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433 SMILES Strings for 5α-Reductase 1 (5α-R1)

Compound NameSMILES String
BDBM50039286 [H][C@@]12CC[C@H](C(=O)OC3[C@@]4([H])C[C@]5([H])C[C@@]([H])(C[C@@]3([H])C5)C4)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CNC2=CC(=O)CC[C@]12C |wU:4.4,22.26,38.45,9.9,12.12,28.33,wD:18.19,15.15,1.0,26.30,t:37,TLB:21:9:20:15.17.14,21:15:20:8.9.11,THB:7:8:20:15.17.14,14:15:8:12.20.11,14:12:8:15.21.17,(6.48,-14.35,;6.48,-12.81,;7.93,-13.3,;8.85,-12.07,;7.96,-10.81,;8.36,-9.31,;7.26,-8.21,;9.84,-8.89,;10.94,-9.98,;12.28,-9.5,;12.32,-7.96,;11.25,-10.74,;11.25,-12.33,;11.18,-13.87,;12.66,-12.89,;13.69,-11.62,;15.14,-12.14,;12.28,-11.96,;10.95,-11.46,;9.52,-10.9,;9.75,-12.75,;13.69,-10.09,;6.5,-11.27,;6.48,-9.73,;5.18,-10.48,;3.82,-11.23,;3.81,-12.77,;3.81,-14.31,;5.13,-13.57,;5.13,-12.03,;5.14,-15.1,;3.8,-15.86,;2.46,-15.09,;1.15,-15.86,;-.18,-15.09,;-1.52,-15.86,;-.18,-13.55,;1.15,-12.77,;2.48,-13.55,;2.46,-12,)|
BDBM91713 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:8|
BDBM50031890 [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)C(O)=O |r,c:25,t:23|
BDBM50009101 OC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1
BDBM50025356 CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C |c:18|
BDBM50034130 CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CC
BDBM50034131 CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)C=C[C@]4(C)C3CC[C@]12C |c:16|
BDBM50034132 CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034133 CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034134 CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034135 CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCCCBr
BDBM50034136 CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)C=C[C@]4(C)C3CC[C@]12C |c:15|
BDBM50034137 CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034138 CN1[C@@H]2CCC3C4CC[C@H](N(C=O)C5CCCCC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50034139 CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034140 CN1[C@@H]2CCC3C4CC[C@H](N(Cc5ccccc5)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50034141 CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)c1ccccc1
BDBM50034142 CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50034143 CCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034144 CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034145 CN1[C@@H]2CCC3C4CC[C@H](N(C=O)C5CC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50034146 CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034147 CCN(CC)C(=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034148 CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(cc1)[N+]([O-])=O
BDBM50034149 CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50034150 COc1ccc(cc1)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C(C)C
BDBM50034151 CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCCC
BDBM50034153 CC(C)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034154 CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034155 CCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
BDBM50034156 CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034157 CN1[C@@H]2CCC3C4CC[C@H](N(C(=O)c5ccccc5)c5ccccc5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50034158 CN(C=O)[C@H]1CCC2C3CC=C4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C |t:10|
BDBM50034159 CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCC
BDBM50034161 COc1ccc(cc1)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)c1ccccc1
BDBM50034162 CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccccc1
BDBM50034163 CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50032762 CN1C2CCc3cc(Cl)ccc3[C@H]2CCC1=O
BDBM50032763 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(Br)c1 |c:12|
BDBM50032764 CN(C(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C)c1ccccc1 |c:15|
BDBM50032765 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(c1)-c1ccccc1 |c:12|
BDBM50032766 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CCC2C(=O)NC(c1ccccc1)c1ccccc1 |t:7|
BDBM50032767 Cc1ccccc1NC(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C |c:22|
BDBM50032768 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1N |c:12|
BDBM50032769 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)N(c1ccccc1)c1ccccc1 |c:12|
BDBM50032770 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(N)cc1 |c:12|
BDBM50032771 CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50032772 Cc1cccc(C)c1NC(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C |c:23|
BDBM50032773 Cc1ccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)cc1 |c:19|
BDBM50032774 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(F)c1 |c:12|
BDBM50032775 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)N1CCCCc2ccccc12 |c:12|
BDBM50032776 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1C(=O)c1ccccc1 |c:12|
BDBM50032778 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1 |c:12|
BDBM50032779 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)-c1ccccc1 |c:12|
BDBM50032780 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(N)c1 |c:12|
BDBM50032781 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(F)cc1 |c:12|
BDBM50032782 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(c1)C(F)(F)F |c:12|
BDBM50032783 Cc1cccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)c1 |c:20|
BDBM50032784 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1C(F)(F)F |c:12|
BDBM50032785 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc2ccccc12 |c:12|
BDBM50032786 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc2ccccc2c1 |c:12|
BDBM50032787 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(Cl)cc1 |c:12|
BDBM50032788 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1O |c:12|
BDBM50032789 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(Cl)c1 |c:12|
BDBM50032790 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1-c1ccccc1 |c:12|
BDBM50032791 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(O)cc1 |c:12|
BDBM50032792 COc1ccccc1NC(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C |c:23|
BDBM50032793 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1F |c:12|
BDBM50032794 COc1cccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)c1 |c:21|
BDBM50032795 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)n1ccc2ccccc12 |c:12|
BDBM50032796 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(c1)C(=O)c1ccccc1 |c:12|
BDBM50032797 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccccc1Cl |c:12|
BDBM50032798 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)N1CCCc2ccccc12 |c:12|
BDBM50032800 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(O)c1 |c:12|
BDBM50032801 COc1ccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)cc1 |c:20|
BDBM50032758 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)C(F)(F)F |c:12|
BDBM50032759 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |c:12|
BDBM50032760 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 |c:12|
BDBM50032761 CCN(C(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C)c1ccccc1 |c:16|
BDBM50031874 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1c(Cl)cccc1C(F)(F)F |c:12|
BDBM50031875 CC(C)(C)c1ccc(cc1)C1(CCCC1)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:26|
BDBM50031876 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 |c:12|
BDBM50031877 CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F |t:20|
BDBM50031878 CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4c(cccc4C(F)(F)F)C(C)(C)C)C3CN=C12 |t:39|
BDBM50031879 CC(C)(C)c1ccc(cc1)C1(CCCCC1)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:27|
BDBM50031880 CC(C)(C)c1cc(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)cc(c1)C(C)(C)C |t:16|
BDBM50031883 CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4c(cccc4C(F)(F)F)C(F)(F)F)C3CN=C12 |t:39|
BDBM50031884 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC1(CC1)c1ccc(Cl)cc1Cl |t:7|
BDBM50031885 CC(C)(C)c1ccc(Br)cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:21|
BDBM50031886 CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)-c1ccccc1 |t:20|
BDBM50031887 CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)-c1ccc(Cl)cc1 |t:20|
BDBM50031888 CC(C)(C)c1cc(Br)ccc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:21|
BDBM50031889 CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)N(C4CCCC4)c4ccc(Cl)cc4)C3CN=C12 |t:38|
BDBM50031891 CC(C)(C)c1ccccc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:20|
BDBM50031892 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1ccccc1 |t:7|
BDBM50031893 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCCC1)c1ccc(Cl)cc1 |t:7|
BDBM50031894 C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 |c:9,t:7|
BDBM50031895 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 |t:7|
BDBM50031896 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |t:7|
BDBM50031897 C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C1CCCC1)c1ccc(Cl)cc1 |t:7|
BDBM50031898 CC(C)(C)c1ccc(cc1)C1(CCCCCC1)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:28|
BDBM50031899 CC(C)(C)c1ccc(c(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)c1)C(C)(C)C |t:18|
BDBM50031900 CC(C)(C)c1ccc(cc1)-c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F |t:27|
BDBM50031901 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:7|
BDBM50031902 CC(C)(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:21|
BDBM50031903 CC(C)(C)c1ccc(cc1)-c1ccc(c(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)c1)C(C)(C)C |t:25|
BDBM50034507 CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4C(=S)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034508 CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4C(=O)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034509 CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4=C(Br)C(=O)CC[C@]4(C)C3CC[C@]12C |c:14|
BDBM50034511 CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C |c:14|
BDBM50039256 CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C(Br)=C12 |t:38,TLB:14:15:19:13.12.18,18:17:20:13.12.14,18:13:20:17.19.16,THB:14:13:19:15.20.16|
BDBM50039257 CC(C)CC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:12|
BDBM50039258 CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)C=C[C@]4(C)C3CC[C@]12C |c:19,t:15|
BDBM50039259 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:7|
BDBM50039260 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCNCC1 |t:7|
BDBM50039261 CN1CC2C3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:28|
BDBM50039262 CCN(CC)C(=O)[C@H]1CCC2C3CN(Cc4ccccc4)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:22|
BDBM50039263 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4CC(=O)C5CC5[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039264 CCN(CC)C(=O)[C@H]1CCC2C3CN(CC)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:16|
BDBM50039265 CCC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)N(CC)CC)C3CN=C12 |t:29|
BDBM50039266 COC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:10|
BDBM50039267 CCN(CC)C(=O)[C@H]1CCC2C3CCN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:14|
BDBM50039268 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 |t:7|
BDBM50039269 CC(C)(C)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)C5CC5[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039270 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4CC(=O)C(C)C[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039271 CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:15|
BDBM50039272 CCN(CC)C(=O)[C@H]1CCC2C3CN(C(C)=O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:17|
BDBM50039273 CC(C)CC(=O)[C@H]1CCC2C3CN=C4C(Br)C(=O)CC[C@]4(C)C3CC[C@]12C |t:12|
BDBM50039274 CCN(CC)C(=O)[C@H]1CCC2C3CN(C#N)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:16|
BDBM50039275 CC(C)(C)N(O)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:14|
BDBM50039276 CCCCCCCCC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:16|
BDBM50039277 CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)NC45CC6CC(CC(C6)C4)C5)C3CN=C12 |t:37,TLB:27:22:29:26.28.25,27:26:29:22.21.23,THB:25:24:21:26.28.27,25:26:21:24.29.23|
BDBM50039278 CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)C=CC(=O)C=C12 |c:33,t:37,TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:15:12:17.19.18,16:17:12:15.20.14|
BDBM50039279 CCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:30|
BDBM50039281 CCN(CC)C(=O)[C@H]1CCC2C3CN(CC(O)=O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:18|
BDBM50039282 CC(C)c1cc(C(C)C)c(C(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)c(c1)C(C)C |t:18|
BDBM50039283 CC(C)(C)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)C=C[C@]4(C)C3CC[C@]12C |c:18,t:13|
BDBM50039284 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCSCC1 |t:7|
BDBM50039285 CC(C)(C)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039287 CON(C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:12|
BDBM50039288 CN1CC2C3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:39|
BDBM50039289 CN1CC2C3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C(C)=C12 |t:29|
BDBM50039290 CCCCCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:33|
BDBM50039291 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039292 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4C(I)C(=O)CC[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039293 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCOCC1 |t:7|
BDBM50039294 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |t:7|
BDBM50039295 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1 |t:7|
BDBM50039296 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCCCC1 |t:7|
BDBM50039297 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4C(C)C(=O)C=C[C@]4(C)C3CC[C@]12C |c:19,t:13|
BDBM50039298 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1 |t:7|
BDBM50039299 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)CC1CCCCC1 |t:7|
BDBM50039300 CCCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:31|
BDBM50039301 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4C(CN(C)C)C(=O)CC[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039302 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(C1CCCCC1)C1CCCCC1 |t:7|
BDBM50039303 C[C@]12CCC3C(CN=C4CC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1 |c:12,t:7|
BDBM50039304 CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)NC(C)(C)C)C3CN=C12 |t:28|
BDBM50039305 CCCN1CC2C3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CCC2[C@@]2(C)C=CC(=O)C=C12 |c:37,t:41|
BDBM50039306 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4C(Br)C(=O)CC[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039307 CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)C5CC5[C@]4(C)C3CC[C@]12C |t:15|
BDBM50039308 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039309 CN1CC2C3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CCC2[C@@]2(C)C=CC(=O)C=C12 |c:24,t:28|
BDBM50039310 CCN(CC)C(=O)[C@H]1CCC2C3CN(C(C)C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:17|
BDBM50039311 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)c1cccc2ccccc12 |t:7|
BDBM50039312 CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C(C)=C12 |t:38,TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:15:12:17.19.18,16:17:12:15.20.14|
BDBM50039313 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)c1c(F)cccc1F |t:7|
BDBM50039314 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 |t:7,TLB:26:27:31:25.24.30,THB:26:25:31:27.32.28,28:29:24:27.32.26,28:27:24:29.31.30|
BDBM50039315 CC(C)CC(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:14|
BDBM50039316 CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)NC(c4ccccc4)c4ccccc4)C3CN=C12 |t:39|
BDBM50039317 C[C@]12CCC3C(CN=C4CC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 |c:12,t:7,TLB:30:29:32:25.24.26,30:25:32:29.31.28,THB:28:27:24:29.31.30,28:29:24:27.32.26|
BDBM50039318 CCCC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:11|
BDBM50039319 CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=C(C)C(=O)CC[C@]4(C)C3CC[C@]12C |c:15|
BDBM50039320 CCN(CC)C(=O)[C@H]1CCC2C3CCC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50039321 CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:37,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
BDBM50039322 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4CC(=O)C=C[C@]4(C)C3CC[C@]12C |c:18,t:13|
BDBM50039323 CCN(CC)C(=O)[C@H]1CCC2C3CN=C4C(C)C(=O)CC[C@]4(C)C3CC[C@]12C |t:13|
BDBM50039324 C[C@]12CCC3C(CN=C4C(Br)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 |t:7,TLB:27:28:32:26.25.31,31:30:33:26.25.27,31:26:33:30.32.29,THB:27:26:32:28.33.29|
BDBM50037911 CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC4N(C)C(=O)C=C[C@]4(C)C3CC[C@]12C |c:21|
BDBM50037912 CC(C)CCCC(C)C1CCC2C3CCC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50037913 CC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C
BDBM50037914 CC(C)CCCC(C)C1CCC2C3CC=C4NC(=O)CC[C@]4(C)C3CC[C@]12C |t:14|
BDBM50037915 CC[C@H]1CC2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C
BDBM50037916 CC(C)CCCC(C)C1CCC2C3[C@@H](C)C=C4NC(=O)CC[C@]4(C)C3CC[C@]12C |t:15|
BDBM50037917 CC[C@H]1C=C2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C |t:3|
BDBM50037918 CC[C@H]1C=C2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C |t:3|
BDBM50037919 CC(C)CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(=O)NC1=C[C@@H]3c1ccccc1 |c:28|
BDBM50037920 CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC4NC(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50037921 CCC[C@H]1CC2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C
BDBM50037922 CCN1C2C[C@H](C)C3C4CCC(C(C)CCCC(C)C)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50037923 CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50037924 CCC[C@H]1C=C2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C |t:4|
BDBM50037925 CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC4NC(=O)C=C[C@]4(C)C3CC[C@]12C |c:20|
BDBM50037926 CC(C)CCCC(C)C1CCC2C3[C@H](C=C4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccccc1 |t:14|
BDBM50037927 CCC[C@H]1C=C2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C |t:4|
BDBM50037928 CC(C)CCCC(C)C1CCC2C3[C@H](CC4NC(=O)CC[C@]4(C)C3CC[C@]12C)c1ccccc1
BDBM50037929 CCC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C
BDBM50037930 CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC4N(CC=C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50037931 CC(C)CCCC(C)C1CCC2C3[C@H](CC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccccc1
BDBM50037932 CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C |c:19|
BDBM50037933 CC(C)CCCC(C)C1CCC2C3[C@@H](C)C=C4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C |t:15|
BDBM50037934 CC(C)CCCC(C)C1CCC2C3CC=C4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C |t:14|
BDBM50043607 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:19.23,27.31,1.0,14.16,wD:25.35,29.32,23.27,t:7,THB:28:27:24:22.29.30,26:27:22:25.24.30,26:25:22:27.28.31,(3.55,-4.37,;3.55,-5.91,;2.22,-5.13,;.87,-5.89,;.85,-7.43,;2.18,-8.22,;2.18,-9.75,;.85,-10.51,;-.48,-9.74,;-1.81,-10.51,;-3.13,-9.74,;-4.47,-10.51,;-3.13,-8.2,;-1.81,-7.43,;-.48,-8.2,;-.48,-6.66,;3.52,-7.47,;4.98,-7.96,;5.91,-6.73,;5.02,-5.47,;5.51,-4,;4.49,-2.85,;7.03,-3.69,;7.68,-2.32,;9.26,-2.41,;10.44,-3.52,;10.04,-2.15,;8.55,-2.06,;7.98,-3.37,;8.24,-4.78,;9.78,-4.88,;7.35,-.8,)|
BDBM50043608 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |t:7,TLB:30:29:32:25.24.26,30:25:32:29.31.28|
BDBM50043610 CC(C)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:12|
BDBM50043611 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NCc1ccccc1 |t:7|
BDBM50043612 CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:15|
BDBM50043604 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O |c:15,t:13|
BDBM50043605 C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(Cc1ccccc1)Cc1ccccc1 |t:7|
BDBM50043606 CCN(C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:12|
BDBM50044876 CN1[C@@H]2CCc3ccccc3[C@H]2CCC1=O
BDBM50044877 CN1[C@H]2CCc3cc(F)ccc3[C@H]2CCC1=O
BDBM50044878 CN1[C@@H]2CCc3cc(C)ccc3[C@H]2CCC1=O
BDBM50044879 CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
BDBM50044880 Fc1ccc2C3=C(CCc2c1)NC(=O)CC3 |c:5|
BDBM50044881 CN1C(=O)CCC2=C1CCc1cc(Cl)ccc21 |c:6|
BDBM50044883 Fc1cccc2C3=C(CCc12)NC(=O)CC3 |c:6|
BDBM50044884 Fc1cccc2CCC3=C(CCC(=O)N3)c12 |t:8|
BDBM50044885 CN1[C@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
BDBM50044886 Clc1ccc2[C@H]3CCC(=O)N[C@@H]3CCc2c1
BDBM50044887 CC12CCC(=O)NC1=CCc1cc(Cl)ccc21 |c:8|
BDBM50044888 C[C@]12CCC(=O)N[C@@H]1CCc1cc(Cl)ccc21
BDBM50044889 O=C1CCC2=C(CCc3ccccc23)N1 |t:4|
BDBM50044890 Clc1ccc2C3=C(CCc2c1)NC(=O)CC3 |c:5|
BDBM50044891 CN1[C@@H]2CCc3cc(F)ccc3[C@H]2CCC1=O
BDBM50044892 COc1ccc2[C@H]3CCC(=O)N(C)[C@@H]3CCc2c1
BDBM50044893 CN1C(=O)CCC2(C)C1=CCc1cc(Cl)ccc21 |t:9|
BDBM50044894 Fc1ccc2CCC3=C(CCC(=O)N3)c2c1 |t:7|
BDBM50057295 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCN4[C@H]3CC[C@]12C |t:14|
BDBM50057289 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CCN34)[C@@H]1CCC2=O
BDBM50057292 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CCC2=O |t:8|
BDBM50057297 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CC[C@@H]2O |t:8|
BDBM50057498 OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
BDBM50057500 C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |t:7|
BDBM50057499 CN1C2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
BDBM50057503 CC(C)CCCC(C)[C@H]1CCC2C3CC=C4NC(=O)CC[C@]4(C)C3CC[C@]12C |t:14|
BDBM50057507 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1ccccc1 |c:12|
BDBM50057501 C[C@]12CCC(=CC1=CCc1cc(Cl)ccc21)C(O)=O |c:4,7|
BDBM50057447 CC(C)Cc1ccc(cc1)[C@H](C)Oc1ccc(cc1)C(=O)c1cn(CCCC(O)=O)c2ccccc12
BDBM50057451 CC(C)CCCC(C)[C@H]1CCC2C3[C@H](CC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccccc1
BDBM50057454 CCN1C2C[C@H](C)C3C4CC[C@H](C(C)CCCC(C)C)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50057458 CC(C)CCCC(C)[C@H]1CCC2C3CCC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50057460 CC(C)Cc1ccc(cc1)[C@@H](C)Oc1ccc(cc1)C(=O)c1cn(CCCC(O)=O)c2ccccc12
BDBM50057464 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1cccc(c1)-c1ccccc1 |c:12|
BDBM50057470 Cc1c(C(=O)c2ccc3OC(Oc3c2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccccc2n1CCCC(O)=O
BDBM50057473 CC(C)Cc1ccc(cc1)[C@]1(C)Oc2ccc(cc2O1)C(=O)c1cn(CCCC(O)=O)c2ccccc12
BDBM50057475 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1cccc2ccccc12 |c:12|
BDBM50057476 CN(C(=O)[C@H]1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C)c1ccccc1 |c:15|
BDBM50057477 CC(C)Cc1ccc(cc1)C(Nc1cccc(c1)C(=O)c1cn(CCCC(O)=O)c2ccccc12)c1ccc(CC(C)C)cc1
BDBM50057478 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F |c:12|
BDBM50057479 OC(=O)c1ccc-2c(CCc3cc(Br)ccc-23)c1
BDBM50057483 CCCc1ccc(OC(C)c2ccc(cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)cc1
BDBM50057484 CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)C3CN=C12 |t:39|
BDBM50057487 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |c:12|
BDBM50057490 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)N(c1ccccc1)c1ccccc1 |c:12|
BDBM50057492 C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)n1ccc2ccccc12 |c:12|
BDBM50070044 CN1[C@@H]2CCc3cc(\C=C\c4ccc5ccccc5n4)ccc3[C@@]2(C)CCC1=O
BDBM50070045 CN1[C@@H]2CCc3cc(CC(=O)Nc4ccccc4)ccc3[C@@]2(C)CCC1=O
BDBM50070046 CN1[C@@H]2CCc3cc(\C=C\c4cnc5ccccc5c4)ccc3[C@@]2(C)CCC1=O
BDBM50070047 CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)-c1ccco1
BDBM50070048 CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)-c1cccs1
BDBM50070049 CN1[C@@H]2CCc3cc(\C=C/c4ccccc4)ccc3[C@@]2(C)CCC1=O
BDBM50070050 CCN(CC)C(=O)Cc1ccc2c(CC[C@H]3N(C)C(=O)CC[C@]23C)c1
BDBM50070051 CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O
BDBM50070052 CN1[C@@H]2CCc3cc(CC(N)=O)ccc3[C@@]2(C)CCC1=O
BDBM50070054 CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)C#Cc1ccccc1
BDBM50070055 CN1[C@@H]2CCc3cc(\C=C\c4cncc5ccccc45)ccc3[C@@]2(C)CCC1=O
BDBM50070056 CN1[C@@H]2CCc3cc(CC(=O)NC(C)(C)C)ccc3[C@@]2(C)CCC1=O
BDBM50069235 OC(=O)CCCOc1ccccc1-c1cc2ccc(cc2o1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50069236 OC(=O)CCCOc1ccccc1-c1cc2cc(ccc2o1)C(=O)NC(c1ccccc1)c1ccccc1
BDBM50069237 OC(=O)CCCOc1ccccc1-c1cc2ccc(cc2o1)C(=O)NC(c1ccccc1)c1ccccc1
BDBM50069239 COc1ccc(cc1)C(NC(=O)c1ccc2cc(oc2c1)-c1ccccc1OCCCC(O)=O)c1ccc(OC)cc1
BDBM50072189 CC(C)(C)NC(=O)[C@@H]1CCC2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |c:23,t:14|
BDBM50072190 CC1C(=O)CC[C@@]2(C)C1=NCc1cc(Cl)ccc21 |t:9|
BDBM50072191 O=C1CCN2C(CCc3ccccc23)=C1 |c:15|
BDBM50072192 O=C1CC2CCc3ccccc3N2C=C1 |c:15|
BDBM50078264 OC(=O)c1ccc(cc1)-c1ccc2n(CC3CCCCC3)ccc2c1
BDBM50078265 OC(=O)c1ccc(cc1)-c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1
BDBM50078266 CCCC(CCC)n1ccc2cc(ccc12)-c1ccc(cc1)C(O)=O
BDBM50085562 Clc1ccc2N3C=CC(=O)C[C@@H]3CCc2c1 |c:6|
BDBM50085563 C[C@@H]1C[C@H]2CC(=O)C=CN2c2ccc(Cl)cc12 |c:7|
BDBM50085564 Clc1ccc2N3CCC(=O)C=C3CCc2c1 |c:10|
BDBM50085565 C[C@H]1Cc2cc(Cl)ccc2N2CCC(=O)C=C12 |t:16|
BDBM50085566 C[C@H]1Cc2cc(Cl)ccc2N2C=CC(=O)C[C@H]12 |c:12|
BDBM50085567 C[C@@H]1CC2=CC(=O)CCN2c2ccc(Cl)cc12 |t:3|
BDBM50091702 CN1CC(CCC1=O)c1ccccc1
BDBM50091703 CN1[C@@H]2CCc3ccccc3[C@H]2CCC1=S
BDBM50091704 CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc21 |t:9|
BDBM50091705 CN1C(=S)CC[C@@]2(C)C1=CCc1cc(Cl)ccc21 |t:9|
BDBM50091706 OC(=O)c1ccc-2c(CCc3cc(\C=C\c4ccccc4)ccc-23)c1
BDBM50091707 CN1CC(CCC1=O)c1ccc(\C=C\c2ccccc2)cc1
BDBM50091708 CN1[C@@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=S
BDBM50091709 CN1CC(CCC1=O)c1ccc(Cl)cc1
BDBM50091710 CN1CC(CCC1=O)c1ccc(cc1)\N=N\c1ccccc1
BDBM50091711 CN1CC(CCC1=S)c1ccc(Cl)cc1
BDBM50094189 CC12CCC3C(CC=C4CC(=O)CCC34C)C1CCC2CC1CN1 |t:7|
BDBM50093590 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8|
BDBM50093591 CC(N=O)C1=CC=C2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:4,6,11|
BDBM50093592 CC(CC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)N=O |t:10|
BDBM50093594 CC(N=O)[C@H]1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:11|
BDBM50093595 CC(N=O)[C@H]1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C |t:12|
BDBM50093598 CC(CC1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)N=O |t:11|
BDBM50093600 CC(N=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |t:4,11|
BDBM50092485 CC1=C2CCc3cc(Cl)ccc3N2CCC1=O |c:1|
BDBM50092486 Cc1c2CCc3ccccc3-n2ccc1=O
BDBM50092487 CC1C2CCc3cc(Cl)ccc3N2C=CC1=O |c:15|
BDBM50092488 CC1C2CCc3cc(C)ccc3N2C=CC1=O |c:15|
BDBM50092489 CC1CC2=CC(=O)CCN2c2ccc(Cl)cc12 |t:3|
BDBM50092490 CC1CC2=CC(=O)CCN2c2ccc(C)cc12 |t:3|
BDBM50092491 C[C@@H]1CC2CC(=O)C=CN2c2ccc(Cl)cc12 |c:7|
BDBM50092492 CC1=C2CCc3cc(C)ccc3N2CCC1=O |c:1|
BDBM50092493 C[C@H]1C2CCc3ccccc3N2C=CC1=O |c:14|
BDBM50092494 C[C@H]1C2CCc3cc(C)ccc3N2C=CC1=O |c:15|
BDBM50092495 Clc1ccc2N3C=CC(=O)CC3CCc2c1 |c:6|
BDBM50092496 CC1Cc2cc(Cl)ccc2-n2ccc(=O)cc12
BDBM50092497 Cc1ccc2N3CCC(=O)C=C3CCc2c1 |c:10|
BDBM50092498 CC1CC(=O)C=C2CCc3cc(Cl)ccc3N12 |t:5|
BDBM50092499 CC1Cc2cc(Cl)ccc2N2CCC(=O)C=C12 |t:16|
BDBM50092500 CC1Cc2cc(Cl)ccc2N2CCC(=O)C(C)=C12 |t:17|
BDBM50092502 CC1=C2CCc3ccccc3N2CCC1=O |c:1|
BDBM50092503 CC1CC2=C(C)C(=O)CCN2c2ccc(C)cc12 |c:3|
BDBM50092504 Cc1ccc2N3C=CC(=O)CC3CCc2c1 |c:6|
BDBM50092505 CC1C2CCc3ccccc3N2C=CC1=O |c:14|
BDBM50092506 CC1CC2=C(C)C(=O)CCN2c2ccc(Cl)cc12 |c:3|
BDBM50092507 C[C@H]1Cc2cc(Cl)ccc2N2C=CC(=O)CC12 |c:12|
BDBM50103875 CC(C)(Oc1ccc2ccc(=O)oc2c1CC=C)C=C
BDBM50103876 CC(C)(Oc1ccc2ccc(=O)oc2c1)C=C
BDBM50103877 Oc1cc2oc(=O)ccc2cc1CC=C
BDBM50103878 CC(=O)Oc1ccc2ccc(=O)oc2c1CC=C
BDBM50103879 C=CCc1c(OC(=O)Nc2ccccc2)ccc2ccc(=O)oc12
BDBM50103880 C=CCc1c(OC(=O)c2ccccc2)ccc2ccc(=O)oc12
BDBM50103881 Oc1ccc2ccc(=O)oc2c1CC=C
BDBM50116418 [#8]-[#6](=O)-[#6]-c1ccc(\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1
BDBM50116420 [#8]-[#6](=O)-c1cccc(\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6](-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c1
BDBM50116425 OC(=O)c1ccc(OC2CCN(CC2)C(=O)C(c2ccccc2)c2ccccc2)cc1
BDBM50128544 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cnc2ccccc12 |c:21,t:8|
BDBM50149329 CCc1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:12|
BDBM50149335 CC1=C2CCc3cc(C=C)ccc3N2CCC1=O |c:1|
BDBM50149338 COc1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:12|
BDBM50149345 COC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:14|
BDBM50149319 CC1=C2CCc3cc(OCc4ccc(cc4C(F)(F)F)C(F)(F)F)ccc3N2CCC1=O |c:1|
BDBM50149320 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OC(C)(C)C |c:1|
BDBM50149321 CC1=C2CCc3cc(OCc4ccccc4)ccc3N2CCC1=O |c:1|
BDBM50149322 CC1=C2CCc3cc(ccc3N2CCC1=O)-c1cccnc1 |c:1|
BDBM50149323 COC(=O)c1cccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)c1 |c:22|
BDBM50149324 CC1=C2CCc3cc(\C=C/c4ccccc4)ccc3N2CCC1=O |c:1|
BDBM50149325 CC1=C2CCc3cc(OCc4ccc(cc4)C(F)(F)F)ccc3N2CCC1=O |c:1|
BDBM50149326 CC1=C2CCc3cc(ccc3N2CCC1=O)-c1cccs1 |c:1|
BDBM50149327 CC1=C2CCc3cc(\C=C\c4ccccc4)ccc3N2CCC1=O |c:1|
BDBM50149328 CC1=C2CCc3cc(OCc4cc(ccc4C(F)(F)F)C(F)(F)F)ccc3N2CCC1=O |c:1|
BDBM50149330 COC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:21|
BDBM50149331 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1 |c:1|
BDBM50149332 CC1=C2CCc3cc(OCc4ccc(Cl)cc4)ccc3N2CCC1=O |c:1|
BDBM50149333 CC1=C2CCc3cc(ccc3N2CCC1=O)-c1ccco1 |c:1|
BDBM50149334 CC1=C2CCc3cc(OCc4ccccc4Cl)ccc3N2CCC1=O |c:1|
BDBM50149336 CC(C)OC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:16|
BDBM50149337 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(C)(C)C |c:1|
BDBM50149339 CC1=C2CCc3cc(ccc3N2CCC1=O)C#Cc1ccccc1 |c:1|
BDBM50149340 CC1=C2CCc3cc(OCc4cccc(Cl)c4)ccc3N2CCC1=O |c:1|
BDBM50149341 CC1=C2CCc3cc(Br)ccc3N2CCC1=O |c:1|
BDBM50149342 CCOC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:15|
BDBM50149343 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OCc1ccccc1 |c:1|
BDBM50149344 CC1=C2CCc3cc(ccc3N2CCC1=O)-c1ccccc1 |c:1|
BDBM50149346 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(C)cc1 |c:1|
BDBM50157218 CCCNC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:23|
BDBM50157219 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(F)c1 |c:1|
BDBM50157220 CC(=O)Nc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:21|
BDBM50157221 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1F |c:1|
BDBM50157222 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(N)=O |c:1|
BDBM50157223 COc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:19|
BDBM50157224 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(=O)NC(C)(C)C |c:1|
BDBM50157225 CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:24|
BDBM50157226 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(F)cc1 |c:1|
BDBM50157227 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OCCCO |c:1|
BDBM50157228 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Nc1ccc(C)cc1 |c:1|
BDBM50157229 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(F)(F)F |c:1|
BDBM50157230 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(c1)C(F)(F)F |c:1|
BDBM50157231 CCOc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:20|
BDBM50157232 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(N)cc1 |c:1|
BDBM50157233 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1C(F)(F)F |c:1|
BDBM50157234 CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(Cl)cc1 |c:1|
BDBM50219342 CCN(CC)C(=O)Oc1ccc(cc1)C(CC)(CC)c1ccc(cc1)N(C)C(C)=O
BDBM50219343 CCC(CC)(c1ccc(OC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)c1ccc(cc1)N(C)C(C)=O
BDBM50219344 CCC(CC)(c1ccc(OC(=O)N(C(C)C)C(C)C)cc1)c1ccc(cc1)N(C)C(C)=O
BDBM50219345 CCC(CC)(c1ccc(OC(=O)N2CCCCC2)cc1)c1ccc(cc1)N(C)C(C)=O
BDBM50219346 CCC(CC)(c1ccc(OC(=O)N2CCCCCC2)cc1)c1ccc(cc1)N(C)C(C)=O
BDBM50219347 CCCN(CCC)C(=O)Oc1ccc(cc1)C(CC)(CC)c1ccc(cc1)N(C)C(C)=O
BDBM50334788 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18|
BDBM50369334 C[C@]12CCC3=C4C(=O)CCN=C4CCC3[C@@H]1CCC2=O |r,c:4,10|
BDBM50369335 CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14|
BDBM50368906 CC(C)CCCC(C)[C@H]1CCC2C3[C@@H](C)CC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50369336 C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CCC2=O |r,c:3,t:8|
BDBM50368883 COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@](C)(CO)[C@@](C)(O)[C@](C)(O)[C@@]3(C)O[C@]3(C)OC(C)(C)[C@](C)(O)[C@@](C)(O)[C@H]3O)cc2O)cc1O |r|
BDBM50368782 CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
BDBM50391268 CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC[C@H]4C=C(CC[C@]4(C)C3CC[C@]12C)[N+]([O-])=O |c:17|
BDBM50407405 C[C@]12CC[C@H]3[C@@H](CN=C4C(Cl)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1c(cccc1C(F)(F)F)C(F)(F)F |t:7|
BDBM50407305 COc1cc2cc(C(O)=O)n(C)c2cc1OCc1ccccc1
BDBM50407309 Cn1c(cc2cc(OCc3ccccc3)ccc12)C(O)=O
BDBM50407310 COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O
BDBM50403605 OC(=O)c1ccc-2c(Cc3ccccc-23)c1
BDBM50403606 CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(O)=O
BDBM50403607 OC(=O)c1ccc-2c(CCc3ccccc-23)c1
BDBM50403608 C[C@]12CCC(CC1=CCc1cc(Cl)ccc21)P(=O)=O |c:7|
BDBM50403609 COc1cccc2c1CC[C@H]1C=C(CC[C@]21C)[N+]([O-])=O |c:12|
BDBM50403610 CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4C=C(CC[C@]4(C)C3CC[C@]12C)P(=O)=O |c:15|
BDBM50403611 OC(=O)c1ccc-2c(CCc3cc(Cl)ccc-23)c1
BDBM50403612 COc1cccc2c1CC[C@H]1[C-]([N+]#N)C(=O)CC[C@]21C
BDBM50403323 COc1cccc2c1CC=C1C=C(CCC21C)P(O)O |c:12,t:10|
BDBM50403324 CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)P(O)O |c:17,t:15|
BDBM50403325 CC12CCC(=CC1=CCc1cc(Cl)ccc21)P(O)O |c:4,7|
BDBM50403326 COc1cccc2c1CC=C1C=C(CCC21C)C(O)=O |c:12,t:10|
BDBM50403248 CN1[C@H]2CCc3cc(Cl)ccc3[C@@]2(C)CCC1=O
BDBM50403171 CN1C2CCc3cc(Br)ccc3C2CCC1=O
BDBM50403172 CN1C2CCc3cc(ccc3C2CCC1=O)C(F)(F)F
BDBM50403173 CN1C(=O)CCC2=C1CCc1ccccc21 |c:6|
BDBM50403174 CN1C2CCc3cc(F)ccc3C2(C)CCC1=O
BDBM50403175 CN1C2CCc3cc(I)ccc3C2CCC1=O
BDBM50403176 CN1C(=O)CCC2=C1CCc1cc(C)ccc21 |c:6|
BDBM50403177 CN1C(=O)CCC2=C1CCc1cc(F)ccc21 |c:6|
BDBM50403178 CN1C(=O)CCC2=C1CCc1cc(Br)ccc21 |c:6|
BDBM50403179 CN1C2CCc3ccccc3C2(C)CCC1=O
BDBM50141090 [H][C@@]12CCC(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)c1nnn[nH]1 |r,c:21,t:19|
BDBM243078 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccccc3)C1CCC2=O |r,t:7|
BDBM243079 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(F)cc3)C1CCC2=O |r,t:7|
BDBM243080 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(Cl)cc3)C1CCC2=O |r,t:7|
BDBM243081 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(Br)cc3)C1CCC2=O |r,t:7|
BDBM243082 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(I)cc3)C1CCC2=O |r,t:7|
BDBM243083 Cc1ccc(cc1)C(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1 |r,c:30|
BDBM243084 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccccc3)C1CC(C=O)=C2Cl |r,c:32,t:7|
BDBM243085 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(F)cc3)C1CC(C=O)=C2Cl |r,c:33,t:7|
BDBM243086 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(Cl)cc3)C1CC(C=O)=C2Cl |r,c:33,t:7|
BDBM243087 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(Br)cc3)C1CC(C=O)=C2Cl |r,c:33,t:7|
BDBM243088 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(I)cc3)C1CC(C=O)=C2Cl |r,c:33,t:7|
BDBM243089 Cc1ccc(cc1)C(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C=O)=C4Cl)C3CC=C2C1 |r,c:25,32|