r,TLB:2:4:9.10.12:6.7|
BDBM50443075 COC(=O)N1CC(F)(F)C(O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@H]12 |r|
BDBM50443076 Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2c1ncccc1C#N |r,TLB:18:17:16.9.11:13.14|
BDBM50443077 CN(C)C(=N/C#N)\N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,TLB:3:7:12.13.15:9.10|
BDBM50443078 COC(=O)N1[C@H]2CC[C@@H]1C[C@@](C2)(OC)C#Cc1cccc(C)c1 |r,TLB:2:4:9.10.11:6.7|
BDBM50443079 CN(C)C(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,TLB:3:5:10.11.13:7.8|
BDBM50443080 COC(=O)N1C[C@@H]2CCC(O)(C#Cc3cccc(C)c3)[C@@H]2C1 |r|
BDBM50443081 COC(=O)N1CCCCC11CCCC(O)(C1)C#Cc1cccc(C)c1
BDBM50443082 COC(=O)N1C[C@@H]2CC[C@H]1C[C@@]2(O)C#Cc1cccc(C)c1 |r,TLB:2:4:11.10:7.8|
BDBM50443083 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(OC)c1 |r,TLB:2:4:9.10.12:6.7|
BDBM50443084 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(OC(F)F)c1 |r,TLB:2:4:9.10.12:6.7|
BDBM50443085 COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1 |r|
BDBM50443086 COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)C#Cc1cccc(C)c1 |r,TLB:2:4:9.10.11:6.7|
BDBM50443087 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(F)c1 |r,TLB:2:4:9.10.12:6.7|
BDBM50443088 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(Cl)c1 |r,TLB:2:4:9.10.12:6.7|
BDBM50443089 COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@H]12 |r|
BDBM50443090 COC(=O)N1CCC2CC(O)(C#Cc3cccc(C)c3)C2C1
BDBM50443091 COC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,THB:2:4:10.12.9:7.6|
BDBM50443092 CCOC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1 |r,TLB:3:5:10.11.13:7.8|
BDBM50443093 COC(=O)N1[C@@H]2CC[C@@H]1CC(O)(C2)C#Cc1cccc(C)c1 |r,TLB:2:4:6.7:12.10.9,13:10:4:6.7,THB:11:10:4:6.7|
BDBM50438295 CC1CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
BDBM50438296 CC1CC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C1
BDBM50438297 CC1CC(=O)c2cnc(Nc3ccccc3Cl)nc2C1
BDBM50440205 O=C1CCCc2nc(sc12)C#Cc1ccccc1
BDBM50448144 Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
BDBM50448145 CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)cnc12
BDBM50448146 Cc1cc(CNC(=O)c2nn(C)c3nc(OCc4ccccn4)ccc23)on1
BDBM50448147 CCNC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
BDBM50448148 CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
BDBM50448149 CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12
BDBM50448150 C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 |r|
BDBM50448151 Cn1nc(C(=O)N2CCOCC2)c2ccc(OCc3ccccn3)nc12
BDBM50448152 CCC(C)NC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
BDBM50448153 Cc1ccncc1-c1nn(C2CC2)c2nc(OCc3ccccn3)cnc12
BDBM50448154 CCn1nc(-c2cnccc2C)c2ncc(OCc3ccccn3)nc12
BDBM50448155 Cc1c(cnn1C)-c1nn(C)c2nc(OCc3ccccn3)cnc12
BDBM50448156 Cc1ccnnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
BDBM50448157 Cc1c(Cl)cncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
BDBM50438298 CC1CC(=O)c2cnc(Nc3ccc(C)cc3)nc2C1
BDBM50438303 O=C1CCCc2nc(Nc3cccc(c3)C#N)ncc12
BDBM50438304 Clc1ccc(Nc2ncc3C(=O)CCCc3n2)cc1
BDBM50438305 Clc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
BDBM50438306 Clc1ccccc1Nc1ncc2C(=O)CCCc2n1
BDBM50438307 Fc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
BDBM50438308 Cc1cc(C)cc(Nc2ncc3C(=O)CCCc3n2)c1
BDBM50438309 Cc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
BDBM50448158 Cn1nc(-c2ncccc2OC(F)F)c2ncc(OCc3ccccn3)nc12
BDBM50448159 Cn1nc(-c2cnccc2C(F)(F)F)c2ncc(OCc3ccccn3)nc12
BDBM50448160 Cc1cccnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
BDBM50448161 Cn1nc(-c2cccnc2)c2ncc(OCc3ccccn3)nc12
BDBM50448162 Cn1nc(-c2cccnc2)c2ccc(OCc3ccccn3)nc12
BDBM50448163 Cn1nc(-c2ccccn2)c2ccc(OCc3ccccn3)nc12
BDBM50448164 Cn1nc(-c2ccccc2)c2ccc(OCc3ccccn3)nc12
BDBM50438310 Fc1ccc(Nc2nc3CCCCc3s2)cc1
BDBM50440185 CN1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50440186 Oc1ccc2OC(=O)CCc2c1
BDBM50440189 CN1CCc2nc(OCc3ccccc3)sc2C1=O
BDBM50440193 CCN1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50438278 CC1(C)CC(=O)c2cc(cnc2C1)C#Cc1ccccc1
BDBM50437089 O=C1N(Cc2nc(sc12)C#Cc1ccccc1)C1CCCC1
BDBM50438282 Cc1ccc(Nc2ncc3C(=O)CCC(C)(C)c3n2)cc1
BDBM50438283 Cc1cccc(Nc2ncc3C(=O)CCC(C)(C)c3n2)c1
BDBM50438284 Cc1ccc(Nc2ncc3C(=O)C(C)(C)CCc3n2)cc1
BDBM50438285 CCCC1CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
BDBM50438286 CCC1CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
BDBM50438291 CC1CC(=O)c2cnc(Nc3ccc(OC(F)F)cc3)nc2C1
BDBM50438292 COc1ccc(Nc2ncc3C(=O)CC(C)Cc3n2)cc1
BDBM50438293 CC1CC(=O)c2cnc(Nc3ccc(C#N)c(F)c3)nc2C1
BDBM50438294 CC1CC(=O)c2cnc(Nc3ccc(cc3)C#N)nc2C1
BDBM50438299 CC1(C)CC(=O)c2cnc(Nc3ccc(cc3)C#N)nc2C1
BDBM50438300 CC1(C)CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
BDBM50438301 Cc1ccc(Nc2ncc3C(=O)CC(C)(C)Cc3n2)cc1
BDBM50438302 Fc1cc(Nc2ncc3C(=O)CCCc3n2)cc(c1)C#N
BDBM50437099 FC1CN(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437100 O=S(=O)(N1CCOCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437101 O=S(=O)(N1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437102 O=S(=O)(C1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437103 O=S(=O)(N1CCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437104 O=S(=O)(C1CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437105 CN(C)S(=O)(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437106 CC(C)S(=O)(=O)N1Cc2nc(sc2C1)C#Cc1ccccc1
BDBM50437107 CC(C)S(=O)(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437108 O=C(C1CCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437109 O=C(C1CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437110 CCC(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437112 Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C1CCOC1
BDBM50437113 Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C1CCCC1
BDBM50437114 Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C1CCC1
BDBM50437115 CC(C)CN1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437119 Cc1cc(no1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437120 CN1CCC(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437121 O=C(CC1CCOCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437122 O=C(C1CCCCO1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437123 O=C(C1CCOCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437124 O=S(=O)(N1Cc2nc(sc2C1)C#Cc1ccccc1)N1CCCCC1
BDBM50437125 Cc1nc(cs1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437126 CC1CCC(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1 |(56.6,-11.19,;55.27,-10.41,;53.93,-11.17,;52.6,-10.39,;52.61,-8.86,;53.94,-8.08,;55.28,-8.87,;51.28,-8.09,;51.27,-6.55,;49.95,-8.86,;49.95,-10.4,;48.62,-11.17,;47.29,-10.41,;45.83,-10.9,;44.92,-9.65,;45.81,-8.4,;47.28,-8.87,;48.61,-8.09,;43.38,-9.66,;41.84,-9.66,;40.29,-9.66,;39.52,-10.99,;37.98,-10.99,;37.22,-9.67,;37.98,-8.34,;39.52,-8.33,)|
BDBM50437127 Cc1cccc(n1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437128 O=S(=O)(C1CCCCC1)N1Cc2nc(sc2C1)C#Cc1ccccc1
BDBM50437129 CC1CCCC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437130 Cc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437131 O=C(N1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437132 FC1CCN(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437133 FC1(F)CCN(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437134 O=C(N1CCc2nc(sc2C1)C#Cc1ccccc1)c1cccc(c1)C#N
BDBM50437135 FC1(F)CCN(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437136 Fc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437137 COc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437138 FC1(F)CN(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437139 O=C([C@H]1CC2CCC1C2)N1CCc2nc(sc2C1)C#Cc1ccccc1 |r|
BDBM50437140 FC(F)(F)c1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437141 O=C(N1CCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437142 Clc1cccc(c1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437143 O=C(N1CCCCC1)c1cnc(s1)C#Cc1ccccc1
BDBM50437070 FC1(F)CCC(CC1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437071 O=C(C1CCCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437072 O=C(C1CCCO1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437073 O=C(C1CCOC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437074 O=C(C1CCCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50438276 Cc1cccc(Nc2ncc3C(=O)C(C)(C)CCc3n2)c1
BDBM50437075 COC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1 |(18.01,-6.37,;18,-4.83,;16.67,-4.06,;15.16,-4.46,;14.76,-2.98,;16.27,-2.6,;13.43,-2.21,;13.41,-.67,;12.09,-2.99,;12.1,-4.53,;10.76,-5.3,;9.43,-4.54,;7.97,-5.02,;7.06,-3.77,;7.96,-2.52,;9.43,-2.99,;10.75,-2.21,;5.52,-3.78,;3.98,-3.79,;2.43,-3.79,;1.66,-5.12,;.12,-5.12,;-.65,-3.79,;.12,-2.46,;1.66,-2.45,)|
BDBM50437076 Fc1ccc(cc1)C#Cc1nc2CCN(Cc2s1)C(=O)C1CC(F)(F)C1
BDBM50437077 Fc1cccc(c1)C#Cc1nc2CCN(Cc2s1)C(=O)C1CC(F)(F)C1
BDBM50437078 FC1(F)CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437079 FC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1 |(78.62,-51.63,;77.28,-50.86,;75.78,-51.27,;75.37,-49.78,;76.88,-49.4,;74.04,-49.01,;74.03,-47.47,;72.7,-49.79,;72.71,-51.33,;71.38,-52.1,;70.04,-51.34,;68.58,-51.82,;67.67,-50.57,;68.57,-49.32,;70.04,-49.79,;71.36,-49.01,;66.13,-50.58,;64.59,-50.59,;63.05,-50.59,;62.28,-51.92,;60.74,-51.92,;59.97,-50.59,;60.73,-49.26,;62.28,-49.25,)|
BDBM50437080 CC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1cccc(F)c1 |(57.36,-50.98,;56.02,-50.21,;54.52,-50.62,;54.12,-49.14,;55.63,-48.75,;52.79,-48.36,;52.77,-46.82,;51.45,-49.14,;51.46,-50.68,;50.12,-51.45,;48.79,-50.69,;47.33,-51.17,;46.43,-49.92,;47.32,-48.68,;48.79,-49.15,;50.11,-48.37,;44.88,-49.93,;43.34,-49.94,;41.8,-49.94,;41.03,-48.61,;39.49,-48.61,;38.72,-49.94,;39.49,-51.27,;38.72,-52.6,;41.03,-51.27,)|
BDBM50437081 CC1CC(C1)C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1 |(35.48,-51.63,;34.15,-50.87,;32.64,-51.27,;32.24,-49.79,;33.75,-49.41,;30.91,-49.02,;30.89,-47.48,;29.57,-49.79,;29.58,-51.33,;28.24,-52.1,;26.91,-51.34,;25.45,-51.83,;24.54,-50.58,;25.44,-49.33,;26.91,-49.8,;28.23,-49.02,;23,-50.59,;21.46,-50.59,;19.92,-50.59,;19.15,-51.92,;17.61,-51.92,;16.84,-50.6,;17.6,-49.27,;19.15,-49.26,)|
BDBM50437082 O=C(C1CC11CCC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437083 CC1CC1C(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437084 C1CCC(CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437085 CC(C)CCN1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437086 CCCCN1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437092 COc1ccccc1C#Cc1nc2CCNC(=O)c2s1
BDBM50437093 Fc1ccc(cc1)C#Cc1nc2CCNC(=O)c2s1
BDBM50437094 Fc1ccccc1C#Cc1nc2CCNC(=O)c2s1
BDBM50437095 Clc1cccc(c1)C#Cc1nc2CCNC(=O)c2s1
BDBM50437096 Fc1cccc(c1)C#Cc1nc2CCNC(=O)c2s1
BDBM50437097 CN1CCc2nc(sc2C1=O)C#Cc1ccccc1
BDBM50437098 O=C1NCCc2nc(sc12)C#Cc1ccccc1
BDBM50437111 CC(=O)N1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437116 CCN1CCc2nc(sc2C1)C#Cc1cccc(F)c1
BDBM50437117 CCN1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437118 O=C1N(Cc2nc(sc12)C#Cc1ccccc1)C1CC1
BDBM50440206 COCCN1CCc2nc(sc2C1=O)C#Cc1ccccc1
BDBM50438277 CC1CC(=O)c2cc(cnc2C1)C#Cc1ccccc1
BDBM50438279 O=C1CCCc2ncc(cc12)C#Cc1ccccc1
BDBM50440187 O=C1N(CCc2nc(COc3ccccc3)sc12)c1ccccn1
BDBM50440188 O=C1N(CCc2nc(COc3ccccc3)sc12)c1cccnc1
BDBM50438280 Clc1ccc(Nc2ncc3CCCCc3n2)cc1
BDBM50438281 Clc1cccc(Nc2ncc3CCCCc3n2)c1
BDBM50438287 C[C@H]1CC[C@@H](CC1)Nc1ncc2C(=O)CC(C)Cc2n1 |r,wU:4.7,wD:1.0,(19.82,-24.85,;18.48,-25.61,;17.15,-24.84,;15.81,-25.61,;15.81,-27.15,;17.15,-27.92,;18.47,-27.16,;14.48,-27.92,;13.15,-27.15,;13.14,-25.61,;11.81,-24.85,;10.49,-25.61,;9.16,-24.84,;9.16,-23.3,;7.83,-25.61,;7.83,-27.15,;6.5,-27.93,;9.16,-27.92,;10.49,-27.15,;11.82,-27.92,)|
BDBM50439529 O=C(N1CCC2(CCCC2)C1)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1 |r|
BDBM50439530 O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
BDBM50440190 Fc1ccc(cc1)N1CCc2nc(OCc3ccccc3)sc2C1=O
BDBM50440191 O=C1N(CCc2nc(COc3ccccc3)sc12)c1ccncc1
BDBM50440192 Fc1ccc(nc1)N1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50438288 CC1CC(=O)c2cnc(Nc3ccc(C)nc3)nc2C1
BDBM50438289 CC1CC(=O)c2cnc(Nc3ccc(Cl)nc3)nc2C1
BDBM50438290 CC1CC(=O)c2cnc(Nc3ccc(Cl)cn3)nc2C1
BDBM50440194 Fc1cccnc1N1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50440195 CC(C)N1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50440196 COCCN1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50440197 O=C1N(CCc2nc(COc3ccccc3)sc12)C1CC1
BDBM50440198 O=C1N(CC2CC2)CCc2nc(COc3ccccc3)sc12
BDBM50440199 O=C1N(CC2CCOCC2)CCc2nc(COc3ccccc3)sc12
BDBM50440200 Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)sc2C1=O
BDBM50440201 Fc1ccc(N2CCc3nc(COc4ccccc4)sc3C2=O)c(F)c1
BDBM50440202 Fc1ccc(cc1)N1CCc2nc(COc3ccccc3F)sc2C1=O
BDBM50440203 Fc1ccc(cc1)N1CCc2nc(COc3cccc(F)c3)sc2C1=O
BDBM50440204 Fc1ccc(OCc2nc3CCN(C(=O)c3s2)c2ccc(F)cc2)cc1
BDBM50437087 CN1CCc2nc(sc2C1)C#Cc1cccc(F)c1
BDBM50437088 CN1CCc2nc(sc2C1)C#Cc1ccccc1
BDBM50437090 O=C1NCCc2nc(sc12)C#Cc1cccnc1
BDBM50437091 Cc1cccc(c1)C#Cc1nc2CCNC(=O)c2s1
BDBM136126 COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM135949 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM50022759 Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
BDBM135977 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
BDBM136042 CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nc(C)cs1 |c:26,t:10|
BDBM136131 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM136118 COC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:11,t:9|
BDBM136119 Fc1cccc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136120 Fc1ccnc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136121 Fc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136122 Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3cnc(F)cn3)C2=C1 |c:31,t:7|
BDBM136123 O=C1CN=C(C=C2N1CCc1c2cccc1-n1nccn1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136124 Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cnc(F)nc1)n1cnc(c1)C1CC1 |c:7,t:5|
BDBM135948 Clc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
BDBM135950 FC(F)(F)c1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:11,t:9|
BDBM135951 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:9,t:7|
BDBM135952 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(Cl)cccc3C2=C1 |c:26,t:9|
BDBM135953 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccc(C)o1 |c:9,t:7|
BDBM135955 COc1cccc(n1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM136049 COCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM136125 Fc1cncc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136128 COC(C)c1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccn(C)n1 |w:2.1,c:11,t:9|
BDBM136129 Cc1ccc(cn1)-c1ccnc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136130 Fc1ccc(cn1)-c1ccnc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136132 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9|
BDBM135956 CCc1cc(ccn1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM135957 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccn(C)n1 |c:9,t:7|
BDBM135958 COCCOc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:30,t:12|
BDBM135959 COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)c(Cl)ccc3C2=C1 |c:28,t:9|
BDBM135960 COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)cc(Cl)cc3C2=C1 |c:28,t:9|
BDBM135962 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(c1)C(F)(F)F |c:9,t:7|
BDBM135963 COc1ccc(cc1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:27,t:9|
BDBM136133 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ccno1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136134 Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
BDBM136135 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cocn1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136136 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)CCC3)C2=C1 |c:30,t:8|
BDBM136137 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |r,c:26,t:10|
BDBM136138 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)C)C2=C1 |c:29,t:9|
BDBM136139 OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
BDBM136140 CC(O)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM135964 COc1ccc(C)c(c1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1 |c:28,t:10|
BDBM135965 Fc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
BDBM135966 COc1cccc(c1)C1=NCC(=O)N2CCc3c(Br)cccc3C2=C1 |c:26,t:9|
BDBM135967 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccnc(c1)N(C)C |c:9,t:7|
BDBM135968 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:25,t:9|
BDBM135969 Cc1ccc(o1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
BDBM135970 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
BDBM135971 Cn1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:23,t:7|
BDBM136141 FC(F)(F)OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:28,t:12|
BDBM136142 Cc1ccc(nc1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136143 Cc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136144 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(OC(C)C)cccc3C2=C1 |c:29,t:9|
BDBM135972 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:29,t:9|
BDBM135973 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C(C)(C)O)C2=C1 |c:27,t:7|
BDBM135974 O=C1CN=C(C=C2N1CCc1c2cccc1-c1ccncc1)c1ccco1 |c:3,5|
BDBM135975 Brc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1 |c:8,t:6|
BDBM135976 COc1cccc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
BDBM135979 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
BDBM135980 Ic1cccc2C3=CC(=NCC(=O)N3CCc12)c1ccoc1 |c:8,t:6|
BDBM135981 CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:26,t:9|
BDBM135982 Cn1cnc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:24,t:7|
BDBM135983 COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cnc2N(C)CCOc2c1 |c:9,t:7|
BDBM135984 O=C1CN=C(C=C2N1CCc1c(cccc21)C#C)c1cccs1 |c:3,5|
BDBM135985 O=C1CN=C(C=C2N1CCc1c(cccc21)C#N)c1cccs1 |c:3,5|
BDBM135986 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C#N |c:23,t:7|
BDBM135987 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)N1CCOCC1 |c:25,t:9|
BDBM135988 CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(cccc3-n3cccn3)C2=C1 |c:31,t:9|
BDBM135989 COc1cccc(c1)C1=NCC(=O)N2CCc3c(CN(C)C)cccc3C2=C1 |c:29,t:9|
BDBM135990 COCCOCc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccc(OC)c1 |c:13,t:11|
BDBM135991 Cn1ccc(n1)C1=NCC(=O)N2CCc3c(CO)cccc3C2=C1 |c:25,t:7|
BDBM135992 Cn1cc(cn1)C1=NCC(=O)N2CCc3c(CO)cccc3C2=C1 |c:25,t:7|
BDBM135993 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=O |c:25,t:9|
BDBM135994 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccc3)C2=C1 |c:32,t:9|
BDBM135995 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccccn3)C2=C1 |c:32,t:9|
BDBM136052 CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C2=C1)-c1ccc(F)nc1 |c:25,t:9|
BDBM136053 Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM135996 O=C1CN=C(C=C2N1CCc1c2cccc1-c1ccncc1)c1ccoc1 |c:3,5|
BDBM135997 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1 |c:32,t:9|
BDBM135998 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:33,t:9|
BDBM135999 COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3F)C2=C1 |c:33,t:9|
BDBM136000 Cn1cnc(c1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3)C2=C1 |c:30,t:7|
BDBM136002 COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |w:24.28,c:25,t:9|
BDBM136054 Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:15,t:13|
BDBM136055 Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14|
BDBM136056 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cnc(C)o1 |c:23,t:7|
BDBM136059 COc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14|
BDBM136060 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cc[nH]n1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136006 COc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C(C)C |c:9,t:7|
BDBM136007 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(Cl)cccc3C2=C1 |c:24,t:7|
BDBM136008 FC(F)(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:27,t:10|
BDBM136009 Ic1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C#N |c:8,t:6|
BDBM136010 OCc1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
BDBM136061 Fc1ncc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136062 Fc1cc(ccn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136063 Fc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CCC1 |c:15,t:13|
BDBM136064 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |c:26,t:9|
BDBM136065 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |r,c:27,t:10|
BDBM136066 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cc(F)cc3C2=C1)C1CC1 |c:26,t:9|
BDBM136067 FC(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM136011 COC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:27,t:10|
BDBM136012 Cc1cn(c(C)n1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:25,t:8|
BDBM136013 CCOC(=O)c1cn(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1 |c:28,t:11|
BDBM136014 O=C1CN=C(C=C2N1CCc1c2cccc1-n1cccn1)n1cnc(c1)C1CCC1 |c:3,5|
BDBM136015 O=C1CN=C(C=C2N1CCc1c(cccc21)N1CCOCC1)n1cnc(c1)C1CCC1 |c:3,5|
BDBM136016 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncc[nH]1 |c:25,t:9|
BDBM136017 CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cnn(C)c1 |c:25,t:9|
BDBM136068 FCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
BDBM136069 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |r,c:31,t:10|
BDBM136070 Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3ccc(F)nc3)C2=C1 |c:32,t:7|
BDBM136071 COCc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9|
BDBM136072 Fc1ccc2C3=CC(=NCC(=O)N3CCc2c1-c1cccnc1F)n1cnc(n1)C1CC1 |c:7,t:5,(-4.6,-3.28,;-3.26,-2.51,;-3.26,-.97,;-1.93,-.2,;-.59,-.97,;.74,-.2,;.51,1.32,;1.56,2.45,;3.09,2.33,;3.96,1.06,;3.51,-.41,;4.6,-1.5,;2.07,-.97,;2.07,-2.51,;.74,-3.28,;-.59,-2.51,;-1.93,-3.28,;-1.93,-4.82,;-3.26,-5.59,;-3.26,-7.13,;-1.93,-7.9,;-.59,-7.13,;-.59,-5.59,;.74,-4.82,;.79,3.78,;1.69,5.03,;.79,6.27,;-.68,5.8,;-.68,4.26,;-2.01,6.57,;-2.78,7.9,;-3.55,6.57,)|
BDBM136073 Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1 |c:32,t:7,(-2.01,7.24,;-.68,6.47,;.79,6.94,;1.69,5.7,;.79,4.45,;-.68,4.93,;1.56,3.12,;3.09,3,;3.96,1.73,;3.51,.26,;4.6,-.83,;2.07,-.31,;2.07,-1.85,;.74,-2.62,;-.59,-1.85,;-.59,-.31,;-1.93,.46,;-3.26,-.31,;-3.26,-1.85,;-4.6,-2.62,;-1.93,-2.62,;-1.93,-4.16,;-3.26,-4.93,;-3.26,-6.47,;-1.93,-7.24,;-.59,-6.47,;-.59,-4.93,;.74,-4.16,;.74,.46,;.51,1.99,)|
BDBM136018 CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccn1C |c:25,t:9|
BDBM136019 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncco1 |c:24,t:8|
BDBM136020 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ccco1 |c:24,t:8|
BDBM136021 COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1 |c:26,t:10|
BDBM136022 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ncc(C)s1 |c:25,t:9|
BDBM136023 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cncnc3)C2=C1 |c:30,t:7|
BDBM136024 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cccnc3)C2=C1 |c:30,t:7|
BDBM136074 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1 |c:32,t:7,(-2.01,7.24,;-.68,6.47,;-.68,4.93,;.79,4.45,;1.69,5.7,;.79,6.94,;1.56,3.12,;3.09,3,;3.96,1.73,;3.51,.26,;4.6,-.83,;2.07,-.31,;2.07,-1.85,;.74,-2.62,;-.59,-1.85,;-.59,-.31,;-1.93,.46,;-3.26,-.31,;-3.26,-1.85,;-4.6,-2.62,;-1.93,-2.62,;-1.93,-4.16,;-3.26,-4.93,;-3.26,-6.47,;-1.93,-7.24,;-.59,-6.47,;-.59,-4.93,;.74,-4.16,;.74,.46,;.51,1.99,)|
BDBM136075 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cscn1 |c:25,t:9|
BDBM136076 CCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:32,t:8|
BDBM136077 Cc1cc(sn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
BDBM136078 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ncco1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136079 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cscn1)n1cnc(c1)C#C |c:3,5|
BDBM136080 Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1 |c:15,t:13|
BDBM136025 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3)C2=C1 |c:30,t:7|
BDBM136026 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:31,t:7|
BDBM136027 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1cncs1 |c:23,t:7|
BDBM136028 Fc1cncc(c1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(Cl)c1 |c:15,t:13|
BDBM136029 COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:34,t:10|
BDBM136030 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(C=C)cccc3C2=C1 |c:27,t:9|
BDBM136031 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1 |c:32,t:8|
BDBM136081 COC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:36,t:12|
BDBM136082 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3cnccn3)C2=C1 |c:30,t:7|
BDBM136083 OC1(COC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:36,t:12|
BDBM136084 Cc1cc(on1)-c1cccc2C3=C(C)C(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:12,15|
BDBM136085 Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:14,t:12|
BDBM136086 Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CCC1 |c:14,t:12|
BDBM136087 Cc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1coc(C)n1 |c:23,t:7|
BDBM136032 Cc1coc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
BDBM136033 Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
BDBM136034 CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1 |c:10,t:8|
BDBM136035 Fc1nccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136036 Fc1cccnc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1 |c:15,t:13|
BDBM136037 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cncs1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136038 Cc1ncc(s1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:14,t:12|
BDBM141501 Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
BDBM141502 Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
BDBM141503 Cc1ncc(s1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
BDBM141504 Cc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1ccncc1
BDBM141505 Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1 |r|
BDBM141506 Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
BDBM141507 Cc1cncc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
BDBM136091 Fc1ccc(cn1)-c1nccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136092 O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136093 O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(n1)C1CC1 |c:3,5|
BDBM136039 O=C1CN=C(C=C2N1CCc1c2cccc1-c1cnccn1)n1cnc(c1)C1CC1 |c:3,5|
BDBM136040 O=C1CN=C(C=C2N1CCc1c(cccc21)-c1nccs1)n1cnc(n1)C1CC1 |c:3,5|
BDBM136041 COCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccs1 |c:26,t:10|
BDBM136043 CCOCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccs1 |c:26,t:10|
BDBM136044 Fc1ccncc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:15,t:13|
BDBM136045 CCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C(C)C |c:9,t:7|
BDBM141508 Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
BDBM141509 Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1
BDBM141510 Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1ccnc(C)n1
BDBM136096 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |c:24,t:8|
BDBM136097 CC(C)(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1 |c:26,t:10|
BDBM136098 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C3(F)COC3)C2=C1 |c:30,t:8|
BDBM136099 CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)O |c:24,t:8|
BDBM136100 CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(C)c1 |c:10,t:8|
BDBM136101 CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:10,t:8|
BDBM136102 CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |r,c:26,t:10|
BDBM136046 CCCc1cccc2C3=CC(NCC(=O)N3CCc12)n1cnc(C)c1 |t:8|
BDBM136047 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:25,t:9|
BDBM136048 Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:23,t:7|
BDBM136103 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1=CCCC1 |c:25,t:9,28|
BDBM136104 COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C |c:25,t:9|
BDBM136105 CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10|
BDBM136106 CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10|
BDBM136107 O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1cnco1 |c:3,5|
BDBM136108 O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccno1 |c:3,5|
BDBM136109 O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1 |c:3,5|
BDBM136110 COc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8|
BDBM136111 FC(F)(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:26,t:10|
BDBM136112 O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccncc1 |c:3,5|
BDBM136113 CCC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:11,t:9|
BDBM136114 OC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:27,t:11|
BDBM136115 OCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9|
BDBM136116 OC(C1CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:28,t:12|
BDBM50067177 CN(C)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50067184 O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1
BDBM50047700 Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
BDBM50067170 FC(F)(F)c1ccccc1C(=O)Nc1nc2ccccc2[nH]1
BDBM50067171 CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1
BDBM50067172 Clc1cccc(c1)C(=O)Sc1nc2ccccc2[nH]1
BDBM50067173 FC(F)(F)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50083631 COc1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1C#N)C(=O)c1cc(n[nH]1)C(C)C
BDBM50083633 COc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1cccc(F)c1)c2C#N
BDBM158160 Brc1cnc2cc(nn2c1)C(=O)N1CCc2ccsc2CC1
BDBM158161 CCc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
BDBM158162 Brc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1
BDBM158164 Clc1cc2CCN(CCc2nn1)C(=O)c1cc2ncc(Br)cn2n1
BDBM158165 COCc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
BDBM158166 Cc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1
BDBM158167 Clc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1
BDBM158168 Brc1cnc2cc(nn2c1)C(=O)N1CCc2[nH]c(=O)sc2CC1
BDBM158169 CC(C)c1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
BDBM158170 Cc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Cl)cn2n1
BDBM158171 Brc1cnc2cc(nn2c1)C(=O)N1CCc2cccnc2CC1
BDBM158172 Cn1cnc2CCN(CCc12)C(=O)c1cc2ncc(Br)cn2n1
BDBM158173 Cn1c2CCN(CCc2sc1=O)C(=O)c1cc2ncc(Br)cn2n1
BDBM158174 Cn1c2CCN(CCc2c2ccccc12)C(=O)c1cc2ncc(Br)cn2n1
BDBM158175 CC(C)c1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Cl)cn2n1
BDBM158176 Clc1cnc2cc(nn2c1)C(=O)N1CCc2[nH]c(=O)sc2CC1
BDBM50067174 FC(F)(F)c1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50067175 COc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50067176 O=C(Nc1nc2ccccc2[nH]1)c1ccncc1
BDBM50067178 Clc1ccc(Cl)c(c1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50067179 FC(F)(F)c1ccc(c(c1)C(=O)Nc1nc2ccccc2[nH]1)C(F)(F)F
BDBM50067180 Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2[nH]1
BDBM50067181 Clc1cc(Cl)cc(c1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50067182 COc1cc(ccc1S(N)(=O)=O)C(=O)Nc1nc2ccccc2[nH]1
BDBM50067183 O=C(Nc1nc2ccccc2[nH]1)\C=C\c1ccncc1
BDBM50067185 O=C(Nc1nc2ccccc2[nH]1)C1CCC1
BDBM158158 Clc1ccc2CCN(CCc2n1)C(=O)c1cc2ncc(Br)cn2n1
BDBM158159 COc1ccc2CCN(CCc2n1)C(=O)c1cc2ncc(Br)cn2n1
BDBM50083263 Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1ccccn1 |r|
BDBM50083265 [O-][N+](=O)c1cccc(c1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 |r|
BDBM50083267 Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1cccc(F)c1 |r|
BDBM50083313 Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 |r|
BDBM50083315 Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl |r|
BDBM50083316 Fc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 |r|
BDBM50083317 Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 |r|
BDBM50083318 Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1 |r|
BDBM50071323 Cc1ccccc1C#Cc1ncn-2c1COc1ccccc-21
BDBM50071324 C1Oc2ccccc2-n2cnc(C#Cc3ccccc3)c12
BDBM50071326 Cc1cccc(n1)C#Cc1ncn-2c1COc1ccccc-21
BDBM50071327 C1Oc2ccccc2-n2cnc(C#Cc3cccnc3)c12
BDBM50071332 Cc1nc(C#Cc2ccccc2)c2COc3ccccc3-n12
BDBM50071333 Cc1nc(cn1-c1ccccc1)C#Cc1ccnc(C)c1
BDBM50071335 Cc1nc(cn1-c1ccc(cc1)C#N)C#Cc1ccnc(C)c1
BDBM50071367 Cc1nc(cn1-c1cccc(c1)S(C)(=O)=O)C#Cc1ccnc(C)c1
BDBM50083334 COc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 |r|
BDBM50083353 Fc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)cc1 |r|
BDBM50071368 Cc1nc(cn1-c1ccc(cc1)S(C)(=O)=O)C#Cc1ccnc(C)c1
BDBM50071369 Cc1nc(cn1-c1cccc(F)c1)C#Cc1ccnc(C)c1
BDBM50071371 Cc1nc(cn1-c1ccc(F)cc1F)C#Cc1ccnc(C)c1
BDBM50071372 Cc1nc(cn1-c1ccc(F)cc1)C#Cc1ccnc(C)c1
BDBM50071373 CN1Cc2c(ncn2-c2cccc(Cl)c2C1=O)C#Cc1ccccc1
BDBM50071374 Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
BDBM50071375 Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1
BDBM50071376 Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F |(1.89,3.88,;2.81,3.06,;4.31,3.38,;5.09,2.05,;6.62,1.89,;8.15,1.73,;9.68,1.58,;10.31,.17,;11.84,.01,;12.74,1.26,;12.12,2.66,;12.84,3.66,;10.58,2.82,;4.06,.91,;4.31,-.3,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;1.33,-.77,;2.4,-1.39,)|
BDBM50071377 CN1Cc2c(ncn2-c2ccc(F)cc2C1=O)C#Cc1ccccc1
BDBM50071378 Fc1ccc-2c(c1)-c1ncnn1Cc1c(ncn-21)C#Cc1ccccc1
BDBM50067169 Clc1ccccc1C(=O)Nc1nc2ccccc2[nH]1
BDBM50083632 COc1ccc(cc1)C(=O)N1CCc2c(C1)sc(NCc1ccc(F)cc1)c2C#N
BDBM158163 Cc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
BDBM50083264 [O-][N+](=O)c1ccc(cc1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 |r|
BDBM50083266 Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1cccc(Cl)c1 |r|
BDBM50083314 COc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 |r|
BDBM50083352 Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl |r|
BDBM50083354 Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1F |r|
BDBM50071322 Cc1cccc(c1)C#Cc1ncn-2c1COc1ccccc-21
BDBM50071325 Cc1ccc(cc1)C#Cc1ncn-2c1COc1ccccc-21
BDBM50071328 Cc1cc(ccn1)C#Cc1ncn-2c1COc1ccccc-21
BDBM50071334 Cc1nc(cn1-c1cccc(c1)C#N)C#Cc1ccnc(C)c1
BDBM50143059 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
BDBM50143060 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
BDBM50143061 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
BDBM50143062 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
BDBM50143063 Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
BDBM50134435 Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134436 Fc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)c(F)c1
BDBM50134437 Fc1ccc(cc1F)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134438 Cc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134439 COc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134440 O=C1N(CCn2nc(COc3ccccc3)cc12)c1ccccn1
BDBM50134441 O=C1N(CCn2nc(COc3ccccc3)cc12)c1cccnc1
BDBM50134442 O=C1N(CCn2nc(COc3ccccc3)cc12)c1ccncc1
BDBM50134443 Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134445 COc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134446 Fc1cnc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134448 Fc1ccc(cc1)N1CCn2nc(COc3cccc(F)c3)cc2C1=O
BDBM50134449 Fc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
BDBM50134455 Fc1ccc(cc1)N1CCn2nc(COc3ccccn3)cc2C1=O
BDBM50110219 Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccc(F)c(F)c2)c1
BDBM50110238 Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2cc(F)cc(F)c2)c1
BDBM50134473 Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)nc2C1=O
BDBM50134476 Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)c(Cl)c2C1=O
BDBM50134479 Fc1ccccc1N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50113341 Fc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
BDBM50113350 N#Cc1cccc(c1)-c1cc(ncn1)-n1cccn1
BDBM50113351 Fc1cccc(c1)-c1cc(ncn1)-n1cccn1
BDBM50113464 COc1cc(F)cc(c1)-c1cc(ncn1)-n1cccn1
BDBM50113465 NC(=O)c1cc(F)cc(c1)-c1cc(ncn1)-n1cccn1
BDBM50110188 Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccc(F)c3)oc2C1
BDBM50113466 Cc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
BDBM50113467 Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
BDBM50113469 Cc1cc(cc(c1)-c1cc(ccn1)-n1cccn1)C#N
BDBM50113470 Cc1cc(cc(c1)-c1ccnc(c1)-n1cccn1)C#N
BDBM50113471 Fc1cnn(c1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
BDBM50113473 Fc1c(Cl)cc(cc1-c1cc(ncn1)-c1ccccn1)C#N
BDBM50113475 Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(c1)C#N)C#N
BDBM50113477 Clc1cc(cc(c1)-c1cc(ncn1)-c1ccc(cn1)C#N)C#N
BDBM50113479 Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N
BDBM50113481 N#Cc1cccc(c1)-c1cc(ncn1)-c1ccncn1
BDBM50110190 Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccccc3F)oc2C1
BDBM50110191 Fc1ccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccc(F)cc2)cc1
BDBM50110239 Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2c(F)cccc2F)c1
BDBM50110240 O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1cc2ccccc2[nH]1
BDBM50110193 Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccccn3)oc2C1
BDBM50110195 Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccncc3)oc2C1
BDBM50110212 Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2cccc(F)c2)c1
BDBM50110242 O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1c[nH]c2ccccc12
BDBM50110218 Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2cccc(F)c2F)c1
BDBM50110243 Cn1cc(C(=O)N2CCc3nc(COc4ccccc4)oc3C2)c2ccccc12
BDBM50110244 O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2ccccc12
BDBM50110245 O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2cccnc12
BDBM50110246 O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2ccncc12
BDBM50110247 CC1N(CCc2nc(COc3ccccc3)oc12)C(=O)c1ccc(F)cc1
BDBM50110249 CC1Cc2nc(COc3ccccc3)oc2CN1C(=O)c1ccc(F)cc1
BDBM50110250 CC1(C)CN(Cc2oc(COc3ccccc3)nc12)C(=O)c1ccc(F)cc1
BDBM50107422 CCC[C@@H](NC(=O)c1ccccn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107423 CCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107424 CCC[C@@H](NC(=O)c1nc(C)cs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107426 CCC[C@@H](NC(=O)c1cocn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107427 CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cccnc2)c(Cl)c1 |r|
BDBM50107428 CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(OC)nc2)c(Cl)c1 |r|
BDBM50107429 CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(F)nc2)c(Cl)c1 |r|
BDBM50107430 CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1 |r|
BDBM50107431 CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)nc2)c(Cl)c1 |r|
BDBM50107432 Cc1ccc(Nc2ncc(cc2Cl)C2CCCN2C(=O)c2nccs2)cn1
BDBM50107435 CCCC(NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
BDBM50107452 CC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107531 CC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107532 CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107533 CCC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107534 CCCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107536 CC(C)[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107538 Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CC2)cn1 |r|
BDBM50107539 Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCC2)cn1 |r|
BDBM50107540 Cc1ccc(Nc2ncc(cc2Cl)[C@@H](NC(=O)c2nccs2)C2CCC2)cn1 |r|
BDBM50107585 Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCC2)cn1 |r|
BDBM50107586 Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCCC2)cn1 |r|
BDBM50107588 C\C=C\C[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50105803 [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
BDBM50105830 Cc1cccc(n1)C#C\C=C1\CCCN(C1)c1nc(C)ccc1[N+]([O-])=O
BDBM50105833 [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
BDBM50105837 [O-][N+](=O)c1ccccc1N1CCN(CC1)C(=O)C#Cc1ccccc1
BDBM50105840 [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
BDBM50105844 [O-][N+](=O)c1ccc(C=C)nc1N1CCN(CC1)C(=O)C#Cc1ccccc1
BDBM50107421 COC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107537 Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C(C)(C)C)cn1 |r|
BDBM50134444 Cc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50134447 Fc1ccc(cc1)N1CCn2nc(COc3ccccc3F)cc2C1=O
BDBM50134463 Fc1ccc(cc1)N1CCn2nc(COc3ccncc3)cc2C1=O
BDBM50134453 Cc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
BDBM50134457 Fc1ccc(cc1)N1CCn2nc(COc3cccnc3)cc2C1=O
BDBM50134464 Fc1ccc(cc1)N1CCn2nc(COc3ccc(F)cn3)cc2C1=O
BDBM50110194 Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccnc3)oc2C1
BDBM50110196 Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccccc2)c1
BDBM50134465 Fc1ccc(nc1)N1CCn2nc(COc3cccc(F)c3)cc2C1=O
BDBM50134466 Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
BDBM50134467 Fc1ccnc(c1)N1CCn2nc(OCc3ccccc3)cc2C1=O
BDBM50134469 Fc1ccc(cc1)N1CCCn2nc(COc3ccccc3)cc2C1=O
BDBM50134474 Cc1c(COc2ccccc2)nn2CCN(C(=O)c12)c1ccc(F)cc1
BDBM50134480 Fc1cccc(c1)N1CCn2nc(COc3ccccc3)cc2C1=O
BDBM50139451 Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1
BDBM50113316 Fc1ccc(cc1-c1cc(ncn1)-n1cccn1)C#N
BDBM196506 Fc1cccc(c1)C#CC12CCC(C1)(CCC2)NC(=O)c1cnccn1
BDBM196507 Clc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)C#Cc1cnccn1
BDBM196508 O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r|
BDBM196509 O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1cnccn1 |r|
BDBM196510 Cc1nccc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
BDBM196511 Fc1ccc(nc1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
BDBM196512 Fc1cccnc1C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1 |r|
BDBM196513 O=C(N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r|
BDBM196514 Cc1nccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
BDBM196515 Fc1ccc(nc1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
BDBM196516 Cn1ccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1ccccn1 |r|
BDBM196517 Cc1cccc(n1)C#C[C@]12CC[C@](C1)(CCC2)NC(=O)c1ccccn1 |r|
BDBM196518 Fc1cccnc1C#C[C@]12CC[C@](C1)(CCC2)NC(=O)c1cnccn1 |r|
BDBM196519 Cn1ccc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
BDBM196520 Cc1csc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
BDBM196521 Cc1nc(cs1)C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1cnccn1 |r|
BDBM196522 Cn1ccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
BDBM196523 Cc1csc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
BDBM196524 Cc1nc(cs1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)C#Cc1cnccn1 |r|
BDBM196525 Cc1cncc(n1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1cccc(F)c1)C2 |TLB:18:15:12:28.9.10,16:15:28:12.11.10,16:11:28:15.17.14,8:9:12:15.16.14,THB:17:15:12:28.9.10,17:9:12:15.16.14|
BDBM196526 Cc1cncc(n1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C#Cc1cccnc1 |TLB:9:10:13:16.17.18,20:17:13:10.11.15,THB:11:10:16:13.12.18,11:12:16:10.19.15,19:10:13:16.17.18,19:17:13:10.11.15|
BDBM196527 Fc1cncc(c1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C#Cc1cnccn1 |TLB:9:10:13:16.17.18,20:17:13:10.11.15,THB:11:10:16:13.12.18,11:12:16:10.19.15,19:10:13:16.17.18,19:17:13:10.11.15|
BDBM196528 O=C(NC12CC3CC(C1)CC(C3)(C2)C#Cc1ccccn1)c1cnccn1 |TLB:2:3:6:9.10.11,13:10:6:3.4.8,THB:4:3:9:6.5.11,4:5:9:3.12.8,12:3:6:9.10.11,12:10:6:3.4.8|
BDBM196529 Cc1ccc(cn1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1cnccn1)C2 |TLB:18:15:12:27.9.10,16:15:27:12.11.10,16:11:27:15.17.14,8:9:12:15.16.14,THB:17:15:12:27.9.10,17:9:12:15.16.14|
BDBM196530 Cc1csc(n1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1ccn(C)n1)C2 |TLB:15:14:26:11.10.9,15:10:26:14.16.13,7:8:11:14.15.13,17:14:11:26.8.9,THB:16:14:11:26.8.9,16:8:11:14.15.13|
BDBM50113468 Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N
BDBM50113472 Clc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
BDBM50113474 Cc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
BDBM50113476 Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
BDBM50113478 Clc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
BDBM50113480 Clc1cc(cc(c1)-c1cc(ncn1)-c1cccnn1)C#N
BDBM50116512 FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
BDBM50110241 Cn1c(cc2ccccc12)C(=O)N1CCc2nc(COc3ccccc3)oc2C1
BDBM50107395 Cc1ccc(Nc2ncc(cc2Cl)[C@@H](Cc2ccccc2)NC(=O)c2nccs2)cn1 |r|
BDBM50107425 CCC[C@@H](NC(=O)c1ncco1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107433 CCCN(Cc1cnc(Nc2ccc(C)nc2)c(Cl)c1)C(=O)c1nccs1
BDBM50107535 CC(C)[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
BDBM50107587 Cc1ccc(Nc2ncc(cc2Cl)[C@@H](CC=C)NC(=O)c2nccs2)cn1 |r|
BDBM50110189 O=C(N1CCc2nc(COc3ccccc3)oc2C1)c1n[nH]c2ncccc12
BDBM50110192 Fc1ccc(cc1)C(=O)N1CCc2nc(COc3ccc(F)c(F)c3)oc2C1
BDBM50110248 CC1(C)N(CCc2nc(COc3ccccc3)oc12)C(=O)c1ccc(F)cc1
BDBM50134468 CC(Oc1ccccc1)c1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
BDBM50143539 [H][C@@]12CC[C@@H](N1CCN(C2)c1nccnc1C#N)c1nnn(n1)-c1cccc(Cl)c1 |r|
BDBM50143538 [H][C@@]12CCC[C@H](C#Cc3cccc(c3)C#N)N1CCN(C2)c1ncccc1C#N |r|
BDBM50143541 C[C@@H](Oc1nnc(-c2cn[nH]c(=O)c2)n1C)c1nnn(n1)-c1cccc(C)c1 |r|
BDBM50143544 Fc1ccc-2c(SCc3c(nnn-23)C(=O)Nc2ccnc(Cl)c2)c1Cl
BDBM206000 Fc1ccc(cc1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM206001 Fc1ccccc1C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM206002 Fc1cccc(c1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM206003 Fc1ccc(cc1F)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM206004 Fc1cc(F)cc(c1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM206005 Fc1cccc(F)c1C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM206006 Fc1cccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)c1F
BDBM206007 Fc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)c(F)c1
BDBM206008 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccccc2)c1
BDBM206009 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cccc(F)c2)c1
BDBM206010 Fc1ccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)c(F)c1
BDBM206011 Fc1ccc(cc1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
BDBM206012 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(F)c(F)c2)c1
BDBM206013 Cc1cccnc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
BDBM206014 Cc1ccc(cn1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
BDBM206017 CC1(C)CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1ccc(F)cc1
BDBM206018 CC1N(CCn2nc(COc3ccccc3)cc12)C(=O)c1ccc(F)cc1
BDBM50105801 [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1-[#7+](-[#8-])=O
BDBM50105802 [#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
BDBM50105804 [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cc(Cl)cc(c1)C#N
BDBM50105805 [#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O
BDBM50105806 [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncc(cc1C#N)-c1ccccc1
BDBM50105829 Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O
BDBM206019 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ncccc2F)c1
BDBM206020 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ncc(F)cc2F)c1
BDBM206021 Cc1ncccc1C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
BDBM206022 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cncc(F)c2)c1
BDBM206023 Cc1cccc(n1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
BDBM206024 O=C(N1CCn2nc(COc3ccccc3)cc2C1)c1cccc(c1)C#N
BDBM206025 Fc1cc(cc(c1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1)C#N
BDBM206026 Fc1cc(ccc1C#N)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM50105831 [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1
BDBM50105832 [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccc1
BDBM50105834 [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
BDBM50105835 [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50105836 [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1cnc2ccccc2n1
BDBM50105838 CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5|
BDBM50105839 [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
BDBM50105841 [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)c1ccccc1-c1ccccc1
BDBM206027 Fc1ccc(cc1C#N)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM206028 Clc1cccnc1C(=O)N1CCn2nc(COc3ccccc3)cc2C1
BDBM206029 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cccc(c2)C#N)c1
BDBM206030 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cc(F)cc(c2)C#N)c1
BDBM206031 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(C#N)c(F)c2)c1
BDBM206032 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(F)c(c2)C#N)c1
BDBM206033 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2cnccn2)c1
BDBM206034 Cc1cnc(cn1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
BDBM50105842 Cc1ccc(c(n1)N1CCN(CC1)C(=O)c1cccc(c1)-c1ccccc1)[N+]([O-])=O
BDBM50105845 [#6]C1([#6])[#6]-[#7](-[#6]1=O)-c1ccc(cc1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
BDBM206035 Fc1cccc(OCc2cc3CN(CCn3n2)C(=O)c2ccnnc2)c1
BDBM206036 Cc1ncc(cn1)C(=O)N1CCn2nc(COc3cccc(F)c3)cc2C1
BDBM206037 Fc1ccc(OCc2cc3CN(CCn3n2)C(=O)c2ccc(F)cc2)cc1
BDBM206038 Fc1ccc(OCc2cc3CN(CCn3n2)C(=O)c2cccc(F)c2)cc1
BDBM206041 CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1cccc(F)c1
BDBM206042 CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1cccc(c1)C#N
BDBM206043 CC1CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1cc(F)cc(c1)C#N
BDBM206052 Fc1ccc(cc1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1C(F)(F)F
BDBM206053 CC(Oc1ccccc1)c1cc2CN(CCn2n1)C(=O)c1ccc(F)cc1
BDBM206054 Fc1ccc(cc1)C(=O)N1CCn2nc(COc3ccccc3)c(Cl)c2C1
BDBM206055 Fc1c(COc2ccccc2)nn2CCN(Cc12)C(=O)c1ccc(F)cc1
BDBM206056 Cc1c(COc2ccccc2)nn2CCN(Cc12)C(=O)c1ccc(F)cc1
BDBM206057 Nc1c(COc2ccccc2)nn2CCN(Cc12)C(=O)c1ccc(F)cc1
BDBM206058 COc1c(COc2ccccc2)nn2CCN(Cc12)C(=O)c1ccc(F)cc1
BDBM50121643 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
BDBM50139450 Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1
BDBM50145198 Cc1ccc(cc1-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1)C(C)(C)O
BDBM50160568 OCCSc1nc2CCCCc2c(NC2Cc3ccccc3C2)n1
BDBM50169542 Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
BDBM50169543 Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cncc(F)c1 |r|
BDBM50169544 O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cc(ccn1)C#Cc1ccccc1 |r|
BDBM50169541 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
BDBM50169480 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#Cc1ccccc1 |r|
BDBM50169457 COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#Cc1ccccc1 |r|
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
BDBM50169690 [H][C@@]12CC[C@@]([H])(CN1C(=O)c1ccon1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|
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|
BDBM50201539 N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1C1CC1)-c1ccccc1
BDBM50201563 CCCc1c(C#N)c(nc2[nH]nc(-c3ccccc3)c12)-c1ccccc1
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|
BDBM174271 O[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.49,4.51,;-6.15,3.74,;-4.66,4.14,;-4.27,2.65,;-5.75,2.26,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
BDBM174272 O[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,wD:18.21,1.0,(-7.49,4.51,;-6.15,3.74,;-5.75,2.26,;-4.27,2.65,;-4.66,4.14,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
BDBM174273 C[C@@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.1,wD:19.22,1.0,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
BDBM174275 FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1 |r|
BDBM174276 Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174277 COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174282 Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174284 Fc1cc(F)cc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174252 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCCC1 |r|
BDBM174255 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCC1 |r|
BDBM174257 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC1 |r|
BDBM174306 Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(F)c1 |r|
BDBM174331 FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1ccc(Cl)cc1 |r|
BDBM174391 Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(Cl)c1 |r|
BDBM174392 FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1Cl |r|
BDBM174258 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC1 |r|
BDBM174262 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOCC1 |r|
BDBM174263 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOC1 |r|
BDBM174264 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCO1 |r|
BDBM174265 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1COC1 |r|
BDBM174266 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174269 COC1(CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)OC |r|
BDBM174270 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(=O)C1 |r|
BDBM50207400 CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
BDBM50201537 N#Cc1c(cc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
BDBM50201538 COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
BDBM179971 C[C@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.0,wD:19.22,1.1,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
BDBM50201540 FC1(F)CC(C1)c1c(C#N)c(nc2[nH]nc(-c3cccc(Cl)c3)c12)-c1ccccc1
BDBM50201541 Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N
BDBM50201542 Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
BDBM50201543 Fc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
BDBM50201544 N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
BDBM50201546 Cn1nc(-c2ccccc2)c2c(-c3ccccc3)c(C#N)c(nc12)-c1ccccc1
BDBM50201547 c1ccc(cc1)-c1n[nH]c2nc(cc(-c3ccccc3)c12)-c1ccccc1
BDBM50201548 Clc1ccc(cc1)-c1nc2[nH]nc(-c3ccccc3)c2c(-c2ccccc2)c1C#N
BDBM50201549 N#Cc1c(nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1)C1CC1
BDBM50201550 CC(C)(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
BDBM50201551 CC(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
BDBM50201553 Cc1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
BDBM50201555 CC(C)(C)c1n[nH]c2nc(-c3ccccc3)c(C#N)c(CCC(F)(F)F)c12
BDBM50201556 Fc1ccc(cc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
BDBM50201557 FC(F)(F)c1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
BDBM50201558 Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
BDBM50201559 Clc1ccc(cc1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12
BDBM50201560 N#Cc1c(nc2[nH]cc(-c3ccccc3)c2c1-c1ccccc1)-c1ccccc1
BDBM50201561 Clc1cccc(c1)-c1nc2[nH]nc(-c3ccccc3)c2c(-c2ccccc2)c1C#N
BDBM50201562 N#Cc1c(nc2[nH]nc(C3CC3)c2c1-c1ccccc1)-c1ccccc1
BDBM292156 Cc1ccc(N)cc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292172 Nc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292173 COc1cc(c(F)cc1F)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292174 Fc1ncccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292175 COc1ccc(cn1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292176 Fc1ccc(cn1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292177 Cc1ccncc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292178 Fc1ccc(c(F)n1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292179 Clc1ccc(cn1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292180 Fc1cc(ccn1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292181 Clc1cnccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292182 Clc1ccc(cc1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292183 Cc1cc(F)ncc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292184 Cc1cc(cnc1F)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292185 Fc1ccc(nc1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292186 Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2F)c1
BDBM292187 COc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292189 Nc1ccccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292188 Oc1cc(ccc1F)-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292190 Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccncc2Cl)c1
BDBM292191 Cc1ccncc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292192 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2F)cc1
BDBM292193 Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292194 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccncc2Cl)cc1
BDBM292195 Cc1cccc(C)c1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292196 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)nc2)cc1
BDBM292197 Oc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2)cc1
BDBM292198 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2)cc1
BDBM292199 Fc1ccc(cc1)-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292200 Oc1cc(ccc1F)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292201 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccccc2)cc1
BDBM292202 Oc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292203 Oc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292205 Cc1ccccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292206 Cc1ccc(F)cc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292207 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccnc(F)c2)cc1
BDBM292208 Oc1ccccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292209 Cc1ccc(c(F)c1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292210 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(nc2)C(F)(F)F)cc1
BDBM292211 Nc1ccccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292212 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2Cl)cc1
BDBM292213 COc1cc(ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1)C#N
BDBM292214 COc1cc(Cl)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292215 Nc1cc(ccc1F)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292216 Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(F)nc2F)c1
BDBM292217 Cc1ccc(cc1N)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292218 Nc1cc(F)c(F)cc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292219 Cc1ccc(c(N)c1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292220 Nc1cc(Cl)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292221 Cc1ccc(N)c(c1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292222 Nc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292223 Cc1ccncc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292224 Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccnc(F)c2)c1
BDBM292225 Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(nc2)C(F)(F)F)c1
BDBM292226 Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(F)nc2)c1
BDBM292227 Fc1cccc(OCc2cn3cc(cnc3n2)-c2cccnc2F)c1
BDBM292228 Fc1ccc(OCc2cn3cc(cnc3n2)-c2cnc(F)c(F)c2)cc1
BDBM292229 COc1ccc(cc1N)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292230 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cn2)cc1
BDBM292231 COc1ccc(nc1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292157 Nc1cc(ccc1F)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292158 Fc1ccc(cc1Cl)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292232 Fc1ccc(OCc2cn3cc(cnc3n2)-c2cnccc2Cl)cc1
BDBM292233 Fc1ccc(OCc2cn3cc(cnc3n2)-c2cncc(Cl)c2)cc1
BDBM292234 COc1cncc(c1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292235 Oc1ccc(cn1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292236 Cc1cc(cnc1F)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292237 Cc1ccc(cn1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292238 Fc1ccc(nc1)-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292239 Fc1cccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2C(F)(F)F)c1
BDBM292159 CN(C)c1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292160 Fc1ccc(c(Cl)c1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292240 COc1cc(ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1)C#N
BDBM292241 OCc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292242 OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292243 CSc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292244 COc1cc(ccn1)-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292245 Cc1ccc(N)c(c1)-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292246 Nc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)c3)cn2c1
BDBM292162 Oc1cccc(c1)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292161 Oc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292163 Fc1ccc(-c2cnc3nc(COc4ccccc4)cn3c2)c(c1)C(F)(F)F
BDBM292164 Fc1ccc(cc1F)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292165 COc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292166 COc1cc(ccc1F)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292167 COc1cc(Cl)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292168 COc1cc(ccc1-c1cnc2nc(COc3ccccc3)cn2c1)C#N
BDBM292169 Fc1ccc(c2OCOc12)-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292170 OCc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292171 CSc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM300227 CC(C)(C)OC(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:14|
BDBM300228 Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)c1ccco1 |t:10|
BDBM300229 CCOC(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:12|
BDBM300230 CCN(C(C)C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:15|
BDBM300231 Cc1cccc(n1)C#CC1=NOC2C1CCN2C(=O)OC(C)(C)C |t:10|
BDBM300232 Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCOCC1 |t:10|
BDBM300233 CN(C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(Cl)c1 |c:12|
BDBM300234 Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCCC1 |t:10|
BDBM292333 Cc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2n1
BDBM292334 FC(F)(F)c1cc(Cl)ccc1-c1cnc2nc(COc3ccccn3)cn2n1
BDBM292335 Cc1cc(Cl)ccc1-c1cnc2nc(COc3ccccn3)cn2n1
BDBM292336 Cc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)n3)cn2n1
BDBM292337 Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2n1
BDBM292338 NC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292339 NC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccc3)cn2c1
BDBM292340 NC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292247 Fc1ccc(cc1)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292341 CC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292342 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2CCl)cc1
BDBM292343 FCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292344 FCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
BDBM292248 Cc1ccccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292249 COc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292250 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292251 Cc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292252 Fc1cccc(c1F)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292253 Cc1ccc(F)cc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292254 Cc1c(F)cccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292255 Fc1ccc(c2OCOc12)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292256 COc1cc(Cl)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292257 COc1c(F)cccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292258 Fc1ccc(-c2cnc3nc(COc4ccccn4)cn3c2)c(c1)C(F)(F)F
BDBM292259 Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
BDBM292260 CCc1ccccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292261 Cc1cc(F)ccc1-c1cnc2nc(COc3cc(F)ccn3)cn2c1
BDBM292262 Cc1ccc(c(F)c1)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292263 COc1cc(F)ccc1-c1cnc2nc(COc3cc(F)ccn3)cn2c1
BDBM292264 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2C(F)(F)F)nc1
BDBM292265 Fc1ccnc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2F)c1
BDBM292266 COc1c(F)cccc1-c1cnc2nc(COc3cc(F)ccn3)cn2c1
BDBM292267 Fc1ccnc(OCc2cn3cc(cnc3n2)-c2cccc(F)c2F)c1
BDBM292268 Fc1ccc(cc1)-c1cnc2nc(COc3cc(F)ccn3)cn2c1
BDBM300235 Clc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCC1 |t:10|
BDBM300236 Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)OC(C)(C)C |t:10|
BDBM300237 Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCC1 |t:10|
BDBM300238 Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCCCC1 |t:10|
BDBM300239 Cc1cccc(c1)C#CC1=NOC2C1CCN2C(=O)N1CCOCC1 |t:10|
BDBM300240 CCN(CC)C(=O)N1CCC2C1ON=C2C#Cc1cccc(C)c1 |c:14|
BDBM300241 CON(C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(C)c1 |c:13|
BDBM300242 CCOC(=O)N1CCC2C1ON=C2C#Cc1cccc(C)c1 |c:12|
BDBM292269 Cc1c(F)cccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
BDBM292270 Fc1ccnc(OCc2cn3cc(cnc3n2)-c2ccc(F)cc2C(F)(F)F)c1
BDBM292271 Cc1ccccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
BDBM292272 Cc1cc(Cl)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
BDBM292273 Cc1ccc(c(C)c1)-c1cnc2nc(COc3ccc(F)cn3)cn2c1
BDBM292274 Fc1ccc(cc1)-c1cnc2nc(COc3ccc(F)cn3)cn2c1
BDBM292275 FC(F)(F)c1ccc(cn1)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292276 Fc1ccc(OCc2cn3cc(cnc3n2)-c2ccc(nc2)C(F)(F)F)nc1
BDBM300243 Cc1cccc(n1)C#CC1=NOC2C1CCN2C(=O)N1CCCCC1 |t:10|
BDBM300244 Cc1cccc(n1)C#CC1=NOC2C1CCN2C(=O)N1CCOCC1 |t:10|
BDBM300245 CON(C)C(=O)N1CCC2C1ON=C2C#Cc1cccc(C)n1 |c:13|
BDBM300246 CCOC(=O)N1CCC2C1ON=C2C#Cc1cccc(C)n1 |c:12|
BDBM292277 Fc1ccc(nc1)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292278 Nc1cc(ccc1F)-c1cnc2nc(COc3ccc(F)cn3)cn2c1
BDBM292279 Nc1cc(ccc1F)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292280 OCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292281 COc1cc(ccc1-c1cnc2nc(COc3ccccn3)cn2c1)C#N
BDBM292282 COc1cc(ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1)C#N
BDBM292283 CSc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292284 OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
BDBM292285 N#Cc1ccc(cc1)-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292286 COCc1cc(F)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292287 OCc1cc(ccc1-c1cnc2nc(COc3ccccn3)cn2c1)C(F)(F)F
BDBM292288 CC(C)c1ccccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292289 FC(F)(F)c1cc(C=O)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292290 FC(F)(F)c1cc(Cl)ccc1-c1cnc2nc(COc3ccccn3)cn2c1
BDBM292291 Fc1ccc(cc1)-c1cnc2nc(COc3cccnc3)cn2c1
BDBM292292 COc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1
BDBM292293 Fc1ccc(c(F)c1)-c1cnc2nc(COc3cccnc3)cn2c1
BDBM292294 Cc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1
BDBM292295 Oc1cc(F)ccc1-c1cnc2nc(COc3cccnc3)cn2c1
BDBM292296 COc1cc(F)ccc1-c1cnc2nc(COc3ccncc3)cn2c1
BDBM292297 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccncc3)cn2c1
BDBM292298 Cc1ccccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
BDBM292299 Cc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
BDBM292300 COc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
BDBM292301 Oc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
BDBM292302 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccc(F)nc3)cn2c1
BDBM292303 Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)nc3)cn2c1
BDBM292304 Cc1cc(F)ccc1-c1cnc2nc(COc3cccnc3F)cn2c1
BDBM292305 Cc1cc(F)ccc1-c1cnc2nc(COc3cncc(Cl)c3)cn2c1
BDBM292306 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292307 Cc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292308 COc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292309 Fc1ccc(cc1)-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292310 Fc1cc(OCc2cn3cc(cnc3n2)-c2cccc(F)c2F)ccn1
BDBM292311 Fc1cc(OCc2cn3cc(cnc3n2)-c2ccccc2F)ccn1
BDBM292312 Oc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292313 Cc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292314 Oc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292315 OCc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292316 Fc1ccc(cc1)-c1cnc2nc(COc3cncc(F)c3)cn2c1
BDBM292317 Fc1ccc(cc1)-c1cnc2nc(COc3ccnc(Cl)c3)cn2c1
BDBM292318 Fc1ccc(-c2cnc3nc(COc4cncc(F)c4)cn3c2)c(c1)C(F)(F)F
BDBM292319 Fc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3c2)c(c1)C(F)(F)F
BDBM292320 Nc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
BDBM292321 Nc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
BDBM292322 OCc1cc(F)ccc1-c1cnc2nc(COc3cncc(F)c3)cn2c1
BDBM292323 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccc3)cn2n1
BDBM292324 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccncc3)cn2n1
BDBM292325 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccccn3)cn2n1
BDBM292326 Fc1ccc(cc1)-c1cnc2nc(COc3ccccn3)cn2n1
BDBM292327 Cc1ccccc1-c1cnc2nc(COc3ccccn3)cn2n1
BDBM292328 Fc1ccc(c(F)c1)-c1cnc2nc(COc3ccnc(F)c3)cn2n1
BDBM292329 Cc1cc(F)ccc1-c1cnc2nc(COc3ccnc(F)c3)cn2n1
BDBM292330 Cc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2n1
BDBM292331 Fc1ccc(-c2cnc3nc(COc4ccccn4)cn3n2)c(c1)C(F)(F)F
BDBM292332 Cc1c(F)cccc1-c1cnc2nc(COc3ccccn3)cn2n1