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935 SMILES Strings for Mineralocorticoid receptor (MR)

Compound NameSMILES String
BDBM150275 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |r,t:10|
BDBM8903 [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
BDBM19190 [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
BDBM19214 [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
BDBM18627 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
BDBM18207 [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
BDBM21725 [H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |w:6.6,t:20|
BDBM50001764 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1
BDBM50001763 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C
BDBM50001767 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1
BDBM50001820 CCC(C)(C)C(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC
BDBM50001865 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CCC1
BDBM50001819 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(C)(C)C
BDBM50001873 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CCCC1
BDBM50001766 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C
BDBM50001768 Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(C)(C)C |r|
BDBM50001769 COc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2[nH]1
BDBM50001770 CCC(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC
BDBM50001818 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(C)C
BDBM50001844 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CC1
BDBM50001918 Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cnccc2[nH]1)C(C)(C)C |r|
BDBM50009625 COc1cc(OC)cc(c1)-c1cnc([nH]1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
BDBM50009629 COc1cc(OC)cc(c1)-c1nnc([nH]1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
BDBM50009631 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(Cc2ccccc2)o1)c1ccccc1 |r|
BDBM50009584 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r|
BDBM50009586 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1ncc(o1)-c1ccccc1)c1ccccc1 |r|
BDBM50009588 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1ncc([nH]1)-c1ccccc1)c1ccccc1 |r|
BDBM50009627 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(Cc2ccccc2)[nH]1)c1ccccc1 |r|
BDBM50009635 COc1cc(OC)nc(n1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
BDBM121404 Cc1ccccc1-n1nccc1-c1ccnc(NC(N)=O)c1
BDBM121405 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccccc1Cl
BDBM121406 COc1ccccc1-n1nccc1-c1ccnc(NC(N)=O)c1
BDBM121403 NC(=O)Nc1cc(ccn1)-c1ccnn1C1CCCC1
BDBM121442 COc1ccc(CCc2ccnc(NC(N)=O)c2)cc1
BDBM121443 NC(=O)Nc1cc(CCc2ccc(cc2)C(F)(F)F)ccn1
BDBM121444 Cc1cc(F)ccc1CCc1ccnc(NC(N)=O)c1
BDBM121445 NC(=O)Nc1cc(CCc2ccc(F)c(c2)C(F)(F)F)ccn1
BDBM121446 Cn1cnc(c1-c1ccnc(NC(N)=O)c1)-c1ccc(F)cc1
BDBM121447 COc1ccc(Cn2cnc(c2-c2ccnc(NC(N)=O)c2)-c2ccc(F)cc2)c(OC)c1
BDBM121448 NC(=O)Nc1cc(ccn1)-c1nc[nH]c1-c1ccc(F)cc1
BDBM121449 Cn1cnc(c1-c1ccc(F)cc1)-c1ccnc(NC(N)=O)c1
BDBM121450 NC(=O)Nc1cc(ccn1)-c1ocnc1-c1ccc(F)cc1
BDBM121451 NC(=O)Nc1cc(ccn1)N1CCCC1c1ccc(F)cc1
BDBM121407 CCCn1nccc1-c1ccnc(NC(N)=O)c1
BDBM121408 CC(C)n1nccc1-c1ccnc(NC(N)=O)c1
BDBM121409 Cc1cc(F)ccc1-n1nccc1-c1ccnc(NC(N)=O)c1
BDBM121410 Cc1cccc(c1)-n1nccc1-c1ccnc(NC(N)=O)c1
BDBM121411 Cc1ccc(cc1)-n1nccc1-c1ccnc(NC(N)=O)c1
BDBM121412 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1cccc(Cl)c1
BDBM121413 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccc(Cl)cc1
BDBM121414 COc1cccc(c1)-n1nccc1-c1ccnc(NC(N)=O)c1
BDBM121415 COc1ccc(cc1)-n1nccc1-c1ccnc(NC(N)=O)c1
BDBM121416 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1cccc(F)c1
BDBM121417 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccccc1F
BDBM121452 NC(=O)Nc1cc(ccn1)C1=C(CCCC1)c1ccc(F)cc1 |t:11|
BDBM121453 NC(=O)Nc1cc(ccn1)C1CCCCC1c1ccc(F)cc1
BDBM121418 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1nccs1
BDBM121419 NC(=O)Nc1cc(ccn1)-c1ccnn1Cc1ccc(F)cc1
BDBM121420 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccc(F)cc1Cl
BDBM121421 NC(=O)Nc1cc(CCc2ccc(F)cc2)ccn1
BDBM121422 NC(=O)Nc1cc(CCc2cccc(F)c2)ccn1
BDBM121423 COc1cccc(CCc2ccnc(NC(N)=O)c2)c1
BDBM121424 Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1
BDBM121425 Cc1ccc(cc1)C(O)Cc1ccnc(NC(N)=O)c1
BDBM121426 NC(=O)Nc1cc(CC(O)c2cccc(F)c2)ccn1
BDBM121427 NC(=O)Nc1cc(CC(c2ccccc2)c2ccccc2)ccn1
BDBM121428 CC(Cc1ccnc(NC(N)=O)c1)c1ccccc1C
BDBM121429 Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)C1CC1
BDBM121430 CC(O)(Cc1ccnc(NC(N)=O)c1)c1ccccc1
BDBM121431 CC(Cc1ccnc(NC(N)=O)c1)c1ccccc1
BDBM121432 NC(=O)Nc1cc(CC(C2CC2)c2ccccc2)ccn1
BDBM121433 NC(=O)Nc1cc(CC(CCC#N)c2ccccc2)ccn1
BDBM121434 Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)c1ccccc1
BDBM121435 NC(=O)Nc1cc(CCc2cccc(c2)C(F)(F)F)ccn1
BDBM121436 Cc1cccc(CCc2ccnc(NC(N)=O)c2)c1
BDBM121437 Cc1ccccc1CC(C)(O)c1ccnc(NC(N)=O)c1
BDBM121438 COc1ccccc1CCc1ccnc(NC(N)=O)c1
BDBM121398 NC(=O)Nc1cc(ccn1)-c1cc(nn1-c1ccc(F)cc1)C(F)(F)F
BDBM121399 NC(=O)Nc1cc(ccn1)-c1cc(nn1-c1ccccc1)C(F)(F)F
BDBM121400 NC(=O)Nc1cc(ccn1)-c1cc(nn1C1CCCC1)C(F)(F)F
BDBM121401 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccc(F)cc1
BDBM121402 NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccccc1
BDBM121439 NC(=O)Nc1cc(CCc2ccccc2F)ccn1
BDBM121440 NC(=O)Nc1cc(CCc2ccccc2C(F)(F)F)ccn1
BDBM121441 NC(=O)Nc1cc(CCc2ccccc2)ccn1
BDBM50049509 COc1cc(C[C@H]2C(=C)CCCC2(C)C)c(O)cc1Br
BDBM50049486 CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
BDBM50062405 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(c4)C(F)(F)F)c3c12 |t:1|
BDBM50062406 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
BDBM50062407 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Br)c4)c3c12 |t:1|
BDBM50062409 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12 |t:1|
BDBM50062410 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccccc4)c3c12 |t:1|
BDBM50062411 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)cc4)c3c12 |t:1|
BDBM50062413 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(C)cc(Br)c4)c3c12 |t:1|
BDBM50062414 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1|
BDBM50062415 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(F)c4)c3c12 |t:1|
BDBM50062416 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)c(F)c4)c3c12 |t:1|
BDBM50062417 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
BDBM50062421 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(Cl)cc(Cl)c4)c3c12 |t:1|
BDBM50062423 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(Cl)c4)c3c12 |t:1|
BDBM50062433 CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccccc4)c3c12 |t:1|
BDBM50066526 CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
BDBM50069065 C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
BDBM50069067 C[C@H]1CC[C@H]2Nc3cc4n(C)c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F
BDBM50069059 C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
BDBM50069062 C[C@]12CCCC[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
BDBM50069068 C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50069069 Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
BDBM50069070 CN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
BDBM50069071 FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
BDBM50067668 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1|
BDBM50067670 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1|
BDBM50067671 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cc(F)ccc4F)c3c12 |t:1|
BDBM50067678 C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
BDBM50067686 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(F)c(F)c4)c3c12 |t:1|
BDBM50072715 CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(F)cc-34)c12 |t:1|
BDBM50076684 FC(F)(F)C1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50076685 CCC1Nc2cc3oc(=O)cc(c3cc2CC1C)C(F)(F)F
BDBM50076687 CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50076691 CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
BDBM50076692 CCCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50076693 CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50076695 CC1=CC(C)(C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |t:1|
BDBM50086539 Cc1cc(sc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
BDBM50086542 CC1(C)Nc2ccc(cc2C(C)(C)C1=O)-c1csc(c1)C#N
BDBM50086546 CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
BDBM50086550 Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
BDBM50086551 CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
BDBM50103246 COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
BDBM50103247 COc1cccc2OC(c3cccc(c3)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
BDBM50103249 COc1cccc2OC(c3cccc(OCSC)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
BDBM50103251 COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
BDBM50103254 COc1cccc2OC(c3cccc(OC(=O)N(C)C)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:31|
BDBM50118690 CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
BDBM50118691 CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
BDBM50118688 CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
BDBM50118694 CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
BDBM50129145 [#6]\[#6](-[#6])=[#6]\[#6]=[#6]-1/[#8]-c2ccc(F)cc2-c2ccc3-[#7]C([#6])([#6])[#6]=[#6](-[#6])-c3c-12 |t:23|
BDBM50129146 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/Br)c3c12 |t:1|
BDBM50129149 [#6]-[#6]-1=[#6]C([#6])([#6])[#7]-c2ccc3-c4cc(F)ccc4-[#8]\[#6](=[#6]-4/[#16]-[#6]-[#6]-[#6]-[#16]-4)-c3c-12 |t:1|
BDBM50129152 C[C@H]1CC2[C@@H]3CC[C@](CC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:28|
BDBM50129165 CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|
BDBM50133133 CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4C)c3c12 |t:1|
BDBM50133136 CCc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|
BDBM50133140 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccsc4)c3c12 |t:1|
BDBM50133153 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4C)c3c12 |t:1|
BDBM50144457 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
BDBM50144467 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F
BDBM50144147 COc1cccc2OC(c3ccc(C)cc3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144149 COc1cccc2OC(c3cccc(F)c3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144150 COc1cccc2OC(c3cccs3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144153 COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144155 CCOc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144158 COc1cccc2OC(c3ccccc3)c3c(Br)c(NS(C)(=O)=O)ccc3-c12
BDBM50144159 COc1cccc2OC(c3cccc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144161 COc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144164 COc1cccc2OC(c3cccc(Cl)c3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144169 COc1cccc2OC(c3ccc(F)cc3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144173 CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
BDBM50151059 C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:65,72|
BDBM50151060 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151061 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:59,66|
BDBM50151063 C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151065 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)S(=O)(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:64,71|
BDBM50151066 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151067 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151068 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:60,67|
BDBM50151069 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
BDBM50151070 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151071 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
BDBM50151072 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:44,51|
BDBM50151073 C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43|
BDBM50151074 CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
BDBM50172019 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2C(=O)OCc2c1)Cc1ccccc1
BDBM50172020 Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12
BDBM50172021 CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O
BDBM50172022 Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12
BDBM50172023 CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
BDBM50172024 CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O
BDBM50172025 CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
BDBM50172027 CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O
BDBM50172028 CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1ccccc1
BDBM50172030 CC(C)C(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1
BDBM50172033 Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12
BDBM50172035 CC(C)(C)c1ccc(CC(O)(CC(C)(C)c2ccccc2)C(=O)Nc2ccc3C(=O)OCc3c2)cc1
BDBM50172040 CC(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1
BDBM50188390 CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12|
BDBM50198945 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl |w:1.0|
BDBM50198946 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
BDBM50198947 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)(C)C |w:1.0|
BDBM50198953 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1Cl |w:1.0|
BDBM50198956 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |w:1.0|
BDBM50198959 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl |w:1.0|
BDBM50198964 C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50198968 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)C |w:1.0|
BDBM50198973 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
BDBM50198978 C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50201080 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cnc2ccccc12)C(F)(F)F
BDBM50201081 CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1cccc2CCOc12
BDBM50201082 Cc1ccc(O)c(c1)C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
BDBM50201083 COc1ccc(C)c(c1)C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
BDBM50201084 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cnc(=O)c2ccccc12)C(F)(F)F
BDBM50201086 COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@H](C)C(=O)[C@H](C)C1)C(F)(F)F |r|
BDBM50201087 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)c(=O)c(C)c1)C(F)(F)F
BDBM50201088 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc12)C(F)(F)F
BDBM50201090 CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1cc(F)ccc1O
BDBM50201091 COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@H](C)O[C@H](C)C1)C(F)(F)F |r|
BDBM50201092 Cc1ccc(O)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
BDBM50201093 CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccc(F)cc1O
BDBM50201094 Cc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
BDBM50201095 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ncccc12)C(F)(F)F
BDBM50201096 CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccccc1O
BDBM50201097 Cc1ccccc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
BDBM50201098 COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC(=O)CC1)C(F)(F)F
BDBM50201099 Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
BDBM50201100 COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC(=O)c2ccccc12)C(F)(F)F
BDBM50201101 COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCCc2ccccc12)C(F)(F)F
BDBM50201102 CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccccc1
BDBM50201103 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccnc1)C(F)(F)F
BDBM50201104 COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
BDBM50201105 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)cc1)C(F)(F)F
BDBM50201106 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)nc1C)C(F)(F)F
BDBM50201108 COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@H](C)O[C@@H](C)C1)C(F)(F)F |r|
BDBM50201109 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
BDBM50201110 COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCOCC1)C(F)(F)F
BDBM50201111 COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCOc2ccccc12)C(F)(F)F
BDBM50214922 COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
BDBM50214923 COc1c(O)ccc2O\C(=C/c3ccc(F)cc3CO)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30|
BDBM50214929 COCOCc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:27.38,26.28,c:26,35,39|
BDBM50216474 Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
BDBM50216479 COc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
BDBM50216480 COc1ccccc1C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
BDBM50216485 Clc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
BDBM50216488 Clc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)N1CCC(CC1)c1ccccc1
BDBM50216491 O=c1[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1
BDBM50219444 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1Cl)C#N)C(F)(F)F |w:13.14|
BDBM50219445 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)c2ccccc12)C(F)(F)F |w:13.14|
BDBM50219446 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1F)C#N)C(F)(F)F |w:13.14|
BDBM50219447 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F |w:13.14|
BDBM50219448 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F |w:13.14|
BDBM50219449 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F |w:13.14|
BDBM50219450 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)cc1)C(F)(F)F |w:13.14|
BDBM50219451 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(c1)C#N)C(F)(F)F |w:13.14|
BDBM50219452 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1)C(F)(F)F |w:13.14|
BDBM50219453 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F |w:13.14|
BDBM50219454 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(c1)C#N)C(F)(F)F |w:13.14|
BDBM50219455 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1C)C(F)(F)F |w:13.14|
BDBM50219456 COc1ccc(F)cc1C(C)(C)CC(O)(CCc1ccccc1)C(F)(F)F |w:13.14|
BDBM50219457 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)c(C#N)c(C)c1)C(F)(F)F |w:13.14|
BDBM50219458 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1Cl)C(F)(F)F |w:13.14|
BDBM50219459 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1Cl)C(F)(F)F |w:13.14|
BDBM50219460 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F |w:13.14|
BDBM50219461 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(F)(F)F |w:13.14|
BDBM50219462 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1)C(F)(F)F |w:13.14|
BDBM50219463 COc1ccc(F)cc1C(C)(C)CC(O)(c1ccccc1)C(F)(F)F |w:13.14|
BDBM50219464 COc1ccc(F)cc1C(C)(C)CC(O)(CCCc1ccccc1)C(F)(F)F |w:13.14|
BDBM50219465 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)ccc1Cl)C(F)(F)F |w:13.14|
BDBM50219466 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(C)ccc2ccccc12)C(F)(F)F |w:13.14|
BDBM50219467 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1)C#N)C(F)(F)F |w:13.14|
BDBM50219468 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(Cl)c1)C(F)(F)F |w:13.14|
BDBM50219469 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Cl)C(F)(F)F |w:13.14|
BDBM50219470 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1F)C(F)(F)F |w:13.14|
BDBM50219471 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1)C(F)(F)F |w:13.14|
BDBM50219472 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(Cl)cccc1Cl)C(F)(F)F |w:13.14|
BDBM50219473 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)c1)C(F)(F)F |w:13.14|
BDBM50219474 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc2ccccc12)C(F)(F)F |w:13.14|
BDBM50219475 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Br)C(F)(F)F |w:13.14|
BDBM50219476 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1)C(F)(F)F |w:13.14|
BDBM50219477 COc1ccc(CC(O)(CC(C)(C)c2cc(F)ccc2OC)C(F)(F)F)cc1 |w:7.7|
BDBM50228076 C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
BDBM50228077 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2[C@@H]3O[C@@H]3[C@@]3(C)C(CC[C@@]33CCC(=O)O3)C12 |t:6|
BDBM50228078 C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
BDBM50228079 C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
BDBM50228080 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|
BDBM50228081 C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
BDBM50226465 CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |w:1.0,t:10|
BDBM50264310 Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
BDBM50264311 Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
BDBM50264351 Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
BDBM50264352 Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
BDBM50243394 CC1=C[C@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27|
BDBM50270575 CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
BDBM50270630 CCC1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccco1
BDBM50270631 Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
BDBM50296943 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
BDBM50298028 CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
BDBM50298036 CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C
BDBM50312005 C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)C(=O)CC[C@]21C |r|
BDBM50312006 C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)[C@H](O)CC[C@]21C |r|
BDBM50326932 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ncccc12)C(F)(F)F
BDBM50326933 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
BDBM50326934 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F
BDBM50326935 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2s1)C(F)(F)F
BDBM50326936 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(F)(F)F
BDBM50326937 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccnc2[nH]1)C(F)(F)F
BDBM50326938 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2o1)C(F)(F)F
BDBM50326939 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncccc2[nH]1)C(F)(F)F
BDBM50326940 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccn2n1)C(F)(F)F
BDBM50326941 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc[n+]([O-])cc2[nH]1)C(F)(F)F
BDBM50326942 COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ccncc12)C(F)(F)F
BDBM50326943 COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F |r|
BDBM50326944 COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F |r|
BDBM50326945 COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F |r|
BDBM50326946 CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
BDBM50326947 CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
BDBM50326948 CC(C)(C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
BDBM50326949 CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc2CCOc12
BDBM50326950 CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cccnc1
BDBM50326951 CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cncnc1
BDBM50326952 COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r|
BDBM50326953 CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc(F)c1
BDBM50326954 COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccncc1
BDBM50326955 CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1ccccc1
BDBM50326956 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
BDBM50326957 CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2CCOc12
BDBM50326958 CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1ccccc1
BDBM50326959 COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1
BDBM50321176 Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1
BDBM50318934 CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
BDBM50318943 CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
BDBM50318295 CC1=NC(C)=C([C@@H](C1C#N)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C |r,c:4,t:1|
BDBM50318296 CCCC1=C([C@@H](C(C#N)C(C)=N1)c1ccnc2ccccc12)C(=O)OCC |r,c:10,t:3|
BDBM50318297 COC(=O)C1=C(CCl)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl |r,c:4,t:8|
BDBM50318298 COC(=O)C1[C@H](C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |r,c:16,t:13|
BDBM50318299 COC(=O)C1=C(C)N=C(C)C(C#N)[C@H]1c1ccnc2ccccc12 |r,c:4,t:7|
BDBM50318300 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |r,t:6|
BDBM50318301 COC(=O)C1=C(CCl)N=C(C)C(C#N)[C@H]1c1ccnc2ccccc12 |r,c:4,t:8|
BDBM50318302 COC(=O)C1=C(C)N=C(C)C(C#N)[C@@H]1c1ccnc2ccccc12 |r,c:4,t:7|
BDBM50318303 COC(=O)C1[C@@H](C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |r,c:16,t:13|
BDBM50318304 COC(=O)C1=C(CCl)N=C(C)C(C#N)[C@@H]1c1ccc(F)cc1Cl |r,c:4,t:8|
BDBM50318305 COC(=O)C1=C(CCl)N=C(C)C(C#N)[C@@H]1c1ccnc2ccccc12 |r,c:4,t:8|
BDBM50318306 CCCC1=C([C@H](C(C#N)C(C)=N1)c1ccnc2ccccc12)C(=O)OCC |r,c:10,t:3|
BDBM50318307 CC1=NC(C)=C([C@H](C1C#N)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C |r,c:4,t:1|
BDBM50323524 CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.01,-37.57,;28.39,-38.98,;26.86,-39.15,;29.3,-40.22,;30.85,-40.22,;31.33,-41.69,;30.08,-42.6,;28.83,-41.7,;27.5,-42.46,;26.16,-41.7,;24.83,-42.47,;23.48,-41.71,;22.16,-42.49,;22.17,-44.02,;20.84,-44.79,;20.84,-46.33,;19.5,-44.03,;18.17,-44.8,;18.18,-46.35,;16.84,-47.12,;15.5,-46.35,;15.51,-44.81,;16.84,-44.04,;14.17,-47.12,;12.84,-46.35,;14.17,-48.66,;23.5,-44.79,;24.83,-44.01,;23.5,-46.33,;22.17,-47.1,;24.84,-47.1,;23.49,-47.86,;30.09,-44.13,;31.42,-44.89,;32.75,-44.11,;31.43,-46.43,;30.1,-47.21,;28.76,-46.45,;28.75,-44.91,;27.42,-44.14,)|
BDBM50324127 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)C#N |c:16,t:13|
BDBM50324128 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(OC)c1 |c:16,t:13|
BDBM50324129 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(Cl)c1 |c:16,t:13|
BDBM50324130 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)C(F)(F)F |c:16,t:13|
BDBM50324131 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(O)c1 |c:16,t:13|
BDBM50324132 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(F)c1 |c:16,t:13|
BDBM50324133 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(cc1)C(F)(F)F |c:16,t:13|
BDBM50324134 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(O)cc1 |c:16,t:13|
BDBM50324135 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(F)cc1 |c:16,t:13|
BDBM50324136 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(C)cc1 |c:16,t:13|
BDBM50324137 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(OC)cc1 |c:16,t:13|
BDBM50324138 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(Cl)cc1 |c:16,t:13|
BDBM50324139 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(F)cc1Cl |c:16,t:13|
BDBM50324140 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccc(Cl)c(F)c1 |c:16,t:13|
BDBM50324141 CC1=NC(C)=C(C(C1C#N)c1ccc(F)cc1)C(=O)OC(C)(C)C |c:4,t:1|
BDBM50324142 CC1=NC(C)=C(C(=O)OC(C)(C)C)C(C)(C1C#N)c1ccc(F)cc1 |t:1,4|
BDBM50324143 CC1=NC(C)=C(C(C1C#N)c1ccc(F)cc1F)C(=O)OC(C)(C)C |c:4,t:1|
BDBM50324144 CCN1C(C)=C(C#N)C(C(C(=O)OC(C)(C)C)=C1C)c1ccc(F)cc1F |c:16,t:4|
BDBM50324145 COCCN1C(C)=C(C#N)C(C(C(=O)OC(C)(C)C)=C1C)c1ccc(F)cc1F |c:18,t:6|
BDBM50324146 COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:7|
BDBM50324147 COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccccc1Cl |c:4,t:7|
BDBM50324148 CCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:9,t:2|
BDBM50324149 CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:10,t:3|
BDBM50324150 COC(=O)C1=C(N=C(C)C(C#N)C1c1ccccc1Cl)C(C)C |t:4,6|
BDBM50324151 CCCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:11,t:4|
BDBM50324152 COCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:10,t:3|
BDBM50324153 CCOC(=O)C1=C(N=C(C)C(C#N)C1c1ccccc1Cl)c1ccccc1 |t:5,7|
BDBM50324154 CCOC(=O)C1=C(N=C(C)C(C#N)C1c1ccccc1Cl)c1ccc(Cl)cc1 |t:5,7|
BDBM50324155 COC(=O)C1=C(Cc2ccccc2)N=C(C)C(C#N)C1c1ccccc1Cl |c:4,t:14|
BDBM50324156 CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1)C(=O)OC |c:10,t:3|
BDBM50324157 CCCC1=C(C(C(C#N)C(C)=N1)c1ccc(F)cc1Cl)C(=O)OC |c:10,t:3|
BDBM50324158 COC(=O)C1=C(N=C(C)C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F |t:4,6|
BDBM50324159 COC(=O)C1=C(N(C)C(C)=C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F |t:4,9|
BDBM50324160 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(cc1)C#N |r,t:7|
BDBM50324161 Oc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O |t:8|
BDBM50324162 Fc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |c:10|
BDBM50324163 Fc1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |r,c:10|
BDBM50324164 Fc1ccc(cc1)[C@@H]1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |r,c:10|
BDBM50324165 Cc1nc(C)c(s1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:8|
BDBM50324166 CN(C)CCN(C)C(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N |t:16|
BDBM50324167 OC(=O)c1ccc(cc1)C1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |c:12|
BDBM50324168 OC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc2[nH]c(=O)oc2c1 |c:11|
BDBM50324169 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N |t:10|
BDBM50324170 OC(=O)c1ccc(cc1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:10|
BDBM50324171 OC(=O)c1ccc(cc1)C1=NN([C@@H](C1)c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:10|
BDBM50324172 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccccc1 |t:10|
BDBM50324173 CCOC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O |c:13|
BDBM50324174 OC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O |c:11|
BDBM50324175 COc1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O |c:10|
BDBM50324176 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(C#N)c(F)c1 |t:10|
BDBM50324177 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1F)C#N |t:10|
BDBM50324178 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |t:10|
BDBM50324179 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1Cl)C#N |t:10|
BDBM50324180 Cc1cc(ccc1C#N)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O |c:11|
BDBM50324181 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(C#N)c(c1)C(F)(F)F |t:10|
BDBM50324182 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(C#N)c(c1)C#N |t:10|
BDBM50324183 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccncc1)c1ccc(cc1)C#N |t:10|
BDBM50324184 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1cccnc1)c1ccc(cc1)C#N |t:10|
BDBM50324185 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccccn1)c1ccc(cc1)C#N |t:10|
BDBM50324186 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccc(cc1)C#N |t:10|
BDBM50324187 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1cccs1)c1ccc(cc1)C#N |t:10|
BDBM50324188 OC(=O)c1ccc(cc1)C1=NN(C(Cc2ccccc2)C1)c1ccc(cc1)C#N |t:10|
BDBM50324189 OC(=O)c1ccc(cc1)C1=NN(C(C1)c1cccc(F)c1)c1ccc(cc1)C#N |t:10|
BDBM50324190 COc1cccc(c1)C1CC(=NN1c1ccc(cc1)C#N)c1ccc(cc1)C(O)=O |c:11|
BDBM50324191 OC(=O)c1ccc(cc1)C1=NN(C(C1)C1CCCCC1)c1ccc(cc1)C#N |t:10|
BDBM50324192 OC(=O)c1ccc(cc1)C1=NN(C(C1)C1CCCC1)c1ccc(cc1)C#N |t:10|
BDBM50324193 CC(C)C1CC(=NN1c1ccc(C#N)c(Cl)c1)c1ccc(cc1)C(O)=O |c:5|
BDBM50324194 CC(C)CC1CC(=NN1c1ccc(cc1)C#N)c1ccc(cc1)C(O)=O |c:6|
BDBM50324195 OC(=O)c1ccc(cc1)C1=NN(C(C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |t:10|
BDBM50324196 OC(=O)c1ccc(cc1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:10|
BDBM50324197 OC(=O)c1ccc(cc1F)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:11|
BDBM50324198 OC(=O)c1ccc(cc1Cl)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:11|
BDBM50324199 COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|
BDBM50324200 COc1cc(ccc1C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1)C(O)=O |r,t:9|
BDBM50324201 CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:13|
BDBM50324202 OCCCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:15|
BDBM50324203 OC(=O)c1ccc(cc1OC(F)(F)F)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:15|
BDBM50324204 OC(=O)Cc1ccc(cc1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:11|
BDBM50324205 COc1cc(ccc1C(O)=O)C1=NN([C@@H](C2CCCC2)[C@H]1C)c1ccc(C#N)c(Cl)c1 |r,t:12|
BDBM50324206 OC(=O)c1ccc2C3=NN([C@H]([C@H]3Cc2c1)c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:7|
BDBM50324207 OC(=O)c1ccc2C3=NN([C@H]([C@H]3CCc2c1)c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:7|
BDBM50324208 OC(=O)c1ccc2C3=NN([C@@H]([C@@H]3CCc2c1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50324209 OC(=O)c1ccc2C3=NN([C@H]([C@H]3CCc2c1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50324210 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50324211 OC(=O)c1ccc2C3=NN([C@@H](C4CCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50324212 OC(=O)c1ccc2C3=NN([C@@H](C4CC=CC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,c:13,t:7|
BDBM50324213 OC(=O)c1ccc2C3=NN([C@@H](C4CCCO4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50324214 OC(=O)c1ccc2C3=NN([C@H]([C@H]3CCc2c1)C1OC=CC=C1)c1ccc(C#N)c(Cl)c1 |r,c:21,23,t:7|
BDBM50324215 Cc1cc(ccc1C#N)N1N=C2[C@H](CCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:11|
BDBM50324216 COc1cc(ccc1C#N)N1N=C2[C@H](CCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:12|
BDBM50324217 COCc1cc(ccc1C#N)N1N=C2[C@H](CCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:13|
BDBM50324218 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(OCc2ccccc2)c1 |r,t:7|
BDBM50324219 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(O)c1 |r,t:7|
BDBM50324220 OC(=O)c1ccc2C3=NN([C@H]([C@H]3OCc2c1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50324221 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3OCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50324222 OC(=O)c1ccc2C3=NN([C@H](C4CCCC4)[C@@H]3OCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50324223 Cc1cc(ccc1C#N)N1N=C2[C@@H](OCc3cc(ccc23)C(O)=O)[C@H]1C1CCCC1 |r,c:11|
BDBM50324224 C[C@]12CCc3cc(ccc3C1=NN([C@H]2C1CCCC1)c1ccc(C#N)c(Cl)c1)C(O)=O |r,c:12|
BDBM50324226 Cc1cc(ccc1C#N)N1N=C2[C@H](OCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:11|
BDBM50324227 OC(=O)c1ccc(cc1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:10|
BDBM50323530 CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(21.34,-24.3,;21.34,-22.76,;20,-21.99,;18.67,-22.77,;17.33,-22,;16,-22.77,;16,-24.32,;17.34,-25.09,;18.67,-24.32,;17.34,-26.63,;16,-27.4,;18.67,-27.4,;22.67,-21.98,;22.65,-20.45,;23.98,-19.67,;25.32,-20.44,;26.66,-19.66,;28,-20.43,;29.32,-19.66,;29.79,-18.19,;31.35,-18.19,;31.83,-19.65,;30.58,-20.57,;30.59,-22.1,;31.92,-22.86,;33.25,-22.08,;31.93,-24.4,;30.6,-25.18,;29.26,-24.41,;29.25,-22.87,;27.92,-22.11,;28.88,-16.95,;28.71,-15.42,;27.47,-16.33,;25.33,-21.98,;24,-22.75,;24,-24.29,;22.67,-25.06,;25.34,-25.06,;23.99,-25.83,)|
BDBM50323533 CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)|
BDBM50324115 COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
BDBM50324116 COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl |r,c:4,t:13|
BDBM50324117 COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
BDBM50324118 COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
BDBM50324119 COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
BDBM50324121 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1Cl |c:16,t:13|
BDBM50324122 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1F |c:16,t:13|
BDBM50324123 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F |c:16,t:13|
BDBM50324124 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1C |c:16,t:13|
BDBM50324125 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1ccccc1OC |c:16,t:13|
BDBM50324126 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(C)c1 |c:16,t:13|
BDBM50338729 C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(-.28,-33.91,;-.28,-35.45,;1.06,-36.23,;2.39,-35.46,;3.72,-36.23,;3.72,-37.77,;5.06,-35.47,;6.39,-36.24,;6.38,-37.78,;7.71,-38.55,;9.05,-37.78,;9.05,-36.24,;7.72,-35.47,;10.38,-38.56,;11.72,-37.79,;10.38,-40.1,;1.05,-37.77,;2.59,-37.77,;1.04,-39.31,;-.29,-38.54,;-1.62,-37.77,;-2.95,-38.54,;-4.28,-37.77,;-5.62,-38.54,;-4.28,-36.23,;-2.95,-35.46,;-2.96,-33.92,;-1.62,-36.22,;-5.61,-35.46,;-5.61,-33.92,;-6.94,-33.15,;-8.28,-33.92,;-8.27,-35.48,;-9.4,-36.51,;-8.76,-37.9,;-7.24,-37.73,;-6.94,-36.23,)|
BDBM50338730 C[C@@H]1[C@@H](OC(=O)Nc2cccc(c2)C#N)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(22.68,-34.96,;22.68,-36.5,;24.02,-37.28,;25.36,-36.51,;26.69,-37.28,;26.69,-38.82,;28.03,-36.52,;29.36,-37.29,;29.35,-38.83,;30.68,-39.6,;32.02,-38.83,;32.02,-37.29,;30.69,-36.52,;33.35,-36.52,;34.68,-35.74,;24.02,-38.82,;25.56,-38.82,;24.01,-40.36,;22.68,-39.59,;21.35,-38.82,;20.02,-39.59,;18.69,-38.82,;17.35,-39.59,;18.69,-37.28,;20.02,-36.51,;20.01,-34.97,;21.35,-37.27,;17.35,-36.51,;17.36,-34.97,;16.03,-34.2,;14.69,-34.97,;14.7,-36.53,;13.57,-37.56,;14.21,-38.95,;15.73,-38.78,;16.03,-37.28,)|
BDBM50338731 C[C@@H]1[C@@H](OC(=O)Nc2cccc(c2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(.23,-44.76,;.23,-46.3,;1.57,-47.08,;2.9,-46.31,;4.24,-47.08,;4.23,-48.62,;5.57,-46.32,;6.9,-47.09,;6.9,-48.63,;8.23,-49.4,;9.57,-48.63,;9.56,-47.09,;8.23,-46.32,;10.9,-46.32,;12.23,-47.08,;10.9,-44.78,;1.57,-48.62,;3.1,-48.62,;1.56,-50.16,;.23,-49.39,;-1.11,-48.62,;-2.43,-49.39,;-3.77,-48.62,;-5.1,-49.39,;-3.77,-47.08,;-2.44,-46.31,;-2.44,-44.77,;-1.1,-47.07,;-5.1,-46.31,;-5.09,-44.77,;-6.43,-44,;-7.76,-44.77,;-7.76,-46.33,;-8.88,-47.36,;-8.25,-48.75,;-6.73,-48.58,;-6.42,-47.08,)|
BDBM50338734 C[C@@H]1[C@@H](OC(=O)NCc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(22.89,-7.03,;22.89,-8.57,;24.23,-9.35,;25.56,-8.58,;26.89,-9.35,;26.89,-10.89,;28.23,-8.59,;29.56,-9.36,;30.9,-8.59,;32.22,-9.37,;33.56,-8.61,;33.56,-7.06,;32.22,-6.29,;30.89,-7.06,;24.22,-10.89,;25.76,-10.89,;24.21,-12.43,;22.88,-11.66,;21.55,-10.89,;20.22,-11.66,;18.89,-10.89,;17.55,-11.66,;18.89,-9.35,;20.22,-8.58,;20.21,-7.04,;21.55,-9.34,;17.56,-8.58,;17.56,-7.04,;16.23,-6.27,;14.89,-7.04,;14.9,-8.6,;13.77,-9.63,;12.26,-9.32,;14.41,-11.02,;15.93,-10.85,;16.23,-9.35,)|
BDBM50338735 CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12 |r,wU:7.6,wD:8.8,(8.71,-22.74,;7.37,-23.51,;7.37,-25.05,;6.04,-22.73,;4.7,-23.5,;4.7,-25.04,;3.37,-22.73,;2.04,-23.49,;.7,-22.71,;.7,-21.17,;-.64,-23.49,;-.64,-25.04,;.69,-25.81,;2.03,-25.04,;3.57,-25.04,;2.02,-26.58,;-1.97,-25.81,;-3.3,-25.04,;-4.64,-25.81,;-3.3,-23.5,;-1.97,-22.73,;-1.98,-21.19,;-4.63,-22.73,;-4.63,-21.19,;-5.96,-20.42,;-7.3,-21.19,;-7.29,-22.74,;-8.42,-23.78,;-9.93,-23.47,;-7.78,-25.17,;-6.26,-25,;-5.96,-23.5,)|
BDBM50338736 C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)|
BDBM158513 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:25,t:8|
BDBM50338324 C[C@@H]1[C@@H](O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(14.53,-20.63,;14.54,-22.18,;15.87,-22.97,;17.22,-22.22,;15.85,-24.51,;15.83,-26.05,;17.38,-24.51,;14.5,-25.26,;13.19,-24.48,;11.84,-25.24,;10.52,-24.45,;9.17,-25.2,;10.55,-22.91,;11.88,-22.15,;11.9,-20.61,;13.21,-22.94,;9.22,-22.12,;7.88,-22.87,;6.56,-22.08,;6.58,-20.54,;7.92,-19.79,;8.26,-18.29,;9.79,-18.15,;10.4,-19.56,;9.24,-20.58,)|
BDBM50336929 CC[C@@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
BDBM50336930 CC[C@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
BDBM50336931 CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc12
BDBM50336932 COc1cc(ccc1C#N)-c1cn(C(C)C)c2cc(NS(C)(=O)=O)ccc12
BDBM50336933 CC(C)n1cc(-c2ccc(C#N)c(C)c2)c2ccc(NS(C)(=O)=O)cc12
BDBM50336934 CC(C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
BDBM50336935 CCn1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
BDBM50336936 Cn1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
BDBM50336937 COc1ccc(cc1)C(c1c[nH]c2ccccc12)c1ccccc1
BDBM50334054 C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
BDBM50334055 Cc1cc(c(Cl)c2c1NC(C)(C)C(O)C2(C)C)-c1cccc2cc[nH]c12
BDBM50334058 C[C@@H]1[C@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
BDBM50334048 CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |w:1.0|
BDBM50340660 CCO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(18.93,7.26,;17.6,6.5,;17.59,4.96,;16.25,4.2,;16.24,2.67,;17.57,1.88,;18.91,2.64,;17.56,.34,;18.88,1.12,;18.88,-.43,;16.22,-.42,;14.9,.36,;13.57,-.4,;12.25,.37,;10.91,-.39,;12.25,1.91,;13.58,2.68,;13.58,4.21,;14.91,1.9,;10.93,2.69,;10.93,4.23,;9.59,5.01,;8.26,4.23,;8.25,2.69,;7.1,1.66,;5.77,2.43,;7.73,.25,;9.27,.41,;9.59,1.92,)|
BDBM50340661 CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)|
BDBM50340662 Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OC(C)(C)CO)c2c1F |(21.47,-47.3,;22.8,-48.07,;23.43,-49.48,;24.97,-49.32,;25.29,-47.81,;26.63,-47.04,;26.63,-45.5,;25.29,-44.72,;23.96,-45.5,;23.95,-47.04,;27.95,-47.82,;27.95,-49.35,;26.61,-50.12,;29.27,-50.12,;30.6,-49.37,;31.92,-50.15,;33.26,-49.39,;34.58,-48.61,;34.58,-50.15,;33.28,-47.85,;31.94,-47.06,;31.95,-45.52,;33.29,-44.77,;33.3,-43.23,;31.97,-42.45,;33.29,-41.69,;34.63,-42.47,;35.96,-43.25,;30.61,-47.83,;29.28,-47.05,;29.28,-45.51,)|
BDBM50340663 CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)|
BDBM50340664 CC(C)(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |(33.41,-19.38,;32.08,-20.14,;30.75,-19.36,;32.06,-18.6,;32.07,-21.68,;30.73,-22.44,;30.72,-23.97,;32.06,-24.76,;32.04,-26.3,;33.36,-25.52,;33.36,-27.06,;30.7,-27.06,;29.38,-26.28,;28.05,-27.03,;26.73,-26.26,;25.39,-27.03,;26.73,-24.73,;28.06,-23.96,;28.06,-22.42,;29.39,-24.74,;25.41,-23.95,;25.41,-22.41,;24.07,-21.63,;22.74,-22.41,;22.73,-23.95,;21.58,-24.98,;20.25,-24.21,;22.21,-26.39,;23.75,-26.23,;24.07,-24.72,)|
BDBM50340665 Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OC(C)(C)C)c2c1F |(3.75,-23.11,;5.09,-23.89,;5.72,-25.3,;7.25,-25.14,;7.58,-23.63,;8.91,-22.86,;8.91,-21.31,;7.58,-20.54,;6.25,-21.31,;6.24,-22.85,;10.24,-23.63,;10.23,-25.17,;8.9,-25.94,;11.55,-25.94,;12.88,-25.19,;14.21,-25.96,;15.55,-25.21,;16.87,-24.43,;16.87,-25.97,;15.56,-23.67,;14.23,-22.88,;14.24,-21.34,;15.58,-20.58,;15.58,-19.05,;16.92,-18.29,;14.26,-18.27,;15.57,-17.51,;12.9,-23.64,;11.57,-22.87,;11.57,-21.33,)|
BDBM50353386 C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50348401 CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r|
BDBM50348405 CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r|
BDBM50348407 CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r|
BDBM50348411 CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nncs1 |r|
BDBM50348414 CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r|
BDBM50348415 CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1 |r|
BDBM50359642 Fc1cccc(c1)C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
BDBM50359643 Fc1ccc(cc1)C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
BDBM50359644 O=C1COc2ccc(cc2N1)C1=Nn2ccnc2SC1c1ccccc1 |t:13|
BDBM50359645 O=C1COc2ccc(cc2N1)C1=Nc2ccccc2SC1c1ccccc1 |t:13|
BDBM50359646 Cc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccccc1
BDBM50359647 Cc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1
BDBM50359648 Cc1ccccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359649 Cc1cc(F)ccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359650 Cc1cc(F)ccc1-n1nc(cc1-c1cc(F)c2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359651 Cc1cc(F)ccc1-n1nc(cc1-c1cc(Cl)c2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359652 Cc1cc(cc2NC(=O)COc12)-c1cc(nn1-c1ccc(F)cc1C)C(F)(F)F
BDBM50359654 CCCC1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:11|
BDBM50359655 O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1Cc1ccccc1 |t:13|
BDBM50359656 CC1(Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1)c1ccccc1 |c:9|
BDBM50359657 Cc1nc(c(s1)-c1ccccc1)-c1ccc2OCC(=O)Nc2c1
BDBM50359658 Cc1nc(c([nH]1)-c1ccc2OCC(=O)Nc2c1)-c1ccccc1
BDBM50359659 CCc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1
BDBM50359660 Fc1ccc(cc1)-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359661 Fc1ccc(cc1)-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)C(F)(F)F
BDBM50359662 CC(C)c1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1
BDBM50359663 Fc1ccc(cc1)-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C#N
BDBM50359664 OCc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1
BDBM50359665 Fc1ccc(cc1)-n1ncc(c1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359666 Fc1ccccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359667 Fc1cccc(c1)-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359668 FC(F)(F)c1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccccc1Cl
BDBM50359669 FC(F)(F)c1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(Cl)cc1
BDBM50359670 Cc1ccc(cc1)-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359671 CCc1ccccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359653 O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1 |t:13|
BDBM50359640 O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1c1ccccc1 |t:13|
BDBM50359641 Fc1ccccc1C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
BDBM50356036 COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F |r|
BDBM50356037 COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F |r|
BDBM50356038 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(F)c2[nH]1)C(F)(F)F
BDBM50356039 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C)c2[nH]1)C(F)(F)F
BDBM50356040 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(c2[nH]1)C(F)(F)F)C(F)(F)F
BDBM50356041 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C#N)c2[nH]1)C(F)(F)F
BDBM50356042 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cccc2[nH]1)C(F)(F)F
BDBM50356043 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(cccc2[nH]1)C(F)(F)F)C(F)(F)F
BDBM50356044 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(cccc2[nH]1)C#N)C(F)(F)F
BDBM50356045 CCc1cccc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc12
BDBM50356046 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(F)ccc2[nH]1)C(F)(F)F
BDBM50356047 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)ccc2[nH]1)C(F)(F)F
BDBM50356048 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ccc2[nH]1)C(F)(F)F)C(F)(F)F
BDBM50356049 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F
BDBM50356050 COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F |r|
BDBM50356051 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(F)cc2[nH]1)C(F)(F)F
BDBM50356052 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F
BDBM50356053 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(cc2[nH]1)C(F)(F)F)C(F)(F)F
BDBM50356054 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F
BDBM50356055 CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2CCOc12
BDBM50356056 CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
BDBM50356057 Cc1cc2CCOc2c(c1)C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F
BDBM50356058 CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(Br)cc2CCOc12
BDBM50356059 CC(C)(CC(O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
BDBM50356060 CC(C)(C[C@@](O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O |r|
BDBM50356061 CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)C#N
BDBM50356062 CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
BDBM50356063 CC(C)(CC(O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
BDBM50356064 CC(C)(C[C@](O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O |r|
BDBM50355730 CCN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
BDBM50355735 CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
BDBM50355740 CN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
BDBM50375827 Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N
BDBM50375423 COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
BDBM50366558 CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
BDBM50376852 COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
BDBM50377338 CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(F)c(F)c2cc[nH]c12 |w:1.0|
BDBM50377349 COc1ccc2cc[nH]c2c1-c1cc(C)c2NC(C)(C)CC(C)c2c1Cl |w:21.23,(12.35,-42.62,;12.35,-44.16,;11.02,-44.93,;9.69,-44.17,;8.36,-44.94,;8.37,-46.49,;7.24,-47.52,;7.87,-48.91,;9.39,-48.74,;9.7,-47.25,;11.03,-46.48,;12.36,-47.25,;12.36,-48.8,;13.69,-49.57,;13.69,-51.11,;15.02,-48.8,;16.36,-49.58,;17.71,-48.8,;18.1,-50.28,;19.19,-48.4,;17.71,-47.25,;16.37,-46.46,;16.37,-44.92,;15.03,-47.24,;13.68,-46.48,;13.68,-44.94,)|
BDBM50377350 CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1ccc(F)c2cc[nH]c12 |w:1.0|
BDBM50367916 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9|
BDBM50398058 Cc1ccccc1CCc1ccnc(NC(N)=O)c1
BDBM50398059 Cc1c(cn(CCO)c1-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O |(34.95,-31.12,;34.48,-32.58,;33,-33.06,;33.01,-34.59,;34.47,-35.07,;34.85,-36.57,;33.75,-37.64,;34.13,-39.14,;35.38,-33.82,;36.92,-33.83,;37.69,-32.5,;39.22,-32.5,;40,-33.83,;39.22,-35.17,;37.68,-35.17,;36.92,-36.49,;35.38,-36.49,;37.68,-37.83,;36.13,-37.83,;31.76,-32.15,;31.76,-30.61,;30.43,-32.92,;29.09,-32.16,;27.76,-32.93,;26.42,-32.16,;26.42,-30.61,;27.75,-29.84,;29.08,-30.6,;25.09,-29.84,;25.08,-28.3,;24.31,-31.17,;23.55,-29.84,)|
BDBM50398061 C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r|
BDBM50398062 CC1(C)OC(=S)Nc2ccc(NS(=O)(=O)c3cccs3)cc12
BDBM50398063 CCOC(=O)C1=C(C)N=C(C)C([C@H]1c1cccc2c1oc(C)cc2=O)C(C)=O |r,c:5,t:8|
BDBM50398064 CCOc1ncc(C)c2N=C(C)C([C@@H](c3ccc(cc3OC)C#N)c12)C(N)=O |r,t:9|
BDBM50398065 Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1 |r|
BDBM50407855 CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10|
BDBM50407856 C[C@@H](O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C(=O)[CH-][N+]#N |r,t:10|
BDBM50403727 CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
BDBM50403728 CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
BDBM50403729 CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
BDBM50410187 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
BDBM50410188 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
BDBM50417030 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(C(F)(F)F)C(F)(F)F |r|
BDBM50415790 Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(C)nc(C)c3c2Cl)cc1
BDBM50415792 COc1cccc(c1)-c1ccccc1CNC(=O)c1cnc2n(C)nc(C)c2c1Cl
BDBM50415794 CCn1ncc2c(Cl)c(cnc12)C(=O)NCc1ccc(C)cc1C
BDBM50415796 CCc1nn(C)c2ncc(C(=O)NCC3Cc4ccccc4C3)c(Cl)c12
BDBM50417605 Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1ccccc1
BDBM50417616 COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)C#N |r|
BDBM50416867 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
BDBM50416868 CC(C)(CC(O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O
BDBM50416869 Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
BDBM50416870 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
BDBM50416871 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ccccc12)C(F)(F)F
BDBM50416872 CC(C)(CC(O)(CNc1cccc2ccccc12)C(F)(F)F)c1cc(F)ccc1O
BDBM50416873 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(C)ccc12)C(F)(F)F
BDBM50417023 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
BDBM50412519 CCN(C[C@](O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r|
BDBM50422147 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)[CH-][N+]#N |t:8|
BDBM50442531 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |r,t:10|
BDBM50442532 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)NS(=O)(=O)c1ccccc1[N+]([O-])=O |r,t:10|
BDBM50442533 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)N=[N+]=[N-] |r,t:10|
BDBM50442534 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)NC[C@@H](N)C(O)=O |r,t:10|
BDBM50444388 CCC(Cc1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444389 CCC(Cc1ccccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444390 CC[C@@H](Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
BDBM50444391 CC[C@@H](Cc1ccc(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
BDBM50444392 CC[C@@H](Cc1ccc(O)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
BDBM50444393 CC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
BDBM50444394 CCC(Cc1ccc(O)c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444395 CCC(Cc1cc(C)c(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444396 CCC(Cc1cc(C)c(OC)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444397 CCC(Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444398 CCC(Cc1ccc(OC)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444399 CCC(Cc1ccc2ccccc2c1)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444400 CCC(Cc1cccc2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444401 CCC(Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444402 CCC(Cc1cc(F)cc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444403 CCC(Cc1cc(C)cc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444404 CCC(Cc1cc(C)ccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444405 CCC(Cc1ccc(C)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444406 CCC(Cc1c(C)cccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444407 CCC(Cc1cccc(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50444184 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CSc1ccccc1)C(F)(F)F
BDBM50444185 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(C)cccc12)C(F)(F)F
BDBM50444186 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cccc(C)c12)C(F)(F)F
BDBM50444187 CC[C@@H](Cn1ccc2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
BDBM50444188 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1cc(C#N)c2ccccc12)C(F)(F)F
BDBM50444189 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ncccc12)C(F)(F)F
BDBM50444190 Cc1ccc2c(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c[nH]c2c1
BDBM50444191 CC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
BDBM50444192 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
BDBM50444193 FC(F)(F)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
BDBM50444194 Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
BDBM50444195 CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
BDBM50444196 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cc(ccc12)C#N)C(F)(F)F
BDBM50444197 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2ccc(cc12)C#N)C(F)(F)F
BDBM50444198 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cccc(C#N)c12)C(F)(F)F
BDBM50444199 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(COc1ccccc1)C(F)(F)F
BDBM50444200 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CNc1ccccc1)C(F)(F)F
BDBM50444201 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2c(cccc12)C#N)C(F)(F)F
BDBM50444202 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F
BDBM50444203 Cc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1
BDBM50444204 CC[C@@H](Cn1cc(C)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
BDBM50444205 CC[C@@H](Cn1cc(C#N)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
BDBM50444206 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cc(C)cc12)C#N)C(F)(F)F
BDBM50444207 Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cccc12)C#N)C(F)(F)F
BDBM50444408 CCC(Cc1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
BDBM50443327 Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1F
BDBM50443328 Cc1nccn1-c1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1
BDBM50443329 Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
BDBM50443330 COc1ccc(cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1)C#N
BDBM50443331 Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cccc(c1)C#N
BDBM50443332 Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-n1ccnc1C
BDBM50443333 Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1
BDBM50443334 Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cccc(c1)C(N)=O
BDBM50443335 Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cncc(c1)C#N
BDBM50443336 Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2F)cc1
BDBM50443337 Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cccnc1
BDBM50443338 Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1
BDBM50443339 Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2C)cc1
BDBM50443340 Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
BDBM50443341 Cc1noc(C)c1S(=O)(=O)NCc1ccc(s1)-c1ccccc1
BDBM50443342 Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1
BDBM50448165 [#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1
BDBM50448166 C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
BDBM50448167 CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
BDBM50448168 CC\C(c1cccc(NS(C)(=O)=O)c1)=C1/c2ccccc2OCc2cccc(OC)c12
BDBM50437610 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@H]2C[C@@H](C2)c2ccccc2)C1=O)c1ccccc1 |r,wU:6.14,1.0,19.22,wD:6.6,17.17,(48.57,-12.23,;49.2,-10.83,;48.3,-9.58,;48.79,-8.11,;50.26,-7.64,;47.54,-7.2,;46.3,-8.12,;45.52,-6.77,;46.28,-5.44,;47.83,-5.44,;48.6,-4.1,;47.82,-2.77,;46.27,-2.78,;45.52,-4.12,;44.76,-8.17,;43.95,-6.86,;44.04,-9.53,;42.5,-9.58,;41.38,-8.53,;40.33,-9.66,;41.46,-10.71,;38.8,-9.71,;37.98,-8.4,;36.44,-8.45,;35.72,-9.81,;36.54,-11.12,;38.08,-11.06,;46.79,-9.58,;45.89,-10.83,;50.74,-10.85,;51.49,-12.2,;53.03,-12.22,;53.82,-10.89,;53.06,-9.55,;51.52,-9.53,)|
BDBM50437611 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@H]2C[C@H](C2)c2ccccc2)C1=O)c1ccccc1 |r,wU:6.14,1.0,17.17,19.22,wD:6.6,(53.09,-16.89,;53.72,-15.48,;52.82,-14.23,;53.31,-12.76,;54.78,-12.29,;52.06,-11.85,;50.82,-12.77,;50.04,-11.43,;50.8,-10.09,;52.35,-10.09,;53.11,-8.76,;52.34,-7.42,;50.79,-7.44,;50.03,-8.77,;49.28,-12.82,;48.46,-11.52,;48.55,-14.18,;47.01,-14.23,;45.97,-15.36,;44.85,-14.31,;45.9,-13.19,;43.31,-14.36,;42.5,-13.05,;40.96,-13.11,;40.23,-14.47,;41.06,-15.78,;42.59,-15.72,;51.3,-14.24,;50.4,-15.49,;55.26,-15.5,;56.01,-16.85,;57.55,-16.87,;58.34,-15.55,;57.57,-14.2,;56.04,-14.19,)|
BDBM50437612 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CC2)C1=O)c1ccccc1 |r|
BDBM50437613 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1=O)c1ccccc1 |r|
BDBM50437614 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCCCC2)C1=O)c1ccccc1 |r|
BDBM50437615 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(cc2)C#N)C1=O)c1ccccc1 |r|
BDBM50437616 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2cccc(F)c2)C1=O)c1ccccc1 |r|
BDBM50437617 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(F)cc2)C1=O)c1ccccc1 |r|
BDBM50437618 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |r|
BDBM50437619 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1 |r|
BDBM50437620 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 |r|
BDBM50437621 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccccc2)C1=O)c1ccc(F)cc1 |r|
BDBM50437622 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc3ccccc3c2)C1=O)c1ccccc1 |r|
BDBM50437623 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(c2)S(C)(=O)=O)C1=O)c1ccccc1 |r|
BDBM50437624 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(cc2)S(C)(=O)=O)C1=O)c1ccccc1 |r|
BDBM50437625 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r|
BDBM50437626 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1 |r|
BDBM50437627 C[C@H](NC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O)c1cccc(Cl)c1 |r|
BDBM50437628 C[C@@H](NC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O)c1cccc(Cl)c1 |r|
BDBM50437629 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(Cl)c2)C1=O)c1ccccc1 |r|
BDBM50437630 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(Cl)cc2)C1=O)c1ccccc1 |r|
BDBM50437631 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437632 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437633 COc1ccccc1CNC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
BDBM50437634 COc1ccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc1 |r|
BDBM50437635 COc1cccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)c1 |r|
BDBM50437636 COc1cccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(Cc3ccccc3)C2=O)c1 |r|
BDBM50437637 O=C(NCc1ccccc1)[C@]1(Cc2ccccc2)OC(=O)N(Cc2ccccc2)C1=O |r|
BDBM50437638 O=C(NCc1ccccc1)[C@@]1(Cc2ccccc2)OC(=O)N(Cc2ccccc2)C1=O |r|
BDBM50437564 C[C@@H](N1C(=O)O[C@](Cc2ccc(F)cc2)(C(=O)NCc2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1 |r|
BDBM50437565 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc34)C2=O)cc(OC)c1 |r|
BDBM50437566 C[C@@H](N1C(=O)N[C@](Cc2ccccc2)(C(=O)N2CCc3ccccc3C2)C1=O)c1ccccc1 |r|
BDBM50437567 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N2CCc3ccccc3C2)C1=O)c1ccccc1 |r|
BDBM50437568 COc1cc(CNC(=O)C2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)O2)cc(OC)c1
BDBM50437569 COc1cc(CNC(=O)C2(Cc3ccccc3)CCN([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437570 COc1cc(CNC(=O)C2(Cc3ccccc3)CC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437571 COc1cc(CNC(=O)C2(Cc3ccccc3)CCN(Cc3ccccc3)C2)cc(OC)c1
BDBM50437572 COc1cc(CNC(=O)C2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)N2)cc(OC)c1
BDBM50437573 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)N(C)C(=O)N(Cc3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437574 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437575 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCN(CC3)C(=O)C(F)(F)F)C2=O)cc(OC)c1 |r|
BDBM50437576 CC[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cc(OC)cc(OC)c2)C1=O)c1ccccc1 |r|
BDBM50437577 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCCc4ccccc34)C2=O)cc(OC)c1 |r|
BDBM50437578 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)C3CCCCC3)C2=O)cc(OC)c1 |r|
BDBM50437579 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(Cl)cc3)C2=O)cc(OC)c1 |r|
BDBM50437580 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(F)cc3)C2=O)cc(OC)c1 |r|
BDBM50437581 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437582 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C(C)C)C2=O)cc(OC)c1 |r|
BDBM50437583 COc1cc(CNC(=O)[C@@]2(Cc3cccc4nonc34)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437584 COc1cc(CNC(=O)[C@@]2(Cc3ccc4nonc4c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437585 COc1cc(CNC(=O)[C@@]2(Cc3ccc4ccccc4c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437586 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3Cl)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437587 COc1cc(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437588 COc1cc(CNC(=O)[C@@]2(Cc3ccc(Cl)cc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437589 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3F)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437590 COc1cc(CNC(=O)[C@@]2(Cc3cccc(F)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437591 COc1cc(CNC(=O)[C@@]2(Cc3ccc(F)cc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437592 COc1cc(CNC(=O)[C@@]2(Cc3ccccn3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437593 COc1cc(CNC(=O)[C@@]2(Cc3ccncc3)OC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1 |r|
BDBM50437594 COc1cc(CNC(=O)c2oc(=O)n(Cc3ccccc3)c2O)cc(OC)c1
BDBM50437595 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCCc2cn[nH]c2)C1=O)c1ccccc1 |r|
BDBM50437596 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCCc2nnc[nH]2)C1=O)c1ccccc1 |r|
BDBM50437597 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCCc2ccccn2)C1=O)c1ccccc1 |r|
BDBM50437598 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCCc2ccncc2)C1=O)c1ccccc1 |r|
BDBM50437599 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc3ccnn23)C1=O)c1ccccc1 |r|
BDBM50437600 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc3cnccc23)C1=O)c1ccccc1 |r|
BDBM50437601 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc3cnccc3c2)C1=O)c1ccccc1 |r|
BDBM50437602 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc3ccccc3n2)C1=O)c1ccccc1 |r|
BDBM50437603 O=C(NCc1nccs1)[C@@]1(Cc2ccccc2)OC(=O)N(Cc2ccccc2)C1=O |r|
BDBM50437604 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccccn2)C1=O)c1ccccc1 |r|
BDBM50437605 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccnc2)C1=O)c1ccccc1 |r|
BDBM50437606 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccncc2)C1=O)c1ccccc1 |r|
BDBM50437607 CCn1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cn1 |r|
BDBM50437608 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cc(C)no2)C1=O)c1ccccc1 |r|
BDBM50437609 C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1=O)c1ccccc1 |r|
BDBM50449055 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nnccc2[nH]1)C(F)(F)F
BDBM50449056 Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F |r|
BDBM50449057 Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2nnccc2[nH]1)C(F)(F)F |r|
BDBM50449058 CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O
BDBM50449059 CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O
BDBM50449060 CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2CCOc12
BDBM50449061 CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
BDBM50449062 Cc1ccccc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
BDBM50449063 CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O
BDBM50449064 CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O
BDBM50449065 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
BDBM50449066 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCS(=O)(=O)CC1)C(F)(F)F
BDBM50449067 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
BDBM50449068 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCCC1)C(F)(F)F
BDBM50449069 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1cccnc1)C(F)(F)F
BDBM50449070 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
BDBM50449071 CC(C)c1ncc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)cc2n1
BDBM50449072 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(cnc2[nH]1)-c1ccccc1)C(F)(F)F
BDBM50449073 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nccnc2[nH]1)C(F)(F)F
BDBM50449074 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cncnc2[nH]1)C(F)(F)F
BDBM50449075 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
BDBM50449076 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(nnc2[nH]1)-c1ccccc1)C(F)(F)F
BDBM50449077 Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnncc2[nH]1)C(F)(F)F
BDBM50440096 CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
BDBM50440097 CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
BDBM50440098 CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
BDBM50440242 CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
BDBM50440243 CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
BDBM50439606 Fc1ccc(cc1)C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:8|
BDBM50439607 CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439608 CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439609 CC1NC(=O)C(=C1c1cc(F)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439610 CC1NC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439611 CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:8|
BDBM50439612 CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|
BDBM50439613 CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5|
BDBM50439614 CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
BDBM50439615 CCC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
BDBM50439616 CC1(F)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
BDBM50439617 CC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439618 CC1(C)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
BDBM50439619 Cc1cc(F)ccc1C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:9|
BDBM50439620 Fc1ccc(C2=C(COC2=O)c2ccc3OCC(=O)Nc3c2)c(F)c1 |t:5|
BDBM50014432 C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
BDBM50014433 C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r|
BDBM50009634 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)-c1ccncc1)c1ccccc1 |r|
BDBM50009636 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(CC2CC2)o1)c1ccccc1 |r|
BDBM50013413 COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
BDBM50013415 COc1nc(ccc1C(O)=O)C1=NN([C@@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
BDBM50013417 COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
BDBM50013419 CCOc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
BDBM50013421 COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C(C)C)c1ccc(C#N)c(C)n1 |r,t:12|
BDBM50013424 COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:14|
BDBM50013425 COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
BDBM50013427 COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:14|
BDBM50013429 COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:16|
BDBM50013430 COc1nc(ccc1C(=O)Nc1nnn[nH]1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:18|
BDBM50013422 COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
BDBM50013423 CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
BDBM50013426 CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:13|
BDBM50013428 COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:16|
BDBM50009583 COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
BDBM50009585 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc(co1)-c1ccccc1)c1ccccc1 |r|
BDBM50009587 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1ncc(Cc2ccccc2)o1)c1ccccc1 |r|
BDBM50009589 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1ncc(Cc2ccccc2)[nH]1)c1ccccc1 |r|
BDBM50009626 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc([nH]1)-c1ccccc1)c1ccccc1 |r|
BDBM50009628 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc([nH]1)-c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
BDBM50009630 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)-c1ccccc1)c1ccccc1 |r|
BDBM50009632 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)-c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
BDBM50009633 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)-c1cc(F)cc(F)c1)c1ccccc1 |r|
BDBM50013412 COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
BDBM50013414 CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
BDBM50013416 COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
BDBM50013418 Cc1nc(ccc1C#N)N1N=C(C[C@@H]1C1CCCC1)c1ccc(cc1)C(O)=O |r,c:11|
BDBM50013420 COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|
BDBM158514 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:10,13,25|
BDBM50041814 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O
BDBM50041815 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1C(N)=O
BDBM50041816 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(C)(=O)=O
BDBM50041817 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(N)(=O)=O
BDBM50041819 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(Cl)cc1C(N)=O
BDBM50041820 Cc1ccc(c(c1)C(N)=O)C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
BDBM50041821 CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1
BDBM50041890 CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
BDBM50041891 CC(C)S(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
BDBM50041892 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1cccc2CCS(=O)(=O)c12
BDBM50041911 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1
BDBM50041954 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(F)c1
BDBM50041955 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccc(F)cc1
BDBM50041957 COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
BDBM50041971 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(O)c1
BDBM50048339 CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
BDBM50041973 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O
BDBM50041974 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(N)(=O)=O
BDBM50041975 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)C(N)=O
BDBM50041976 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O
BDBM50024804 CCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024805 CCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024807 Cc1nn(c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1)-c1ccccc1
BDBM50024809 Cc1nn(CCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024827 Cc1nn(CCCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024828 Cc1nn(Cc2ccccn2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024846 Cc1nn(Cc2ccncc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024847 CCCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM158515 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:23,t:3|
BDBM158516 CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:24,t:4|
BDBM158517 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:10,27|
BDBM158518 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OCC=C1 |r,c:28,t:8|
BDBM158519 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:26,t:9|
BDBM158520 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,14,26|
BDBM158521 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,27|
BDBM158522 CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:25,t:4|
BDBM158525 CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:28,t:11|
BDBM50024848 CC(C)Cn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024849 Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024853 Cc1nn(CCNS(C)(=O)=O)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024855 Cc1nn(CCC#N)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024856 Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024857 Cc1nn(CC(F)(F)CCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024859 Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024798 Cc1[nH]nc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024799 Cc1onc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024800 Cn1ncc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024802 Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1F |(36.03,-29.04,;37.44,-28.41,;38.77,-29.18,;39.91,-28.15,;41.42,-28.47,;39.28,-26.74,;37.76,-26.9,;36.72,-25.76,;37.2,-24.3,;36.17,-23.15,;34.67,-23.47,;33.64,-22.32,;32.13,-22.65,;31.65,-24.11,;30.15,-24.43,;32.68,-25.25,;34.19,-24.94,;35.22,-26.08,;40.05,-25.41,;39.28,-24.07,;40.05,-22.74,;41.59,-22.74,;42.36,-21.41,;42.36,-24.07,;41.59,-25.41,;42.36,-26.74,)|
BDBM50024803 Cc1nn(C)c(c1-c1cc(C)c2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024806 Cc1nn(Cc2ccccc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024833 Cc1nn(Cc2cccnc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024852 CC(=O)NCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50048340 CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
BDBM50041818 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(F)cc1C(N)=O
BDBM50041972 CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1C(N)=O
BDBM50041977 CNC(=O)c1ccccc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
BDBM50024860 Cc1nn(CCC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024801 Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50110732 COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;6.54,-3.95,;5,-3.96,;4.22,-2.63,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)|
BDBM50110734 COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
BDBM50110735 CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1
BDBM50110736 COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
BDBM50110737 COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.03,-2.79,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)|
BDBM50110738 COc1ccc(F)cc1-c1c[nH]c2c(NC(C)=O)cccc12
BDBM50110739 COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1
BDBM50110750 CS(=O)(=O)Nc1cccc2cc[nH]c12
BDBM50110789 CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1ccc(F)cc1
BDBM50145860 Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl |r|
BDBM50145863 Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl |r|
BDBM50110733 COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)|
BDBM50110743 COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1 |(-3.72,2.76,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;.3,-.77,;1.76,-1.24,;2.66,.02,;3.89,.03,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.55,4.52,;3.38,5.55,;1.86,5.34,;1.29,3.91,;-.24,3.69,;-1,4.66,;.3,.77,;-1.03,1.55,)|
BDBM50110751 COc1ccc(F)cc1-c1c([nH]c2c(NS(C)(=O)=O)cccc12)-c1ccccc1 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;4.33,4.34,;5.55,4.52,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,)|
BDBM50145861 Cc1c(N[C@@H]2CCCC[C@@]2(C)O)ccc(C#N)c1Cl |r|
BDBM50145862 Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl |r|
BDBM50089587 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cncnc1)c1ccc(F)cc1 |r|
BDBM50089589 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cccnc1)c1ccc(F)cc1 |r|
BDBM50089591 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1 |r|
BDBM50089593 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089595 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NC(C)=O)cccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089596 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)C(F)(F)F)c1ccc(F)cc1 |r|
BDBM50089597 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(Cl)cccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089598 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(F)cccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089599 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cncnc1)c1ccc(F)cc1 |r|
BDBM50089600 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1Cl)c1ccc(F)cc1 |r|
BDBM50089601 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1ccncc1)c1ccc(F)cc1 |r|
BDBM50089602 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1ccccn1)c1ccc(F)cc1 |r|
BDBM50089603 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1 |r|
BDBM50089604 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1 |r|
BDBM50089605 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1 |r|
BDBM50089606 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cnoc1)c1ccc(F)cc1 |r|
BDBM50089607 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1 |r|
BDBM50089608 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cnn(C)c1)c1ccc(F)cc1 |r|
BDBM50089609 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cn[nH]c1)c1ccc(F)cc1 |r|
BDBM50089628 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C#N)c1ccc(F)cc1 |r|
BDBM50089630 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NC(C)=O)ccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089632 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(OC(F)(F)F)ccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089634 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(F)ccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089635 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2ccccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089636 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50091031 CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nncn12
BDBM50091034 CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cncc2nccn12
BDBM50091040 CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nccn12
BDBM50091044 Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2OCOc12 |(2.56,-4.56,;3.49,-3.74,;5.01,-4.07,;5.79,-2.72,;4.75,-1.57,;5,-.35,;3.35,-2.21,;2.02,-1.41,;.67,-2.13,;-.68,-1.41,;-.68,.15,;-2.02,.93,;-3.38,.15,;-4.45,-.49,;-3.35,1.39,;-3.38,-1.41,;-4.45,-2.05,;-2.02,-2.13,;-.92,-2.72,;-3.1,-2.73,;.67,.93,;.99,2.45,;2.55,2.62,;3.19,1.2,;2.02,.15,)|
BDBM50091046 Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.54,-4.54,;3.47,-3.72,;4.98,-4.05,;5.76,-2.71,;4.73,-1.56,;4.98,-.35,;3.33,-2.19,;2.01,-1.4,;.66,-2.12,;-.68,-1.4,;-.68,.15,;-2.01,.93,;-3.37,.15,;-4.42,-.49,;-3.33,1.39,;-3.37,-1.4,;-4.43,-2.04,;-2.01,-2.12,;-.91,-2.7,;-3.09,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.18,1.19,;2.01,.15,)|
BDBM50091048 Cc1noc(C)c1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1
BDBM50090462 CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
BDBM50110731 COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-4.78,.91,;-3.72,2.76,;-4.79,2.14,)|
BDBM50091047 Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)cc1Cl |(-3.24,3.89,;-4.16,3.07,;-5.67,3.39,;-6.44,2.05,;-5.41,.91,;-5.66,-.3,;-4.02,1.55,;-2.69,.77,;-1.33,1.54,;,.77,;,-.77,;1.33,-1.54,;2.67,-.77,;3.72,-.13,;2.64,-2,;2.67,.77,;3.74,1.39,;1.33,1.54,;.25,2.13,;2.42,2.13,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)|
BDBM50091049 CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
BDBM50110730 COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)|
BDBM50089588 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1ccncc1)c1ccc(F)cc1 |r|
BDBM50089590 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cnn(C)c1)c1ccc(F)cc1 |r|
BDBM50089592 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cnoc1)c1ccc(F)cc1 |r|
BDBM50089615 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-n1cnnn1)c1ccc(F)cc1 |r|
BDBM50089629 CNC(=O)c1ccc2[nH]c(nc2c1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccc(F)cc2)C1=O |r|
BDBM50089631 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089633 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1 |r|
BDBM238167 CNC(=O)CC1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
BDBM238163 CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
BDBM238152 CNC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
BDBM238155 NC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
BDBM238151 NC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
BDBM238158 CNC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
BDBM238159 CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
BDBM238161 NC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
BDBM238162 NC(=O)C[C@@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
BDBM238166 NC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
BDBM50177015 CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
BDBM50203417 C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50203420 CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NS(=O)(=O)C1CC1 |r|
BDBM50203422 COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r|