390 SMILES Strings for 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase

Compound Name
SMILES String
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)cc4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ccc(C(F)(F)F)cc4)CC3)C2)C1
O=S1(=O)CC2(CCN(C3CCN(c4ccc(C(F)(F)F)cc4)CC3)C2)C1
O=S1(=O)CC2(CCN(C3CCN(c4ccc(C(F)(F)F)nc4)CC3)C2)C1
O=S1(=O)CC2(CCN(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)C2)C1
Cc1cc(C(F)(F)F)cnc1N1CCC(N2CCC3(C2)CS(=O)(=O)C3)CC1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN([C@H]3CCN(c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@@H]3CCN(c4ccc(C(F)(F)F)nc4)C3)C2)C1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@@H](c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@H](c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cc(C(F)(F)F)nn4C4CC4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4cc(C(F)(F)F)nn4C4CC4)CC3)C2)C1
CC(C)n1nc(-c2cncc(C(F)(F)F)c2)cc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2cncc(C(F)(F)F)c2)cc1[C@@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2cncc(C(F)(F)F)c2)cc1[C@@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2cncc(C(F)(F)F)c2)cc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)nc4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ccc(C(F)(F)F)nc4)CC3)C2)C1
CCn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CCn1nc([C@H]2CC[C@H](N3CCC4(C3)CS(=O)(=O)C4)CC2)cc1C(F)(F)F
CC(C)n1nc(-c2ccc(C(F)(F)F)nc2)nc1[C@@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)nc2)nc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)nc2)nc1[C@@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)nc2)nc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C2CC2)nc1[C@@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C2CC2)nc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C2CC2)nc1[C@@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C2CC2)nc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
O=S1(=O)CC2(CCN([C@@H]3CO[C@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CO[C@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CO[C@@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@@H]3CO[C@@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1
CC(C)n1cc(C(F)(F)F)nc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1cc(C(F)(F)F)nc1[C@@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1cc(C(F)(F)F)nc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1cc(C(F)(F)F)nc1[C@@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
Cc1cc(C(F)(F)F)ncc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
Cc1cc(C(F)(F)F)ncc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN([C@@H]3CCCN(c4ccc(C(F)(F)F)cc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CCCN(c4ccc(C(F)(F)F)cc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4cc(C(F)(F)F)nn4C4CCC4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cc(C(F)(F)F)nn4C4CCC4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cc(C(F)(F)F)n(C5CCC5)n4)CC3)C2)C1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@@H](N2CCC3(CC2)CS(=O)(=O)C3)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC3(CC2)CS(=O)(=O)C3)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CC[C@@]3(CCS(=O)(=O)C3)C2)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CC[C@]3(CCS(=O)(=O)C3)C2)CC1
Cc1cc(C(F)(F)F)ncc1N1CCC(N2CCC3(C2)CS(=O)(=O)C3)CC1
Cc1nc(C(F)(F)F)ccc1N1CCC(N2CCC3(C2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN(C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)C2)C1
Cc1cc(F)cnc1N1CCC(N2CCC3(C2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)C2)C1
CC(C)n1nc(-c2cncc(OC(F)F)c2)cc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CC(C)n1nc(-c2cncc(OC(F)F)c2)cc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CC(C)n1nc(N2CC(F)(F)C2)cc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CCn1nc(-c2ccc(C(F)(F)F)nc2)nc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CCn1nc(-c2ccc(C(F)(F)F)nc2)nc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@@H](N2CC[C@]3(CCS(=O)(=O)C3)C2)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@@H](N2CC[C@@]3(CCS(=O)(=O)C3)C2)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CC[C@]3(CCS(=O)(=O)C3)C2)CC1
Cn1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CC[C@@]3(CCS(=O)(=O)C3)C2)CC1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4cc(C(F)(F)F)nn4C4CC4)CC3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cc(C(F)(F)F)nn4C4CC4)CC3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4nc(-c5cccc(C(F)(F)F)n5)nn4C4CC4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@@H](c4nc(-c5cccc(C(F)(F)F)n5)nn4C4CC4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@H](c4nc(-c5cccc(C(F)(F)F)n5)nn4C4CC4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4nc(-c5cccc(C(F)(F)F)n5)nn4C4CC4)C3)CC2)C1
CCn1nc(-c2ccc(C(F)(F)F)nc2)nc1[C@H]1CC[C@@H](N2CCC3(CC2)CS(=O)(=O)C3)CC1
CCn1nc(-c2ccc(C(F)(F)F)nc2)nc1[C@H]1CC[C@H](N2CCC3(CC2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN(C3CCN(c4ncc(C(F)(F)F)cc4C4CC4)CC3)C2)C1
O=S1(=O)CC2(CCN(C3CCN(c4ncc(F)cc4C(F)(F)F)CC3)C2)C1
CC(C)n1nc(-c2cccc(C(F)(F)F)n2)cc1[C@@H]1CC[C@@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2cccc(C(F)(F)F)n2)cc1[C@@H]1CC[C@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2cccc(C(F)(F)F)n2)cc1[C@H]1CC[C@@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2cccc(C(F)(F)F)n2)cc1[C@H]1CC[C@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
Cc1cc(C(F)(F)F)cnc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
Cc1cc(C(F)(F)F)cnc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ncc(C(F)(F)F)cc4Cl)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ncc(C(F)(F)F)cc4Cl)CC3)C2)C1
Cc1nc(C(F)(F)F)ccc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
Cc1nc(C(F)(F)F)ccc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)CC2)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)cc2)nc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)cc2)nc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)cc2)nc1[C@@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)cc2)nc1[C@@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
O=S1(=O)CC2(CCN([C@@H]3CCC[C@H](c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@@H]3CCC[C@@H](c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CCC[C@@H](c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CCC[C@H](c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@@H]3CCCN(c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CCCN(c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@@H]3CCC[C@H](c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CCC[C@H](c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CCC[C@@H](c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@@H]3CCC[C@@H](c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@@H](c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@@H](c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@@H]3CC[C@H](c4ccc(C(F)(F)F)nc4)C3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)nc4)C3)CC2)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)cc2)nc1[C@H]1CC[C@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
CC(C)n1nc(-c2ccc(C(F)(F)F)cc2)nc1[C@H]1CC[C@@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ncc(C(F)(F)F)cc4F)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccnc(C(F)(F)F)c4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ccnc(C(F)(F)F)c4)CC3)C2)C1
CC(C)n1nc(C(F)(F)F)cc1[C@@H]1CCC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CCC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@@H]1CCC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CCC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4cccc(C(F)(F)F)n4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cccc(C(F)(F)F)n4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cncc(C(F)(F)F)c4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4cncc(C(F)(F)F)c4)CC3)C2)C1
CCc1nc(C(F)(F)F)ccc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CCc1nc(C(F)(F)F)ccc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CC(C)c1nc(C(F)(F)F)ccc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CC(C)c1nc(C(F)(F)F)ccc1[C@H]1CC[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN([C@@H]3CCCN(c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CCCN(c4ccc(C(F)(F)F)nc4)C3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(C(F)F)nc4)CC3)C2)C1
O=S1(=O)CC[C@@]2(CCCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)cn4)CC3)C2)C1
O=S1(=O)CC[C@@]2(CCCN([C@H]3CC[C@@H](c4cc(C(F)(F)F)nn4C4CC4)CC3)C2)C1
O=S1(=O)CC[C@@]2(CCCN([C@H]3CC[C@H](c4cc(C(F)(F)F)nn4C4CC4)CC3)C2)C1
O=S1(=O)CC[C@]2(CCCN([C@H]3CC[C@@H](c4cc(C(F)(F)F)nn4C4CC4)CC3)C2)C1
O=S1(=O)CC[C@]2(CCCN([C@H]3CC[C@H](c4cc(C(F)(F)F)nn4C4CC4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(F)c(F)c4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ccc(F)c(F)c4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4cnc(C(F)(F)F)c(F)c4)CC3)C2)C1
CC(C)(C)n1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)CC1
CC(C)(C)n1nc(C2CC2)nc1[C@@H]1CC[C@H](N2CCC3(C2)CS(=O)(=O)C3)C1
CC(C)(C)n1nc(C2CC2)nc1C1CCC(N2CCC3(C2)CS(=O)(=O)C3)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)nc4C4CC4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(F)c(F)c4)CC3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ccc(F)c(F)c4)CC3)CC2)C1
CC(C)n1nc(C(F)(F)F)cc1[C@@H]1CCC[C@@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@@H]1CCC[C@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CCC[C@@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CCC[C@H](N2CCC3(CC2)CS(=O)(=O)C3)C1
O=S1(=O)CC2(CCCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)nc4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ncc(C(F)(F)F)cc4F)CC3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ncc(C(F)(F)F)cc4F)CC3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)nc4)CC3)CC2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4ccc(C(F)(F)F)nc4)CC3)CC2)C1
CC(C)[C@@H]1C[C@H](N2CCC3(C2)CS(=O)(=O)C3)CCN1c1ccc(C(F)(F)F)nc1
CC(C)[C@@H]1C[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CCN1c1ccc(C(F)(F)F)nc1
CC(C)[C@H]1C[C@H](N2CCC3(C2)CS(=O)(=O)C3)CCN1c1ccc(C(F)(F)F)nc1
CC(C)[C@H]1C[C@@H](N2CCC3(C2)CS(=O)(=O)C3)CCN1c1ccc(C(F)(F)F)nc1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cc(C(F)(F)F)ncn4)CC3)C2)C1
O=S1(=O)CCC2(CCN([C@H]3CC[C@@H](c4ccc(C(F)(F)F)cn4)CC3)C2)CC1
O=S1(=O)CCC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)cn4)CC3)C2)CC1
CC(C)(C)n1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC3(CC2)CS(=O)(=O)C3)CC1
CC(C)(C)n1nc(C(F)(F)F)cc1[C@H]1CC[C@@H](N2CCC3(CC2)CS(=O)(=O)C3)CC1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cc(C(F)(F)F)ncc4Cl)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccnc(C(F)(F)F)n4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4ccnc(C(F)(F)F)c4)CC3)CC2)C1
CC(C)n1nc(C(F)(F)F)cc1[C@H]1CC[C@H](N2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1
O=S1(=O)CC2(CCN([C@H]3CC[C@H](c4cnc(C(F)(F)F)nc4)CC3)C2)C1
O=S1(=O)CC2(CCN([C@H]3CC[C@@H](c4cnc(C(F)(F)F)nc4)CC3)C2)C1
O=S1(=O)CCC2(CCN([C@H]3CC[C@H](c4ccc(C(F)(F)F)nc4)CC3)C2)CC1
O=S1(=O)CCC2(CCN([C@H]3CC[C@@H](c4ccc(C(F)(F)F)nc4)CC3)C2)CC1
FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
C[C@@H](COc1ccc(Cl)cc1)CN1CCC(C)CC1
C[C@@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
C[C@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
C[C@@H](CCOc1ccc(Cl)cc1)N1CCC(C)CC1
CC1CCN(CCCOc2ccc(Cl)cc2)CC1
C[C@H](COc1ccc(Cl)cc1)CN1CCC(C)CC1
C[C@H](CCOc1ccc(Cl)cc1)N1CCC(C)CC1
C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
CC1CCN(CCOc2ccc(Cl)cc2)CC1
C[C@H](CCN1CCC(C)CC1)Oc1ccc(Cl)cc1
C[C@@H](CCN1CCC(C)CC1)Oc1ccc(Cl)cc1
C[C@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@@]2(C)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |c:33,t:19|
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C |r,c:33,t:18|
CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3
Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 |wU:10.10,wD:13.14,(3.57,-2.64,;3.57,-1.1,;2.24,-.33,;2.24,1.21,;3.57,2,;4.91,1.23,;4.91,-.33,;6.24,-1.1,;7.57,-.31,;8.91,-1.08,;10.24,-.31,;10.24,1.21,;11.58,1.98,;12.91,1.21,;14.24,1.98,;15.59,1.21,;16.92,1.98,;18.25,1.21,;18.23,-.33,;19.56,-1.1,;20.91,-.33,;20.91,1.21,;19.58,1.98,;19.58,3.52,;12.91,-.33,;11.58,-1.1,)|
CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1
CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
CCCCN1CCC2(CCCc3ccccc23)CC1
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:10|
CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CCC(C)CN1
CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
CN(C1CCN(CCCCOc2ccccc2)C1)c1nc2ccccc2s1
N=C(NCCSC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1
CCCN1CCC[C@@H](C1)c1cccc(O)c1
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
CC(C)[C@@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC
CCN(C\C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1
CC(C)[C@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc23)CC1 |c:18|
CCN(CC)CCOc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OCCN(CC)CC)cc1
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CCC(C)CN1 |t:8|
OC(=O)c1ccc(CCN2CCN(C\C=C\c3ccc(Cl)cc3)CC2)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6|
[H][C@@]1([#6])[#6]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:2:1:11.5.4:16.14.15,17:16:1:11.5.4,10:11:1:16.14.15|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC
CCN(CC)CCOc1ccc(cc1)C(O)(Cc1ccc(Cl)cc1)c1ccc(C)cc1
CCCCCCCCCCCCC(CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C
C[C@@H]1C2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 |t:15|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
NC(NCc1ccccc1)=Nc1nc(cs1)-c1cc2ccccc2[nH]1 |w:10.11|
COc1ccc2C(CCCN3CCCCC3(C)C)CCCc2c1
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
COc1ccc2C(CCCCN3CCC(C)CC3)CCCc2c1
COc1ccc2c(CCCN3CCC[C@H](C)C3)cccc2c1
COc1ccc2c(CCCCN3CCCCC3)cccc2c1
COc1ccc2C(CCCCN3CCCCC3(C)C)CCCc2c1
COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1
COc1ccc2c(CCCN3CCCC[C@H]3C)cccc2c1
COc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1
COc1ccc2c(CCCN3CCC[C@@H](C)C3)cccc2c1
COc1ccc2c(CCCN3CCCCC3(C)C)cccc2c1
COc1ccc2c(CCCCN3CCCC[C@H]3C)cccc2c1
COc1ccc2C(CCCCN3CCC(C)(C)CC3)CCCc2c1
COc1ccc2C(CCCCN3CCCCC3)CCCc2c1
COc1ccc2c(CCCN3CCCCC3)cccc2c1
COc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1
COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1
COc1ccc2C(CCCN3CCC(C)CC3)CCCc2c1
COc1ccc2c(CCCN3CCC(C)(C)CC3)cccc2c1
COc1ccc2C(CCCN3CCCCC3)CCCc2c1
COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1
COc1ccc2C(CCCN3CCC(C)(C)CC3)CCCc2c1
COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
COc1ccc2c(CCCN3CCCC[C@@H]3C)cccc2c1
COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1
COc1ccc2c(CCCN3CCC(C)CC3)cccc2c1
COc1ccc2c(CCCCN3CCC[C@H](C)C3)cccc2c1
CC1(C)CCCN(CCCc2cccc3cc(O)ccc23)C1
Oc1ccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc2c1
COc1cccc2c(CCCN3CCCC(C)(C)C3)cccc12
COc1ccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc2c1
CC1(C)CCCN(CCCn2c3ccccc3c3ccccc23)C1
COc1ccc2cccc(CCCN3CCN(CC3)C3CCCCC3)c2c1
Oc1ccc2cccc(CCCN3CCN(CC3)C3CCCCC3)c2c1
CC1(C)CCCN(CCCCCn2c3ccccc3c3ccccc23)C1
COc1cccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc12
CC1(C)CCCN(CCCc2cccc3ccc(O)cc23)C1
C(CN1CCN(CC1)C1CCCCC1)Cn1c2ccccc2c2ccccc12
COc1ccc2cccc(CCCN3CCCC(C)(C)C3)c2c1
CC1(C)CCCN(CCCCn2c3ccccc3c3ccccc23)C1
COc1ccc2CC(CN3CCN(CC3)c3ccccn3)CCc2c1
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)NCCOc1ccccn1 |r,wU:8.8,11.15,(8.88,4.05,;10.22,3.28,;11.55,4.05,;11.55,5.59,;12.88,6.36,;14.22,5.6,;14.22,4.04,;12.88,3.28,;15.56,3.28,;15.56,1.74,;16.88,.97,;18.22,1.74,;18.22,3.28,;16.89,4.05,;19.55,.96,;20.88,1.73,;22.22,.96,;23.55,1.72,;24.88,.95,;26.21,1.72,;27.54,.96,;27.54,-.59,;26.2,-1.36,;24.87,-.59,)|
COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccc1 |t:9|
COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1 |r,wU:8.8,11.15,(21.08,-16.94,;22.41,-16.17,;22.41,-14.63,;21.08,-13.86,;21.08,-12.32,;22.41,-11.55,;23.74,-12.31,;23.75,-13.86,;25.07,-11.53,;26.41,-12.3,;27.73,-11.53,;27.73,-9.99,;26.4,-9.22,;25.06,-10,;29.06,-9.22,;30.39,-10,;31.72,-9.23,;31.73,-7.69,;30.4,-6.92,;29.06,-7.69,;33.07,-6.93,;33.06,-5.4,;34.39,-4.63,;35.73,-5.4,;35.73,-6.94,;34.39,-7.71,)|
COc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-8.26,-19.66,;-9.59,-20.44,;-9.59,-21.97,;-10.92,-22.74,;-10.92,-24.29,;-9.58,-25.06,;-8.25,-24.29,;-8.25,-22.74,;-6.92,-21.96,;-5.59,-22.72,;-4.26,-21.96,;-4.26,-20.42,;-5.6,-19.65,;-6.93,-20.42,;-2.93,-19.65,;-1.6,-20.42,;-.27,-19.66,;-.26,-18.12,;-1.6,-17.34,;-2.94,-18.11,;1.07,-17.35,;1.07,-15.82,;2.4,-15.05,;3.74,-15.83,;3.73,-17.37,;2.4,-18.13,)|
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,11.15,(.19,-28.28,;1.52,-27.51,;1.52,-25.97,;.19,-25.2,;.19,-23.65,;1.52,-22.88,;2.85,-23.65,;2.86,-25.2,;4.18,-22.87,;5.52,-23.63,;6.85,-22.87,;6.85,-21.33,;5.51,-20.56,;4.17,-21.33,;8.17,-20.56,;9.51,-21.33,;10.84,-20.57,;10.84,-19.03,;9.51,-18.25,;8.17,-19.02,;12.18,-18.26,;12.18,-16.73,;13.51,-15.96,;14.85,-16.74,;14.84,-18.28,;13.51,-19.04,)|
COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(8.9,-26.66,;10.23,-27.43,;11.56,-26.67,;11.56,-25.12,;12.89,-24.35,;14.23,-25.12,;14.23,-26.67,;12.9,-27.44,;15.56,-24.33,;16.89,-25.1,;18.22,-24.33,;18.22,-22.8,;16.88,-22.03,;15.55,-22.8,;19.55,-22.03,;20.88,-22.8,;22.21,-22.04,;22.22,-20.5,;20.88,-19.72,;19.54,-20.49,;23.55,-19.73,;23.55,-18.2,;24.88,-17.43,;26.22,-18.21,;26.21,-19.75,;24.88,-20.51,)|
C(Cc1ccccc1)N1CCCCC1
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Cc1cccc(C)c1C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
Cc1cccc(C)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(4.14,-25.41,;4.15,-26.95,;2.82,-27.72,;2.82,-29.27,;4.15,-30.04,;5.49,-29.26,;6.82,-30.03,;5.48,-27.71,;6.81,-26.93,;8.15,-27.7,;9.47,-26.93,;9.48,-25.39,;8.14,-24.62,;6.8,-25.4,;10.8,-24.62,;12.14,-25.4,;13.46,-24.63,;13.47,-23.1,;12.14,-22.32,;10.8,-23.09,;14.81,-22.33,;14.81,-20.8,;16.14,-20.03,;17.48,-20.8,;17.47,-22.34,;16.13,-23.11,)|
COc1cccc(OC)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:10.10,wD:13.17,(-7.45,-22.18,;-8.78,-22.95,;-8.77,-24.49,;-10.1,-25.26,;-10.1,-26.81,;-8.77,-27.58,;-7.43,-26.81,;-6.1,-27.57,;-6.1,-29.11,;-7.44,-25.26,;-6.11,-24.47,;-6.12,-22.94,;-4.78,-22.17,;-3.44,-22.94,;-3.45,-24.47,;-4.77,-25.24,;-2.12,-22.17,;-.78,-22.94,;.54,-22.18,;.55,-20.64,;-.78,-19.86,;-2.12,-20.63,;1.89,-19.87,;1.89,-18.34,;3.22,-17.57,;4.56,-18.35,;4.55,-19.89,;3.21,-20.65,)|
COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:13.17,10.10,(18.58,-10.5,;17.25,-11.27,;17.25,-12.81,;15.92,-13.58,;15.92,-15.12,;17.26,-15.89,;18.59,-15.12,;19.93,-15.89,;19.93,-17.43,;18.59,-13.57,;19.92,-12.79,;21.25,-13.56,;22.58,-12.79,;22.58,-11.25,;21.24,-10.48,;19.91,-11.25,;23.91,-10.48,;25.24,-11.26,;26.57,-10.49,;26.58,-8.95,;25.24,-8.18,;23.9,-8.95,;27.91,-8.19,;27.91,-6.66,;29.24,-5.89,;30.58,-6.66,;30.57,-8.2,;29.24,-8.97,)|
Fc1cccc(F)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(3.19,-11.41,;3.2,-12.95,;1.87,-13.72,;1.87,-15.26,;3.2,-16.03,;4.54,-15.26,;5.87,-16.03,;4.53,-13.71,;5.86,-12.93,;5.85,-11.39,;7.19,-10.62,;8.53,-11.39,;8.52,-12.93,;7.2,-13.7,;9.85,-10.62,;11.19,-11.4,;12.52,-10.63,;12.52,-9.09,;11.19,-8.32,;9.85,-9.09,;13.86,-8.33,;13.86,-6.8,;15.19,-6.03,;16.53,-6.8,;16.52,-8.34,;15.18,-9.11,)|
Fc1cccc(F)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-9.21,-11,;-9.21,-12.54,;-10.54,-13.31,;-10.54,-14.85,;-9.2,-15.62,;-7.87,-14.85,;-6.53,-15.62,;-7.87,-13.3,;-6.54,-12.52,;-5.21,-13.29,;-3.88,-12.52,;-3.88,-10.98,;-5.22,-10.21,;-6.55,-10.98,;-2.55,-10.21,;-1.22,-10.99,;.11,-10.22,;.12,-8.68,;-1.22,-7.91,;-2.56,-8.67,;1.45,-7.92,;1.45,-6.38,;2.78,-5.62,;4.12,-6.39,;4.11,-7.93,;2.78,-8.69,)|
Clc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(13.43,1.57,;13.44,.03,;12.11,-.74,;12.11,-2.28,;13.44,-3.05,;14.78,-2.28,;14.77,-.73,;16.1,.05,;16.09,1.59,;17.43,2.36,;18.76,1.59,;18.76,.05,;17.44,-.72,;20.09,2.36,;21.42,1.58,;22.75,2.35,;22.76,3.89,;21.43,4.66,;20.09,3.9,;24.1,4.65,;24.1,6.19,;25.43,6.95,;26.77,6.18,;26.76,4.64,;25.42,3.88,)|
Clc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(2.07,.71,;2.07,-.83,;.74,-1.6,;.74,-3.14,;2.07,-3.92,;3.41,-3.14,;3.41,-1.59,;4.74,-.81,;6.07,-1.58,;7.4,-.81,;7.4,.73,;6.06,1.5,;4.73,.72,;8.73,1.5,;10.06,.72,;11.39,1.48,;11.4,3.02,;10.06,3.8,;8.72,3.03,;12.73,3.79,;12.73,5.32,;14.06,6.09,;15.4,5.32,;15.39,3.77,;14.06,3.01,)|
Cc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(-9.03,.91,;-9.03,-.63,;-10.36,-1.4,;-10.36,-2.94,;-9.03,-3.71,;-7.69,-2.94,;-7.69,-1.39,;-6.37,-.61,;-6.37,.93,;-5.04,1.7,;-3.7,.93,;-3.7,-.61,;-5.03,-1.38,;-2.37,1.7,;-1.04,.92,;.29,1.69,;.3,3.23,;-1.04,4,;-2.38,3.23,;1.63,3.99,;1.63,5.53,;2.96,6.29,;4.3,5.52,;4.29,3.98,;2.96,3.21,)|
Cc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(14.09,-43.6,;14.1,-45.14,;12.77,-45.91,;12.77,-47.45,;14.1,-48.22,;15.44,-47.45,;15.43,-45.9,;16.76,-45.12,;18.09,-45.89,;19.42,-45.12,;19.42,-43.58,;18.09,-42.82,;16.75,-43.59,;20.75,-42.81,;22.08,-43.59,;23.41,-42.83,;23.42,-41.29,;22.09,-40.51,;20.75,-41.28,;24.75,-40.52,;24.75,-38.99,;26.08,-38.22,;27.42,-39,;27.41,-40.54,;26.08,-41.3,)|
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,wD:5.6,(4.97,-44.46,;3.64,-45.24,;3.65,-46.77,;4.98,-47.54,;6.31,-46.77,;6.31,-45.23,;7.64,-44.46,;8.97,-45.24,;10.3,-44.47,;10.31,-42.94,;8.97,-42.16,;7.63,-42.93,;11.64,-42.17,;11.64,-40.64,;12.97,-39.87,;14.31,-40.64,;14.3,-42.19,;12.97,-42.95,;2.32,-47.55,;.98,-46.79,;-.34,-47.56,;-.35,-49.1,;.99,-49.87,;2.32,-49.1,)|
C1C[C@H](CC[C@H]1N1CCN(CC1)c1ccccn1)c1ccccc1 |r,wU:2.20,5.6,(-4.24,-47.15,;-5.56,-47.92,;-6.9,-47.15,;-6.91,-45.62,;-5.57,-44.85,;-4.24,-45.61,;-2.91,-44.84,;-1.58,-45.62,;-.25,-44.86,;-.24,-43.32,;-1.57,-42.54,;-2.91,-43.31,;1.1,-42.55,;1.09,-41.02,;2.42,-40.25,;3.76,-41.03,;3.76,-42.57,;2.42,-43.33,;-8.23,-47.93,;-9.56,-47.17,;-10.89,-47.94,;-10.89,-49.48,;-9.56,-50.25,;-8.22,-49.48,)|
COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(12.89,-36.27,;14.22,-37.04,;15.56,-36.27,;15.56,-34.73,;16.89,-33.96,;18.22,-34.72,;18.23,-36.27,;16.89,-37.04,;19.55,-33.94,;19.54,-32.41,;20.88,-31.63,;22.22,-32.4,;22.21,-33.94,;20.89,-34.71,;23.54,-31.63,;24.88,-32.41,;26.2,-31.64,;26.21,-30.1,;24.88,-29.33,;23.54,-30.1,;27.55,-29.34,;27.55,-27.81,;28.88,-27.04,;30.21,-27.81,;30.21,-29.35,;28.87,-30.12,)|
COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(1.87,-39.15,;3.2,-38.38,;3.2,-36.84,;1.87,-36.07,;1.87,-34.53,;3.2,-33.76,;4.53,-34.52,;4.54,-36.07,;5.86,-33.74,;5.85,-32.21,;7.19,-31.43,;8.53,-32.2,;8.52,-33.74,;7.2,-34.51,;9.85,-31.43,;11.19,-32.21,;12.52,-31.44,;12.52,-29.9,;11.19,-29.13,;9.85,-29.9,;13.86,-29.14,;13.86,-27.61,;15.19,-26.84,;16.53,-27.61,;16.52,-29.15,;15.19,-29.92,)|
COc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(-11.09,-34.13,;-12.43,-34.91,;-12.42,-36.44,;-13.75,-37.21,;-13.75,-38.76,;-12.42,-39.53,;-11.07,-38.76,;-11.08,-37.21,;-9.75,-36.43,;-9.76,-34.89,;-8.42,-34.12,;-7.09,-34.89,;-7.09,-36.43,;-8.41,-37.19,;-5.76,-34.12,;-4.43,-34.89,;-3.1,-34.13,;-3.09,-32.59,;-4.42,-31.82,;-5.76,-32.58,;-1.76,-31.83,;-1.76,-30.29,;-.43,-29.53,;.91,-30.3,;.9,-31.84,;-.43,-32.6,)|
COc1cccc2C(CCCCCN3CCC(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCN3CC[N+](C)(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCC[N+]3(C)CC[N+](C)(CC3)C3CCCCC3)CCCc12 |(-8.47,-48.94,;-7.14,-48.17,;-7.14,-46.63,;-8.47,-45.86,;-8.47,-44.32,;-7.14,-43.55,;-5.81,-44.31,;-4.47,-43.53,;-4.47,-41.99,;-3.13,-41.22,;-1.8,-41.99,;-.47,-41.23,;-.48,-42.76,;.87,-42,;2.2,-41.24,;2.2,-39.7,;2.19,-38.16,;.87,-38.92,;-.47,-39.69,;3.54,-38.94,;4.87,-39.71,;6.2,-38.96,;6.22,-37.42,;4.89,-36.64,;3.54,-37.4,;-3.12,-44.32,;-3.12,-45.87,;-4.47,-46.64,;-5.81,-45.87,)|
COc1cccc2C(CCC[N+]3(C)CCN(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCN3CCNCC3)CCCc12
COc1cccc2C(CCCN3CCN(CC3)C(=O)C3CCCCC3)CCCc12
COc1cccc2C(CCCN3CCCCC3)CCCc12
COc1cccc2C(CCCN3CCN(CCCC4CCCc5c(OC)cccc45)CC3)CCCc12
COc1cccc2C(CCCNCC(=O)NC3CCCCC3)CCCc12
C1CCC(CC1)N1CCNCC1
CC(=O)N1CCN(CC1)C1CCCCC1
CCN1CCN(CC1)C1CCCCC1
CN1CCN(CC1)C(C)=O
C1CCC(CC1)N1CCN(CC1)C1CCCCC1
O=C(C1CCCCC1)N1CCN(CC1)C1CCCCC1
C(CC1CCCCC1)CN1CCN(CC1)C1CCCCC1
COc1cccc2C(CCCN3CCC(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCN3CCC(O)(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCCC3CCN(CC3)C3CCCCC3)CCCc12
COc1cccc2C(CCC(=O)N3CCN(CC3)C3CCCCC3)CCCc12
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)[N+]1(C)CCCC1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)N1CCCCCC1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)NCc1ccccc1
CC1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)N1CN2CCC1CC2 |(-5.77,-2.67,;-4.23,-2.67,;-3.46,-1.33,;-1.92,-1.33,;-1.15,,;-1.15,-2.67,;-1.92,-4,;-1.15,-5.34,;-3.46,-4,;.38,-2.67,;.38,-4.21,;1.72,-3.44,;1.15,-1.33,;2.69,-1.33,;3.46,,;2.69,1.33,;1.15,1.33,;.38,,;3.46,2.67,;2.69,4,;3.46,5.34,;5,5.34,;5.77,4,;5,2.67,;5,3.8,;4.49,4.82,)|
CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCC(C)CC1
CC1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1
COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12
CC1(C)CCCN(CCCCC2CCc3ccccc23)C1
CC1(C)CCCN(CCCc2cccc3occc23)C1
CC1(C)CCCN(CCCc2cccc3sccc23)C1
CC1(C)CCCN(CCCC2CCCc3sccc23)C1
CC1(C)CCCN(CCCCCC2CCCc3sccc23)C1
CC1(C)CCCN(CCCC2CCCCc3ccccc23)C1
CC1(C)CCCN(CCCCC2CCCCc3ccccc23)C1
CC1(C)CCCN(CCCCC2CCCCC2)C1
CC1(C)CCCN(CC(=O)Nc2nc3CCCC(=O)c3s2)C1
CC1(C)CCCN(CCNc2nc3CCCC(=O)c3s2)C1
CC1(C)CCCN(CCNc2nc3ccccc3s2)C1
CC1(C)CCCN(CCNc2nccs2)C1
CC1(C)CCCN(CCCCN2CCCC(C)(C)C2)C1
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)CCCC=C |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(CCCC=C)Cc1ccccc1 |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(Cc1ccccc1)Cc1ccccc1 |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)Cc1ccccc1 |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)NCCCC=C |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)NCc1ccccc1 |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H](N)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)C |r|
Fc1cc(F)cc(c1)S(=O)(=O)N1CCOC2(CCN(C2)C2CCOCC2)C1
Cn1nc(cc1S(=O)(=O)N1CCC2(CCN(C2)C2CCOCC2)CC1)C(F)(F)F
Cn1nc(cc1S(=O)(=O)N1CC2(CN(CC3CC4(COC4)C3)C2)C1)C(F)(F)F
CC(C1CCCO1)N1CC2(C1)CN(C2)S(=O)(=O)c1ccc(nc1C)C(F)(F)F
CC(C)c1cc(n(C)n1)S(=O)(=O)N1CC2(CN(C2)C2CCOCC2)C1
FC(F)(F)c1ccc(c(n1)C1CC1)S(=O)(=O)N1CC2(CN(C2)C2CCOCC2)C1
[H][C@]12CC[C@]([H])(C[C@@H](C1)NCC1(O)CCOCC1)N2S(=O)(=O)c1ccc(OC(F)F)cc1 |r|
FC(F)Oc1ccc(cc1)S(=O)(=O)N1C2CCC1CC(C2)NCC1CCOCC1
[H][C@]12CC[C@]([H])(C[C@@H](C1)N1CCC(C)CC1)N2S(=O)(=O)c1ccc(OC(F)F)cc1 |r|
CC12CC(C1)(CO2)NC1CC2CCC(C1)N2S(=O)(=O)c1ccc(OC(F)F)cc1 |(-7.82,5.09,;-6.47,4.34,;-6.12,2.84,;-4.59,2.71,;-4.97,3.97,;-3.99,4.13,;-5.15,5.14,;-3.8,1.39,;-2.26,1.42,;-1.46,.1,;.08,.13,;-1.25,.9,;-1.29,2.07,;.03,2.8,;-1.51,2.77,;.82,1.48,;2.36,1.48,;3.7,2.25,;2.36,3.02,;3.13,.15,;4.67,.15,;5.44,-1.18,;4.67,-2.52,;5.44,-3.85,;6.98,-3.85,;7.75,-5.19,;7.75,-2.52,;3.14,-2.52,;2.36,-1.19,)|
[H][C@]12CC[C@]([H])(C[C@H](CN3CCOCC3)C1)N2S(=O)(=O)c1cc(C)nn1C |r|
FC(F)Oc1ccc(cc1)S(=O)(=O)N1C2CCC1CC(C2)NC1CCOCC1
Fc1ccc(cc1)S(=O)(=O)N1CCC2(CCC(C2)N2CC3(COC3)C2)CC1
COc1nccc(c1F)S(=O)(=O)N1CCC2(CCC(C2)N2CCOCC2)CC1
FC(F)(F)c1cc(co1)S(=O)(=O)N1CCC2(CCC(C2)N2CC3(COC3)C2)CC1
O=S(=O)(N1CCC2(CCC(C2)N2CC3(COC3)C2)CC1)c1ccc2OCCOc2c1
Cn1nc(cc1S(=O)(=O)N1CCC2(CC(C2)NC2CCOCC2)CC1)C1CC1
CN(C1CC2(COC2)C1)C1COC2(C1)CCN(CC2)S(=O)(=O)c1cnc(nc1C)C(F)(F)F
CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(F)(F)F
O=C1N(c2ccc(C(F)(F)F)cc2)CCC12CCN(CC1CCOCC1)CC2
CN1C(=O)N(C(=O)C12CCN(CC2)CC3CCOCC3)c4ccc(cc4)C(F)(F)F
CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1CCOCC1)CC2
CC(C)N1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1CCOCC1)CC2
O=C1N(c2ccc(C(F)(F)F)cc2)C(=O)C2(CCN(CC3CCOCC3)CC2)N1C1CC1
O=C1NC2(CCN(CC3CCOCC3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1
CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(C(C)C1CCOCC1)CC2
CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(C1CCOCC1)CC2
CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(C1CCCOCC1)CC2
CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1CCS(=O)(=O)CC1)CC2
CCN1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C12CCN(CC1(F)CCOCC1)CC2
CCN1C(=O)N(c2ccc(C)cc2)C(=O)C12CCN(CC1CCOCC1)CC2
CCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C12CCN(CC1CCOCC1)CC2
CCN1C(=O)N(c2ccc(C3CC3)cc2)C(=O)C12CCN(CC1CCOCC1)CC2
CCN1C(=O)N(c2cccc(C3CC3)c2)C(=O)C12CCN(CC1CCOCC1)CC2
CCN1C(=O)N(c2cc(Cl)cc(C#N)c2)C(=O)C12CCN(CC1CCOCC1)CC2
CCN1C(=O)N([C@H]2CC[C@H](C(F)(F)F)CC2)C(=O)C12CCN(CC1CCOCC1)CC2
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C