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298 SMILES Strings for Vascular endothelial growth factor A

Compound NameSMILES String
BDBM126621 OCC[C@H]1CCCN1Cc1ccn(Cc2ccccc2)c(=O)c1O |r|
BDBM25115 NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
BDBM50002930 [H][C@@]12CSC(C[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@]3([H])CCCN3C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(OC)cc3)NC(=O)CC1)C(C)(C)C)=N2 |r,c:61|
BDBM50002932 [H][C@]12CSC(=N1)C(C)(C)[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC2)C(C)(C)C |r,c:4|
BDBM50002918 [H][C@]12CSC(=N1)[C@@H](C)[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC2)C(C)(C)C |r,c:4|
BDBM50003017 [H][C@@]12CSC(=N1)[C@@H](C)[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC2)C(C)(C)C |r,c:4|
BDBM107704 OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
BDBM102350 Oc1cccn(Cc2ccc(Cl)cc2)c1=O
BDBM102351 Oc1cccn(Cc2cccc(Cl)c2)c1=O
BDBM102336 CC1CCC(CC1)NCc1ccn(Cc2ccccc2)c(=O)c1O |(8.08,,;6.54,,;5.78,-1.33,;4.23,-1.33,;3.47,,;4.23,1.33,;5.78,1.33,;1.93,,;1.15,1.33,;-.38,1.33,;-1.15,2.67,;-2.69,2.67,;-3.47,1.33,;-5,1.33,;-5.78,,;-7.31,,;-8.08,-1.33,;-7.31,-2.67,;-5.78,-2.67,;-5,-1.33,;-2.69,,;-3.47,-1.33,;-1.15,,;-.38,-1.33,)|
BDBM102337 Oc1c(CNCCCn2ccnc2)ccn(Cc2ccccc2)c1=O
BDBM102338 CC(NCc1ccn(Cc2ccccc2)c(=O)c1O)c1ccccc1
BDBM102339 COC[C@H]1CCCN1Cc1ccn(Cc2ccccc2)c(=O)c1O |r|
BDBM102340 CSCCNCc1ccn(Cc2ccccc2)c(=O)c1O
BDBM102341 Oc1c(CN2CCN(CC2)c2ccc(Cl)nn2)ccn(Cc2ccccc2)c1=O
BDBM102342 Oc1c(CNC2CCCCNC2=O)ccn(Cc2ccccc2)c1=O
BDBM102343 Oc1c(CN2CCN(Cc3ccccc3)CC2)ccn(Cc2ccccc2)c1=O
BDBM102344 OCc1ccccc1Cn1ccc(CN2CCCCCC2)c(O)c1=O
BDBM102345 Cc1ccc(cc1)S(=O)(=O)n1ccc(CN2CCC(CC2)N2CCCCC2)c(O)c1=O
BDBM102346 Cc1ccc(cc1)S(=O)(=O)n1ccc(CN2CCN(CC2)c2ccc(Cl)nn2)c(O)c1=O
BDBM102347 Oc1c(CNCc2ccccc2)ccn(Cc2ccc(Cl)cc2)c1=O
BDBM102348 CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(Cl)cc3)c(=O)c2O)CC1
BDBM102349 CN(CC(O)=O)Cc1ccn(c(=O)c1O)S(=O)(=O)c1ccc(C)cc1
BDBM107695 COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
BDBM107696 COC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(Cl)cc1
BDBM107697 COC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(cc1)[N+]#[C-]
BDBM107698 Cc1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
BDBM107699 Cc1ccc(cc1)-c1ccc(C(=O)NCC(O)=O)c(O)c1
BDBM107700 COC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(C)cc1
BDBM107701 COC(=O)CNC(=O)c1ncc(cc1O)-c1ccccc1Cl
BDBM107702 OC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(cc1)[N+]#[C-]
BDBM107707 CC(C)c1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
BDBM107708 OC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(F)cc1
BDBM107709 CC(C)Oc1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
BDBM107710 Cc1ccc(Cl)cc1-c1cnc(C(=O)NCC(O)=O)c(O)c1
BDBM107711 CNC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
BDBM107712 COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)[N+]#[C-]
BDBM107713 COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)-c1nnn[nH]1
BDBM107714 OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)[N+]#[C-]
BDBM107715 COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C(N)=O
BDBM107716 COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C(=O)N1CCCC1
BDBM107717 OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C(=O)N1CCCC1
BDBM107718 OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)-c1nnn[nH]1
BDBM282641 NC1C(F)S(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
BDBM282572 O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
BDBM373044 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=N)(=O)C(F)(F)F |r|
BDBM50129952 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
BDBM50179253 CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H]1O
BDBM50179254 OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]5OCc5ccccc5)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
BDBM50179255 OC[C@H]1O[C@H](NC(=O)COc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
BDBM50179256 OC[C@H]1O[C@H](NC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
BDBM50307386 CCCCCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307387 [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307388 [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307389 [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307390 [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307391 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307392 [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCn2cc(nn2)-c2ccccc2)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307393 [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCn2cc(nn2)-c2ccccc2)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307394 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307395 [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307396 [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307398 [O-]S(=O)(=O)OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307399 [O-]S(=O)(=O)OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307400 CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307401 CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50307402 CCCCc1ccc(CO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)cc1 |r|
BDBM50378647 [O-]P([O-])(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]3[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]4[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@H]5[C@@H](OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM282632 OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282687 OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2Br)S(=N)(=O)C1(F)F
BDBM282704 OC1CS(=O)(=NC#N)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
BDBM282708 OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=N)(=O)C1(F)F
BDBM282685 OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM50421310 CC(=O)N(CCc1ccccc1)CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421311 CCN(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCC([O-])=O |r|
BDBM50421312 CCN(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCCCCCCCOS([O-])(=O)=O |r|
BDBM50421313 CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421314 CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421315 CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421316 CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCC([O-])=O |r|
BDBM50421317 CC(=O)N(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)c1ccccc1 |r|
BDBM50421318 CCN(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCCC([O-])=O |r|
BDBM50421319 CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCc1ccccc1 |r|
BDBM50421295 [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCNC(=O)CNC(=O)Cc2cccc(Cl)c2)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421296 CO[C@H]1O[C@H](CNC(=O)CN(C(C)=O)c2ccccc2)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421297 CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCCCCCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421298 CO[C@H]1O[C@H](CNC(=O)CN(Cc2ccccc2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421299 CO[C@H]1O[C@H](CNC(=O)CN(CCc2ccccc2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421300 CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421301 CCCCC1CCC(CC1)N(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(C)=O |r,wU:16.16,27.28,21.22,wD:33.35,18.19,(14.12,3.67,;12.79,2.9,;12.78,1.36,;11.45,.59,;11.45,-.95,;10.12,-1.73,;10.12,-3.27,;11.45,-4.03,;12.78,-3.27,;12.77,-1.73,;11.45,-5.57,;10.12,-6.33,;8.78,-5.56,;8.79,-4.02,;7.45,-6.32,;6.12,-5.55,;4.78,-6.32,;4.78,-7.86,;3.45,-8.62,;3.45,-10.16,;4.79,-10.93,;2.12,-7.86,;.79,-8.63,;.79,-10.17,;-.54,-10.94,;2.33,-10.17,;1.55,-11.5,;2.12,-6.32,;.79,-5.55,;-.54,-6.32,;-1.88,-5.56,;-1.32,-7.65,;.22,-7.65,;3.45,-5.54,;3.45,-4,;2.12,-3.23,;.78,-4,;1.34,-1.89,;2.88,-1.89,;12.78,-6.34,;12.78,-7.88,;14.12,-5.57,)|
BDBM50421302 CO[C@H]1O[C@H](CNC(=O)CNC(=O)Cc2cccc(Cl)c2)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421303 CO[C@H]1O[C@H](CNC(=O)CN(CCOS([O-])(=O)=O)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
BDBM50421304 CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)COS([O-])(=O)=O |r|
BDBM50421305 CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCCC([O-])=O |r|
BDBM50421306 CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCCCCCCCOS([O-])(=O)=O |r|
BDBM50421307 CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)c1ccccc1 |r|
BDBM50421308 CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCc1ccccc1 |r|
BDBM50421309 CC(=O)N(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)Cc1ccccc1 |r|
BDBM50428819 O[C@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)c(O)c1 |r,TLB:16:18:20:8.7.22,12:11:20:8.7.22|
BDBM50428820 O[C@H]1Cc2c(O)cc(O)c([C@@H]3C[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)cc1 |r|
BDBM50428821 O[C@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |r,THB:16:18:7.22.8:20,12:11:7.22.8:20|
BDBM50017345 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(O[C@@H]2O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]4O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)[C@H](O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](NC(C)=O)[C@@H](OCCCCC)O[C@@H]1COS([O-])(=O)=O |r|
BDBM50017346 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(O[C@@H]2O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]4O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@H](O)[C@@H](NC(C)=O)[C@@H](OCCCCC)O[C@@H]1COS([O-])(=O)=O |r|
BDBM50017347 [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](O[C@@]2([H])[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]3([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](O[C@@]4([H])[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]5([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OCCCCCN)O[C@@H]5CO)O[C@H]4C([O-])=O)O[C@@H]3CO)O[C@H]2C([O-])=O)O[C@@H]1CO |r|
BDBM282728 OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(Br)c12
BDBM282729 O[C@H]1CS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c12
BDBM282730 O[C@H]1CS(=O)(=O)c2ccc(Oc3cncc(c3)C#N)c(Br)c12
BDBM282731 O[C@@H]1c2c(ccc(Oc3cncc(Cl)c3)c2Br)S(=O)(=O)C1(F)F |r|
BDBM282732 O[C@H]1CS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(C#N)c12
BDBM282733 O[C@@H]1c2c(ccc(Oc3cncc(F)c3)c2Br)S(=O)(=O)C1(F)F |r|
BDBM282734 O[C@@H]1c2c(ccc(Oc3cncc(c3)C#N)c2Br)S(=O)(=O)C1(F)F |r|
BDBM282735 CC1(O)c2cc(Oc3cc(F)cc(F)c3)ccc2S(=O)(=O)C1(F)F
BDBM282736 COc1cc(F)cc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2Br)c1
BDBM282737 COc1cc(F)cc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2C#N)c1
BDBM282738 Cc1cncc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2Br)c1
BDBM282739 COc1cncc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2Br)c1
BDBM282740 O[C@@H]1c2c(ccc(Oc3cccc(c3)C#N)c2Br)S(=O)(=O)C1(F)F |r|
BDBM282741 O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2Cl)S(=O)(=O)C1(F)F |r|
BDBM282742 O[C@@H]1c2c(ccc(Oc3cncc(Cl)c3)c2Cl)S(=O)(=O)C1(F)F
BDBM282743 COc1c2C(O)C(F)(F)S(=O)(=O)c2ccc1Oc1cc(F)cc(c1)C#N
BDBM282744 OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2F)S(=O)(=O)C1(F)F
BDBM282745 O[C@@H]1c2c(ccc(Oc3cccc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
BDBM282746 O[C@@H]1c2c(ccc(Oc3ccc(F)c(F)c3)c2C(F)F)S(=O)(=O)C1(F)F |r|
BDBM282747 O[C@@H]1c2c(ccc(Oc3ccc(F)c(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282748 CCOc1ccc2c([C@@H](O)C(F)(F)S2(=O)=O)c1C(F)F
BDBM282749 O[C@@H]1c2c(ccc(OCC3CC3)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282750 OC1c2c(ccc(Oc3cccc4sccc34)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282751 OC1c2c(ccc(Oc3cccc4cn[nH]c34)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282752 CC1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282753 OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C#N)S(=O)(=O)C1(F)F
BDBM282754 CC1(O)c2c(ccc(Oc3cc(F)cc(F)c3)c2Br)S(=O)(=O)C1(F)F
BDBM282755 OC1(c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F)C(F)(F)F
BDBM282756 CC1(O)c2c(ccc(Oc3cc(F)cc(F)c3)c2C#N)S(=O)(=O)C1(F)F
BDBM282757 OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(Br)c12)C(F)(F)F
BDBM282758 OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C#N)c12)C(F)(F)F
BDBM282759 OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(Br)c12)C(F)(F)F
BDBM282760 OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C#N)c12)C(F)(F)F
BDBM282761 CC1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F
BDBM282762 C[C@H]1C(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S1(=O)=O |r|
BDBM282763 C[C@@H]1C(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S1(=O)=O |r|
BDBM282764 OC1CS(=O)(=O)c2ccc(OCC3(CC3)C#N)c(C(F)F)c12
BDBM282765 OC1c2c(ccc(OCC3(CC3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282766 CC(C)Oc1ccc2c(c1C#N)C(C)(O)C(F)(F)S2(=O)=O
BDBM282767 C[C@]1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F |r|
BDBM282768 C[C@@]1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F |r|
BDBM282769 CC1(O)c2c(ccc(OCc3ccccc3)c2C#N)S(=O)(=O)C1(F)F
BDBM282770 OC1(C=C)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F
BDBM282771 CC1(O)c2c(ccc(OC3CC(F)(F)C3)c2C#N)S(=O)(=O)C1(F)F
BDBM282772 N[C@@H]1c2c(ccc(Oc3cc(F)cc(Br)c3)c2Br)S(=O)(=O)C1(F)F |r|
BDBM282773 NC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C#N)c12
BDBM282774 NC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F
BDBM282775 CO[C@](C(=O)O[C@@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(Br)c12)(c1ccccc1)C(F)(F)F |r|
BDBM282564 O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2Br)S(=O)(=O)C1(F)F |r|
BDBM282570 O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C#N)c12 |r|
BDBM282574 Fc1cc(Cl)cc(Oc2ccc3c(CCS3(=O)=O)c2Br)c1
BDBM282575 Fc1cc(Cl)cc(Oc2ccc3c(CCS3(=O)=O)c2C#N)c1
BDBM282577 OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(Br)c12
BDBM282578 OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C#N)c12
BDBM282580 Fc1cc(Cl)cc(Oc2ccc3c(C(=O)C(F)(F)S3(=O)=O)c2Br)c1
BDBM282581 OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F
BDBM282583 OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C#N)S(=O)(=O)C1(F)F
BDBM282584 OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Cl)S(=O)(=O)C1(F)F
BDBM282591 NC1c2cc(Oc3cc(F)cc(Cl)c3)ccc2S(=O)(=O)C1(F)F
BDBM282597 Cc1c2C(O)C(F)(F)S(=O)(=O)c2ccc1Oc1cc(F)cc(Cl)c1
BDBM282598 OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)(F)F)S(=O)(=O)C1(F)F
BDBM282599 OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C(F)F)c12
BDBM282605 OC1c2cc(Oc3cc(F)cc(Cl)c3)ccc2S(=O)(=O)C1(F)F
BDBM282631 NC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C(F)F)c12
BDBM282634 NC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282656 OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282675 OC1C(F)S(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
BDBM282677 OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
BDBM282682 NC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282683 FC(F)c1c2C(=N)C(F)S(=O)(=O)c2ccc1Oc1cc(F)cc(c1)C#N
BDBM282684 OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C(F)F)c12
BDBM282686 NC1c2c(ccc(Oc3cc(F)cc(F)c3)c2Br)S(=O)(=O)C1(F)F
BDBM282689 COCCNC1c2c(ccc(Oc3cc(F)cc(F)c3)c2Br)S(=O)(=O)C1(F)F
BDBM282690 O[C@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282691 OC1c2c(ccc(Oc3cncc(Cl)c3)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282692 COCCNC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282693 OC1c2c(ccc(Oc3cncc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282694 N[C@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282695 FC(F)c1c2C(=O)C(F)(F)S(=O)(=O)c2ccc1Oc1cc(F)cc(c1)C#N
BDBM282697 N[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
BDBM282698 OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2CF)S(=O)(=O)C1(F)F
BDBM282700 OC1C(F)S(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C#N)c12
BDBM282701 Cc1cc(Oc2ccc3c(C(=O)C(F)(F)S3(=O)=O)c2C(F)F)cc(c1)C#N
BDBM282702 Cc1cc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2C(F)F)cc(c1)C#N |r|
BDBM282703 Fc1cc(Oc2ccc3c(C(=O)C(F)(F)S3(=O)=O)c2Br)cc(c1)C#N
BDBM282706 OC1CS(=N)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
BDBM282707 OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=O)(=NC#N)C1(F)F
BDBM282710 OC1c2c(ccc(OC3CCOCC3)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282711 N[C@@H]1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=O)(=O)C1(F)F |r|
BDBM282712 OC1CCS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
BDBM282713 O[C@@H]1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F |r|
BDBM282714 Fc1cc(Cl)cc(Oc2ccc3c(C(=O)C4(CC4)S3(=O)=O)c2Br)c1
BDBM282715 O[C@H]1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F
BDBM282716 CC1(C)C(O)c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S1(=O)=O
BDBM282717 O[C@@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C#N)c12
BDBM282718 CC1(C)C(O)c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C#N)S1(=O)=O
BDBM282719 OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#C)S(=O)(=O)C1(F)F
BDBM282720 OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#CCF)S(=O)(=O)C1(F)F
BDBM282721 OC1c2c(ccc(OCc3ccccc3)c2C(F)F)S(=O)(=O)C1(F)F
BDBM282722 OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2Cl)S(=O)(=NC#N)C1(F)F
BDBM282723 O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(Br)c12
BDBM282724 O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C#N)c12
BDBM282725 O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(Br)c12
BDBM282726 O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C#N)c12
BDBM282727 Fc1cc(F)cc(Oc2ccc3c(c2)C(=O)CS3(=O)=O)c1
BDBM301787 COC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(cc1)C#N |$;;;;;HN;;;;;;;;;;;;;;;;;$|
BDBM301799 OC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(cc1)C#N
BDBM301819 COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C#N |$;;;;;HN;;;;;;;;;;;;;;;;;$|
BDBM301820 COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)-c1nn[nH]n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
BDBM301825 OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)-c1nn[nH]n1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;$|
BDBM375337 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2C#N |r|
BDBM372960 O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)F |r|
BDBM372961 O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(F)c1)S(=O)(=O)C(F)F |r|
BDBM372964 OC1c2c(CC1(F)F)c(Oc1cc(F)cc(Cl)c1)ccc2S(=O)(=O)C(F)F
BDBM372966 OC1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2S(=O)(=O)C(F)F
BDBM372972 OC1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)F
BDBM372976 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)F |r|
BDBM372979 OC1CCc2c1c(ccc2Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)F
BDBM372986 O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)F |r|
BDBM372987 Cc1c(C#N)c(Oc2cc(F)cc(F)c2)ccc1S(=O)(=O)C(F)F
BDBM372988 OCc1c(Cl)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F
BDBM372989 O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(F)c1)S(=O)(=O)C(F)(F)F |r|
BDBM372990 O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(F)c1)S(=O)(=O)CF |r|
BDBM372991 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
BDBM372992 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2S(=O)(=O)CF |r|
BDBM372993 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(Cl)c1)ccc2C#N |r|
BDBM372994 OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F
BDBM372995 OC1CCc2c1c(ccc2Oc1cc(F)cc(c1)C#N)S(=O)(=O)C(F)F
BDBM372996 OCc1c(Br)c(Oc2cc(F)cc(c2)C#N)ccc1S(=O)(=O)C(F)F
BDBM372997 Fc1cc(Cl)cc(Oc2ccc(c(C#N)c2Br)S(=O)(=O)C(F)(F)F)c1
BDBM372998 FC(F)(F)S(=O)(=O)c1ccc(Oc2cccc(c2)C#N)c(Br)c1C#N
BDBM372999 OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)(F)F
BDBM373000 FC(F)c1cc(ccc1Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)(F)F
BDBM373001 FC(F)S(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c(Br)c1
BDBM373002 FC(F)S(=O)(=O)c1ccc(Oc2cc(F)cc(Cl)c2)c(c1)C#N
BDBM373003 O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(c1)C#N)S(=O)(=O)C(F)F |r|
BDBM373004 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(Cl)c1)ccc2S(=O)(=O)C(F)F |r|
BDBM373005 CS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)C(O)c12
BDBM373006 CS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373008 CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373011 CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](N)c12 |r|
BDBM373012 Cc1cc(Oc2ccc(c3[C@H](O)C(F)(F)Cc23)S(=O)(=O)CF)cc(c1)C#N |r|
BDBM373013 O[C@H]1c2c(CC1(F)F)c(Oc1cc(Cl)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
BDBM373014 Fc1cc(Cl)cc(Oc2ccc(c(Cl)c2Br)S(=O)(=O)C(F)(F)F)c1
BDBM373015 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373016 O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373017 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)c(F)c(F)c1)ccc2S(=O)(=O)CF |r|
BDBM373019 CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)C(O)c12
BDBM373021 O[C@H]1c2c(CC1(F)F)c(Oc1ccc(F)c(F)c1)ccc2S(=O)(=O)C(F)F |r|
BDBM373023 [O-][N+](=O)c1c(Cl)c(ccc1Oc1cc(F)cc(Cl)c1)C(F)(F)F
BDBM373024 O[C@@H]1[C@H](F)Cc2c1c(ccc2Oc1cncc(c1)C#N)S(=O)(=O)C(F)(F)F |r|
BDBM373025 O[C@H]1c2c(CC1(F)F)c(Oc1ccc(F)c(c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373026 O[C@H]1c2c(CC1(F)F)c(Oc1ccc(F)cc1)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373027 CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@@H](F)[C@@H](O)c12 |r|
BDBM373028 O[C@H]1c2c(CC1(F)F)c(Oc1ccc(F)c(F)c1)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373029 CS(=O)(=O)c1ccc(Oc2cc(Cl)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373030 O[C@H]1c2c(CC1(F)F)c(Oc1cncc(c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373031 O[C@H]1c2c(CC1(F)F)c(Oc1cccc(c1)C#N)ccc2S(=O)(=O)C(F)F |r|
BDBM373034 CNS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373035 NS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373036 CNS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373037 NS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373038 O[C@H]1c2c(CC1(F)F)c(Oc1cc(c[n+]([O-])c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373039 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=N)(=O)CF |r|
BDBM373040 CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)[C@@H](F)[C@@H](O)c12 |r|
BDBM373041 CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)C(F)(F)[C@@H](O)c12 |r|
BDBM373042 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2C(F)(F)F |r|
BDBM373043 CS(=O)(=O)c1ccc(Oc2cc(F)cc(Br)c2)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373046 O[C@H]1c2c(CC1(F)F)c(Oc1cncc(c1)C#N)ccc2C(F)(F)F |r|
BDBM373047 O[C@H]1c2c(CC1(F)F)c(Oc1cncc(F)c1)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373048 O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)c[n+]([O-])c1)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM373049 CS(=O)(=O)c1ccc(Oc2cncc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373052 CS(=O)(=O)c1ccc(Oc2cncc(c2)C#N)c2[C@@H](F)C(F)(F)[C@@H](O)c12 |r|
BDBM373032 CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
BDBM373050 CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)C(F)(F)[C@@H](O)c12 |r|
BDBM400041 OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C#N
BDBM438012 O[C@H]1c2c(CC1(F)F)c(Oc1cc(c[n+](O)c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
BDBM438062 CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@H](F)C(F)(F)[C@H](O)c12 |r|
BDBM566616 O[C@]12C[C@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
BDBM566614 OC12CC(=C)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
BDBM566615 OC12CC(F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
BDBM566617 O[C@]12C[C@@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
BDBM566618 OC12CC(F)c3c1c(ccc3Oc1cncc(F)c1)C(F)(F)C2(F)F
BDBM566619 OC12CC3(CC3)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
BDBM566620 CC1CC2(O)c3c(ccc(Oc4cc(F)cc(c4)C#N)c13)C(F)(F)C2(F)F
BDBM566621 CC1(O)CC2(O)c3c(ccc(Oc4cc(F)cc(c4)C#N)c13)C(F)(F)C2(F)F
BDBM566622 CC1(F)CC2(O)c3c(ccc(Oc4cc(F)cc(c4)C#N)c13)C(F)(F)C2(F)F
BDBM566623 OC12CCc3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
BDBM566624 NC12CC(F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
BDBM566625 Fc1cc(Oc2ccc3c4c2C(F)(F)CC4(F)C(F)(F)C3(F)F)cc(c1)C#N
BDBM566626 OC12CC(F)c3ccc(Oc4cc(F)cc(c4)C#N)c(CC1(F)F)c23
BDBM566628 O[C@]12CC(=C)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
BDBM566629 O[C@]12[C@H](F)[C@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
BDBM566630 O[C@]12[C@@H](F)[C@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|