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2250 SMILES Strings for Beta-lactamase

Compound NameSMILES String
BDBM1944 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
BDBM1858 [H][C@]12CN([C@@H](CC1)C(=O)NC1CCNCC1)C(=O)N2OS(O)(=O)=O |r|
BDBM1790 [H][C@]12CN([C@H](CC1)C(=O)NC1CCCNC1)C(=O)N2OS(O)(=O)=O |r|
BDBM2581 O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
BDBM152733 [O-]C(=O)C1=CSC2N1C(=O)\C2=C\c1cc2CCSCn2n1 |t:3|
BDBM152732 [O-]C(=O)C1=CSC2N1C(=O)\C2=C\c1cc2CSCn2n1 |t:3|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM23223 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
BDBM23446 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
BDBM21642 C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
BDBM25817 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
BDBM25469 [O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
BDBM26996 OB(O)c1ccccc1
BDBM26113 OC(=O)c1ccnc(c1)C(O)=O
BDBM26114 OC(=O)c1ccc(nc1)C(O)=O
BDBM26115 OC(=O)c1cccnc1C(O)=O
BDBM26117 OC(=O)c1ccncc1C(O)=O
BDBM26124 OB(O)c1cccc(c1)C(F)(F)F
BDBM26128 OB(O)c1ccc(F)cc1
BDBM26129 OB(O)c1ccc(cc1)C(F)(F)F
BDBM26133 COc1ccc(cc1)B(O)O
BDBM26139 OB(O)c1cc2ccccc2s1
BDBM26140 OB(O)c1cc2ccccc2o1
BDBM29681 OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
BDBM29507 C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O |r,c:10|
BDBM29532 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
BDBM31768 CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM31770 Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
BDBM31772 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
BDBM31773 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
BDBM31774 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
BDBM31061 Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
BDBM31063 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
BDBM31074 COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
BDBM31372 [O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10|
BDBM33080 CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33081 CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33119 CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
BDBM33120 CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
BDBM33098 OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM32910 COc1cc2OCOc2cc1\C=C\[N+]([O-])=O
BDBM33108 CC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
BDBM33180 Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1
BDBM34188 CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
BDBM34180 COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
BDBM34183 CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
BDBM33355 Clc1cnn(-c2ccccc2)c(=O)c1Cl
BDBM33359 Cc1cccc(c1)-n1ncc(Cl)c(Cl)c1=O
BDBM32006 Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
BDBM32050 O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
BDBM36442 O=C1N(CCc2nn[n-]n2)C(=O)c2ccccc12
BDBM36447 O=c1n(Cc2nn[n-]n2)cnc2sc3CCCCc3c12
BDBM36448 Fc1cccc(c1)C(=O)Nc1cccc(c1)-c1nn[n-]n1
BDBM36633 c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM36634 Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM36635 C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1cnc2ccccc12
BDBM36636 Cc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM36637 C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1cnc2cccnc12
BDBM36638 CCCc1nc2ccc(Cl)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM36639 CC(C)c1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM36640 CCCCc1nc2ccc(O)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM36641 C(Oc1ccc2c3CCC=Cc3[nH]c2c1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |c:9|
BDBM36642 Oc1ccc2c3CCC=Cc3n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 |c:8|
BDBM36643 C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1c2C=CCCc2c2ccccc12 |c:23|
BDBM36644 CCCCc1nc2CCSc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM36645 CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM36437 CCc1c(C)[nH]n(-c2nn[n-]n2)c1=O
BDBM36438 O=C1CCCC(Nc2nn[n-]n2)=C1 |c:12|
BDBM36439 [O-]C(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
BDBM36440 C[C@H](N1C(=O)C2C3CCC(C3)C2C1=O)C([O-])=O
BDBM36441 [O-]C(=O)CN1C(=O)O[C@H](C1=O)c1ccccc1
BDBM34751 COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(10.68,5.5,;9.35,4.73,;9.35,3.19,;10.68,2.42,;10.68,.88,;12.01,.11,;13.35,.88,;9.35,.11,;8.01,.88,;8.01,2.42,;6.68,3.19,;6.68,4.73,;9.35,-1.43,;10.68,-2.2,;12.06,-1.38,;13.45,-2.17,;14.78,-1.39,;13.45,-3.77,;14.78,-4.55,;12.06,-4.56,;10.68,-3.74,;9.35,-4.51,;8.01,-3.74,;6.63,-4.56,;5.24,-3.77,;3.91,-4.55,;5.24,-2.17,;3.91,-1.39,;6.63,-1.38,;8.01,-2.2,)|
BDBM34417 Cc1cccc(OCC(=O)Nc2cccc(c2)-c2nnc(o2)-c2ccccc2)c1C
BDBM34800 CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccc(C)cc1 |w:9.10,c:1,5|
BDBM34686 [#6]-[#6]1=[#6]-[#6](=O)-[#6]=[#6](-[#6])\[#6]-1=[#7]\[#8]S(=O)(=O)c1ccccc1 |t:1,5|
BDBM34692 Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
BDBM34608 O=C1CCn2cnc3cccc4ccc1c2c34
BDBM35500 CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|
BDBM37601 CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
BDBM37863 Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)c1cccs1
BDBM36894 O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc12
BDBM38499 S=c1[nH]nc(-c2ccccc2)n1C1CCCC=C1 |c:18|
BDBM37510 Cc1ccc2nc(cc(O)c2c1)-c1ccccc1
BDBM37678 O=S(=O)(Nc1cccc2ncccc12)c1cccs1
BDBM37250 Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1
BDBM37012 CN1\C(=C\C(=O)c2nc(ncc2Cl)S(C)(=O)=O)C(C)(C)c2ccccc12
BDBM41501 Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
BDBM41046 COc1ccc(cc1OC)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1
BDBM41051 Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
BDBM40973 OP(O)(=O)c1ccccc1OCCCCCOc1ccccc1P(O)(O)=O
BDBM41590 COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O
BDBM41593 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1 |w:11.11|
BDBM41594 COc1ccc(CS(=O)(=O)C(\Cl)=C(\Cl)C(=O)Nc2ccc(OC)nc2)cc1
BDBM41383 CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl
BDBM41384 CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C
BDBM41585 CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
BDBM41474 COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
BDBM41218 Clc1ccc(cc1)C(=O)CSc1nc(ccc1C#N)-c1ccco1
BDBM39844 OB(O)c1cccc(NC(=O)c2ccc(cc2)C#N)c1
BDBM39845 OB(O)c1cccc(NC(=O)Cc2cccs2)c1
BDBM39855 Nc1cccc(c1)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM40948 OP(O)(=O)C(=C)c1cccc2ccccc12
BDBM39794 CN(C)c1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1
BDBM39826 Cn1ncc(c1Cl)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39831 OB(O)c1cccc(NC(=O)c2ccc(o2)N(=O)=O)c1
BDBM39832 CN(C)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39833 OB(O)c1cccc(NC(=O)CCl)c1
BDBM39834 OB(O)c1cccc(NC(=O)OCc2ccccc2)c1
BDBM39835 OB(O)c1cccc(NC(=O)c2cccc(c2)C#N)c1
BDBM39842 COc1ccc(cc1)C(=O)Nc1cccc(c1)B(O)O
BDBM40022 Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
BDBM39814 OB(O)CNC(=O)CSc1ccncc1
BDBM39815 CC(C)(C)OC(=O)C(C)(C)O\N=C(\C(=O)NCB(O)O)c1csc(S)n1
BDBM39816 CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O
BDBM39817 OB(O)O
BDBM39818 CB(O)O
BDBM39819 Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39820 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)c1
BDBM39821 CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39822 OB(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
BDBM39823 OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM39824 OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2N(=O)=O)c1
BDBM39825 OB(O)c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1
BDBM39880 CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
BDBM39827 OB(O)c1cccc(NS(=O)(=O)c2cccc3NSNc23)c1
BDBM39828 OB(O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM39829 OB(O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1
BDBM39830 OB(O)c1cccc(NC(=O)c2cc3ccccc3s2)c1
BDBM39836 OB(O)c1cccc(NC(=O)c2ccc(cc2)N(=O)=O)c1
BDBM39837 OB(O)c1cccc(NC(=O)c2cccc(c2)N(=O)=O)c1
BDBM39838 OB(O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
BDBM39839 OB(O)c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
BDBM39840 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2ccon2)c1
BDBM39841 CC(=O)c1sccc1S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39843 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2cc(n(n2)C(F)(F)F)C(F)(F)F)c1
BDBM39846 OB(O)c1cccc(NS(=O)(=O)c2cc(c(Cl)s2)N(=O)=O)c1
BDBM39847 OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)c1
BDBM39848 OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)c1
BDBM39849 OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
BDBM39850 OB(O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)c1
BDBM39851 OB(O)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1
BDBM39852 OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c1
BDBM39853 OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)N(=O)=O)c1
BDBM39854 OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)N(=O)=O)c1
BDBM39856 OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1
BDBM39857 OB(O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc2)c1
BDBM39597 OP(O)(=O)c1ccccc1OCc1ccccc1
BDBM39808 OB(O)CNC=O
BDBM39809 OB(O)CNC(=O)Cc1ccccc1
BDBM39810 OB(O)CNC(=O)COc1ccccc1
BDBM39811 CC(Oc1ccccc1)C(=O)NCB(O)O
BDBM39812 CCOc1ccc2ccccc2c1C(=O)NCB(O)O
BDBM39813 OB(O)CNC(=O)CCl
BDBM43485 [H][C@@]12C[C@@H](C)[C@]3([H])C4OC4C(=O)[C@@]3(C)[C@@H](O)[C@]1([H])C(=C)C(=O)O2
BDBM43465 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(Cl)cc2)cn1 |w:11.11|
BDBM43816 Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
BDBM43818 CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
BDBM43424 Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
BDBM43506 CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
BDBM43509 COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
BDBM43513 COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
BDBM43524 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
BDBM43226 O=C(Nc1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCS1(=O)=O |c:10|
BDBM43228 Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8|
BDBM43230 OC(=O)c1ccccc1Sc1ncnc2sc3CCCc3c12
BDBM41607 Clc1ccccc1C(=O)OCn1ncc(Cl)c(Cl)c1=O
BDBM41609 Cc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
BDBM42532 Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
BDBM42060 Clc1cnn(CC(=O)N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(=O)c1Cl
BDBM41848 OC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM41849 Cn1cc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c2ccccc12
BDBM41850 OC(=O)[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM41851 OC(=O)[C@@H](Cc1ccc2ccccc2c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM41852 Cc1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c(C)c1
BDBM41853 CC(C)(C)c1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)cc1
BDBM41854 OC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM41855 OC(=O)[C@@H](Cc1c2ccccc2cc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM46057 Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
BDBM46079 Fc1ccc(cc1)-n1sc2ccccc2c1=O
BDBM46087 COc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
BDBM45696 CSc1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1
BDBM44437 CCn1nc(-c2ccccc2)c2nc3ccccc3nc12
BDBM44526 [O-][N+](=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
BDBM48011 [O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
BDBM46981 Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
BDBM48505 CCc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
BDBM47440 Cc1nc(c(Br)n1Cc1ccc(Cl)c(Cl)c1)[N+]([O-])=O
BDBM47442 CNC(=O)c1nnsc1S(=O)c1ccc(Cl)cc1
BDBM47056 Cc1ccccc1-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O |(3.12,-4.21,;4.46,-4.98,;4.46,-6.52,;5.79,-7.29,;7.12,-6.52,;7.12,-4.98,;5.79,-4.21,;5.79,-2.67,;7.04,-1.76,;8.5,-2.24,;6.56,-.3,;5.02,-.3,;4.12,.95,;4.74,2.36,;3.97,3.69,;5,4.83,;6.41,4.21,;6.25,2.68,;7.74,4.98,;9.08,4.21,;10.41,4.98,;10.41,6.52,;9.08,7.29,;7.74,6.52,;4.54,-1.76,;3.08,-2.24,)|
BDBM47429 Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O
BDBM47591 CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
BDBM47803 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
BDBM47443 FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14|
BDBM47600 CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
BDBM47632 CCN1\C(Oc2ccc3ccccc3c12)=C\C=C\c1oc2ccc3ccccc3c2[n+]1CC
BDBM47374 [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](/C#N)C#N |t:6,8|
BDBM47222 Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1
BDBM46768 CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
BDBM46667 O=c1n(sc2ccccc12)-c1ccccc1
BDBM46457 CC(C)(C)C(=O)C(=C\c1cccc(c1)[N+]([O-])=O)\n1cncn1
BDBM46676 Clc1nss\c1=N/c1nncs1
BDBM46978 CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
BDBM46964 Clc1cnn(Cc2nnc(o2)-c2ccccc2Br)c(=O)c1Cl
BDBM51078 Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM51241 COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
BDBM51028 COc1ccc(cc1OC)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N
BDBM51030 CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
BDBM51212 Oc1ccc2C(=O)N(Cc3ccco3)C(=O)c3cccc1c23
BDBM51064 Oc1n(-c2ccc(Cl)cc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
BDBM51123 CCOC(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2nonc12
BDBM51165 Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
BDBM50996 COc1ccc(cc1)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N
BDBM51168 O=c1ccc2cc3CCCN4CCCc(c34)c2o1
BDBM51266 COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)|
BDBM51269 CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23
BDBM51225 COc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
BDBM50229 COc1ccc(cc1)C(=O)c1sc2nc(ccc2c1N)-c1ccc(OC)cc1
BDBM50164 CCOc1ccc(\C=C\[N+]([O-])=O)c2ccccc12
BDBM50605 COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|
BDBM50864 CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
BDBM50875 FC(F)(F)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34
BDBM50652 Cc1cc2nc(C=Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C
BDBM50600 CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
BDBM50971 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C(\C#N)c2nc3ccccc3s2)o1
BDBM50972 CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
BDBM49443 Cn1cccc1\C=C1/CCC\C(=C/c2cccn2C)C1=O
BDBM53440 COc1ccc(CC2=CC(=O)c3ccccc3C2=O)cc1 |t:7|
BDBM53465 Oc1cccc(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c1
BDBM53605 ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
BDBM53797 O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccccc1 |c:11,13|
BDBM52304 COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
BDBM53070 CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
BDBM53185 FC(F)(F)c1nc2cccc3ccc(C=O)c([nH]1)c23
BDBM53192 Nc1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
BDBM53126 Oc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(Cl)cc1
BDBM53129 CN1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM53032 CN(C)c1ccc(\C=C2\OC(=S)N(C)C2=O)cc1
BDBM52019 COc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.27,-.3,;11.81,-.3,;12.28,1.17,;11.04,2.07,)|
BDBM52020 C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O
BDBM52021 CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](C)C(O)=O)c12
BDBM52022 OC(=O)c1c2CSCn2c(c1C(O)=O)-c1ccc(Br)cc1
BDBM52023 Cc1ccc(cc1)-c1c(C(O)=O)c(C(O)=O)c2CSCn12
BDBM52024 OC(=O)COc1ccccc1C=Nn1c(n[nH]c1=S)C1CCCCC1 |w:12.13|
BDBM52025 COc1ccc2[nH]c(C(O)=O)c(CCN3C(=O)c4ccc(cc4C3=O)C(O)=O)c2c1
BDBM52026 OC(=O)c1ccccc1C(=O)c1cccc2ccccc12
BDBM51980 CCCCn1c(n[nH]c1=S)-c1sccc1C
BDBM51981 CC(=O)c1ccc(cc1)-c1ccc(Cn2c(C)nc3cc(N)c(C)nc23)cc1
BDBM51982 CCCn1c(n[nH]c1=S)C(C)C
BDBM51983 CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
BDBM51984 COc1ccc(cc1OC)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1
BDBM51798 COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
BDBM51940 CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
BDBM51941 COc1cccc(c1)-n1c(CNC(=O)OC(C)(C)C)n[nH]c1=S
BDBM51942 CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1
BDBM51943 COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
BDBM52027 Fc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
BDBM52028 Fc1cccc(F)c1C(=O)Nc1nnc(SCC(=O)NCc2ccccc2)s1
BDBM51946 S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12 |(10.99,-1.19,;9.53,-1.67,;9.05,-3.14,;7.51,-3.14,;7.04,-1.67,;5.57,-1.19,;5.1,.27,;3.56,.27,;3.08,-1.19,;4.33,-2.1,;8.28,-.77,;8.28,.77,;6.95,1.54,;6.95,3.08,;8.28,3.85,;9.62,3.08,;10.99,3.91,;12.39,3.12,;12.39,1.51,;10.99,.72,;9.62,1.54,)|
BDBM51947 COc1ccc(cc1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cc(OC)ccc1OC
BDBM51948 Fc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1
BDBM51949 O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1ccccc1
BDBM51950 OC(=O)C1Sc2[nH]c(=O)sc2C2C1C(=O)Oc1ccc(Cl)cc21
BDBM51944 S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1
BDBM51945 S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
BDBM51985 CC(=C)Cn1c(n[nH]c1=S)-c1cccs1
BDBM51986 [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C(F)(F)F
BDBM51987 O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccco1
BDBM51989 Cn1c(n[nH]c1=S)-c1sccc1OCc1ccc(Cl)cc1Cl
BDBM51990 CCn1c(n[nH]c1=S)-c1nn(ccc1=O)-c1ccccc1
BDBM51991 OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2cccc(Br)c2)c1 |w:12.11|
BDBM51992 OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
BDBM52029 OC(=O)\C=C\c1nnc2c3ccccc3cnn12
BDBM52030 Fc1ccccc1\C=C1\Sc2ccc(cc2NC1=O)C(=O)NCCCN1CCOCC1
BDBM52031 O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
BDBM52032 COc1ccc(OC)c(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1cccnc1
BDBM52033 Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c12
BDBM52034 CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(O)=O)ccc12
BDBM52035 Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c(C)c(C)c(=O)oc12
BDBM52036 Cc1cc(OCC(=O)N2CCC[C@@H]2C(O)=O)c2c(C)c(C)c(=O)oc2c1
BDBM52037 CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
BDBM52038 Cc1c(C)c(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
BDBM52039 Fc1ccccc1\C=C1/SC(=S)N(CCC(=O)NCCCn2ccnc2)C1=O
BDBM52040 Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccco1 |t:8|
BDBM52041 Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c3CCCc3c(=O)oc12
BDBM52042 Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
BDBM52043 CCCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
BDBM52044 Fc1ccc(CNC(=O)CSc2nnc(NC(=O)c3ccccc3F)s2)cc1
BDBM52045 O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccco1
BDBM52046 Clc1ccccc1CNC(=O)CSc1nnc(NC(=O)C2CC2)s1
BDBM52047 Cc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
BDBM52048 Fc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
BDBM52049 [O-][N+](=O)c1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
BDBM52050 Clc1ccc(Br)cc1C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
BDBM52051 Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
BDBM52052 COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
BDBM51704 Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)c1ccccc1
BDBM51988 CC(C)(C)c1ccc(COc2ccsc2C(O)=O)cc1
BDBM51998 CN(C)S(=O)(=O)c1cccc(NC(=S)NN=CC2CCC=CC2)c1 |w:15.14,c:20|
BDBM51951 CCOC(=O)N=S(N)(=O)c1ccccc1
BDBM51952 CCOC(=O)c1[nH]c(C(O)=O)c(CCC(=O)OC)c1C
BDBM51953 COc1ccc(cc1)-c1cc(nc(n1)N1CCN(C)CC1)C(F)(F)F
BDBM51993 CCc1n[nH]c(=S)n1N=Cc1ccc(NC(C)=O)cc1 |w:8.8|
BDBM51994 C=CCn1c(n[nH]c1=S)C1CC1
BDBM51995 S=c1[nH]nc(-c2cccs2)n1Cc1ccccc1
BDBM51954 OC(=O)Cn1cccc1C(=O)c1ccccc1
BDBM51955 S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1
BDBM51956 Cc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccccc1
BDBM51957 CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
BDBM51958 CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
BDBM51996 CC1CCCCC1n1c(n[nH]c1=S)-c1cccnc1
BDBM51997 COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1
BDBM51959 CCCCn1c(n[nH]c1=S)-c1ccoc1C
BDBM51960 Cc1oc(cc1COc1cc(C)cc2oc(=O)c3CCCCc3c12)C(O)=O
BDBM51999 S=c1[nH]nc(C2CC2)n1Cc1ccccc1
BDBM52000 Cc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c2ccccc2n1
BDBM52001 Cc1cc(C)n(n1)-c1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1
BDBM51961 CCCCn1c(n[nH]c1=S)-c1nn(C)cc1Cl
BDBM51962 CCCCn1c(n[nH]c1=S)-c1nn(C)c(C)c1Cl
BDBM52002 S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccc2OCCOc2c1
BDBM52003 [O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1F |w:10.11|
BDBM52004 [H]C12CCC([H])(C1)C(C2)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S |TLB:9:7:6:3.2|
BDBM52005 S=c1[nH]nc(Cn2c(nc3ccccc23)-c2ccccn2)n1-c1ccc2OCCOc2c1
BDBM51963 CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
BDBM51964 O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3CCCc3c12
BDBM51965 CC(C)Cn1c(n[nH]c1=S)-c1ccco1
BDBM51966 S=c1[nH]nc(C2CC2)n1Cc1ccco1
BDBM51967 Cc1n[nH]c(=S)n1-c1cccc(C)c1C |(3.08,1.17,;4.54,1.64,;5.02,3.11,;6.56,3.11,;7.04,1.64,;8.5,1.17,;5.79,.74,;5.79,-.8,;7.12,-1.57,;7.12,-3.11,;5.79,-3.88,;4.46,-3.11,;3.12,-3.88,;4.46,-1.57,;3.12,-.8,)|
BDBM51968 Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+]([O-])=O
BDBM51969 Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(C)cc1
BDBM51970 COc1cc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)cc1OC |w:9.9|
BDBM52006 NC(=O)SCC(=O)Nc1ccccc1C(O)=O
BDBM52007 O[As](O)(=O)c1cc(ccc1-c1ccccc1)[N+]([O-])=O
BDBM52008 OC(=O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O
BDBM51688 COc1ccc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)c1 |w:10.10|
BDBM52009 OC(=O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc(c2C1=O)[N+]([O-])=O
BDBM52010 COCC(C)NC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1
BDBM51899 CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
BDBM51971 Cn1c(n[nH]c1=S)-c1sccc1OCc1ccccc1
BDBM51972 [#8]-[#6](=O)-[#6](\[#7]-[#6](=O)-c1ccccc1)=[#6](/Cl)Cl
BDBM51973 OC(=O)CC\C(=C/c1cc(ccc1Cl)[N+]([O-])=O)c1nc2ccccc2s1
BDBM52011 S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
BDBM52012 COc1cc2CCN(C(C)c2cc1OC)C(=O)c1nccnc1C(O)=O
BDBM52013 CC(C=Nn1c(C)n[nH]c1=S)=Cc1ccccc1 |w:3.3,11.12|
BDBM51640 COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)c(OC)c1OC)=[N+]2C |c:29|
BDBM51974 CC1=C(N2C(SC1)C(NC(=O)c1nn(C)cc1[N+]([O-])=O)C2=O)C(O)=O |t:1|
BDBM51975 CC(C)Cc1cc([nH]c(=O)n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)n1
BDBM51976 CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccccc1 |w:3.3,16.18|
BDBM51977 O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1cccs1
BDBM51978 [H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1cccnc1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|
BDBM51979 CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1CCCN1CCOCC1
BDBM52014 CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1 |w:8.8,12.13|
BDBM52015 Cc1n[nH]c(C)c1CCCCOc1ccc(cc1)[N+]([O-])=O
BDBM52016 Clc1ccc(CNc2c(C=O)c(=O)[nH]c3ccccc23)cc1
BDBM51902 COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
BDBM51914 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|
BDBM52017 Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1Br |w:7.7|
BDBM52018 CSC[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O
BDBM55634 [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](/C#N)C#N |t:5,7|
BDBM55829 N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |c:11,14|
BDBM54724 O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
BDBM54428 Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O
BDBM54804 Brc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
BDBM54810 COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O
BDBM54482 Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
BDBM54499 COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
BDBM54506 Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
BDBM54510 CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM54811 Clc1ncnc2n(-c3ccccc3)c(=S)sc12
BDBM54814 Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
BDBM54818 CNc1cc(Cl)c2nonc2c1[N+]([O-])=O
BDBM54827 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44|
BDBM54828 CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
BDBM54829 [O-]c1ccccc1Nc1cc(Cl)c2[nH+]onc2c1[N+]([O-])=O
BDBM54839 CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM54825 CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
BDBM54764 Clc1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
BDBM54849 CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM54993 CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(3.08,-3.75,;4.41,-2.97,;5.75,-3.74,;5.75,-5.28,;4.42,-6.05,;7.08,-2.96,;7.08,-1.36,;8.47,-.56,;9.85,-1.39,;11.18,-.62,;10.41,.72,;8.87,.72,;8.1,2.05,;8.87,3.38,;10.41,3.38,;11.18,2.05,;12.72,2.05,;12.72,3.59,;14.26,2.05,;12.72,.51,;8.1,4.72,;7.33,6.05,;6.77,3.95,;9.44,5.49,;12.52,-1.39,;13.89,-.56,;15.29,-1.36,;15.29,-2.96,;13.89,-3.75,;12.52,-2.93,;11.18,-3.7,;9.85,-2.93,;8.47,-3.75,;16.62,-3.74,;16.61,-5.28,;17.94,-6.05,;17.96,-2.97,;19.29,-3.75,)|
BDBM55059 Oc1ccc2c(-c3ccccc3)c3ccc(=O)cc3oc2c1
BDBM57914 Cl\C(C(=O)Nc1ccccc1Cl)=C(\Cl)S(=O)c1ccccc1
BDBM57378 Clc1ccc(cc1)S(=O)c1snnc1C(=O)Nc1ccccc1
BDBM57650 Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1Cl |c:25|
BDBM60990 CC[Hg]Sc1ccccc1C([O-])=O
BDBM61035 Clc1ccc(cc1)-c1ccc(\C=C(\C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
BDBM61057 [O-][N+](=O)\C=C\c1cn(Cc2ccccc2C#N)c2ccccc12
BDBM61058 Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
BDBM61011 COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21
BDBM60237 O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccc(cc1)-c1ccccc1 |c:11,13|
BDBM60649 [O-][N+](=O)\C=C/c1ccc(cc1)N1CCOCC1
BDBM60659 Clc1ccc(cc1)S(=O)c1snnc1C(=O)N1CCOCC1
BDBM60189 [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:8,10|
BDBM60974 O=C(Nc1cccc(c1)N1C(=O)C=CC1=O)c1cccs1 |c:13|
BDBM60980 CC1=C2N=c3cc(O)ccc3=C2CCN1 |c:1,11,t:3|
BDBM59071 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
BDBM59086 CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
BDBM58962 CCN(CC)c1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1
BDBM58965 [O-][N+](=O)c1ccc(Sc2nc3ccccc3o2)c(c1)[N+]([O-])=O
BDBM59054 [O-]c1ccc(Nc2cc(Cl)c3[nH+]onc3c2[N+]([O-])=O)cc1
BDBM59497 [#6]-[#6]C1([#6])[#8]\[#6](=[#6]/[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)-[#6]=[#6](-[#8]1)-c1ccccc1 |c:18|
BDBM58553 Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)cc1C
BDBM58598 COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
BDBM58440 CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
BDBM58615 CCOC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM58945 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C[C@@H](C)CC)nn1
BDBM58506 CCc1ccc(Nc2n[n+](c(s2)-c2c(Cl)cccc2Cl)-c2ccccc2)cc1 |(10.62,16.06,;9.72,14.82,;10.35,13.41,;11.88,13.25,;12.5,11.84,;11.6,10.6,;12.22,9.19,;11.32,7.94,;9.78,7.94,;9.3,6.48,;10.55,5.57,;11.79,6.48,;10.55,4.03,;9.22,3.26,;7.68,3.26,;9.22,1.72,;10.55,.95,;11.88,1.72,;11.88,3.26,;13.22,4.03,;7.8,6.8,;6.77,5.66,;5.26,5.98,;4.78,7.44,;5.81,8.59,;7.32,8.27,;10.07,10.76,;9.44,12.17,)|
BDBM58508 Fc1ccc(cc1)-[n+]1nc(Nc2ccccc2)sc1-c1c2ccccc2cc2ccccc12 |(,7.81,;1.51,7.49,;2.54,8.64,;4.04,8.32,;4.52,6.85,;3.49,5.71,;1.98,6.03,;6.03,6.53,;6.5,8,;8.04,8,;8.95,9.24,;8.32,10.65,;9.23,11.9,;8.6,13.3,;7.07,13.46,;6.16,12.22,;6.79,10.81,;8.52,6.53,;7.27,5.63,;7.27,4.09,;8.6,3.32,;9.98,4.14,;11.38,3.35,;11.38,1.75,;9.98,.95,;8.6,1.78,;7.27,1.01,;5.94,1.78,;4.56,.95,;3.17,1.75,;3.17,3.35,;4.56,4.14,;5.94,3.32,)|
BDBM63203 CCOC(=O)COc1ccccc1\C=C/[N+]([O-])=O
BDBM63144 CC(C)OC(=O)c1sc2nc(ccc2c1N)-c1ccccc1
BDBM61923 CC(=O)Nc1ccc2sn(-c3ccccc3)c(=O)c2c1
BDBM61924 FC(F)(F)c1ccc2sn(-c3ccccc3)c(=O)c2c1
BDBM62229 COc1ccc(c(n1)S(=O)(=O)c1ccccc1)[N+]([O-])=O
BDBM62230 [O-][N+](=O)c1cnc(Sc2ccncn2)s1
BDBM61931 CC(=O)Nc1ccc2c(c1)sn(-c1ccccc1)c2=O
BDBM61664 Clc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:8|
BDBM61638 CC(NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\C#N)c1ccccc1
BDBM61910 Fc1ccc2c(c1)sn(-c1ccccc1)c2=O
BDBM61916 COc1ccc(cc1)-n1sc2ccccc2c1=O
BDBM61917 [O-][N+](=O)c1ccc2sn(-c3ccccc3)c(=O)c2c1
BDBM61733 CC(C)n1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)c2ccccc12 |w:7.6|
BDBM61926 Fc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
BDBM61928 Brc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
BDBM61932 Cc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
BDBM61747 CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1 |w:3.3|
BDBM61753 CC(Nc1nc(cs1)-c1ccc(C)cc1)c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C)cc1
BDBM61936 Clc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
BDBM62227 Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)Nc1ccccc1
BDBM61577 CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O
BDBM61520 [H]C12CCC([H])(N1C)\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1 |TLB:19:18:6:3.2,THB:9:8:6:3.2|
BDBM61118 COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O |t:9|
BDBM61540 CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
BDBM61623 [#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:9,11|
BDBM66060 COc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:9|
BDBM66103 CC(=O)N(c1sc(=O)n(c1O)-c1ccccc1)c1cccc(C)c1
BDBM66104 CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12
BDBM66105 CC(N=O)c1ccc2c3CCCCc3[nH]c2c1
BDBM66106 CCN(CC)c1ccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc2c1
BDBM66107 CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1
BDBM66070 O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
BDBM66108 COc1ccc(cc1)-c1occ(C(O)=O)c1C(O)=O
BDBM66109 CC(C)C(CCN1C(=O)c2ccccc2C1=O)c1ccco1
BDBM66110 COc1ccc2c(Cl)c(sc2c1Cl)C(=O)NCCCn1ccnc1
BDBM66425 CN(c1ccccc1)c1ccc(\C=C\[N+]([O-])=O)cc1
BDBM66111 Cc1nn(c(Cl)c1\C=C(/CC(O)=O)c1nc2ccccc2s1)-c1ccccc1
BDBM66112 COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
BDBM66113 Oc1c2C(C=CC(c2c(O)n1-c1ccncc1)c1ccccc1)c1ccccc1 |c:4|
BDBM66114 Oc1c2C(C=CC(c2c(O)n1-c1ccccn1)c1ccccc1)c1ccccc1 |c:4|
BDBM66115 N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:11,14|
BDBM66116 N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:11,14|
BDBM66117 CN1\C(=C/C=C2\C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc12
BDBM66118 N=C1N2C=CSC2=NC(=O)\C1=C\c1coc2ccccc2c1=O |c:3,7|
BDBM66119 [#6]-n1cc(\[#6]=[#6](/[#6](-[#8])=O)\[#6](\[#6](-[#8])=O)=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)c2ccccc12
BDBM66120 OC(=O)c1ccccc1-c1ccc(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)o1 |w:13.13|
BDBM66122 OP(O)(=O)c1cc(oc1-c1ccccc1)-c1ccccc1
BDBM65993 CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
BDBM66121 CN(C)\C=C1/C=C2N(C1=O)c1ccccc1C2=O |c:5|
BDBM66123 Nc1ccc2ccc3cccc[n+]3c2c1
BDBM66124 CN(\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
BDBM66125 Cc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM65997 C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1cccs1)-c1ccccc1 |w:7.8|
BDBM66413 [O-][N+](=O)\C=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12
BDBM66126 [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12
BDBM66127 COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
BDBM66128 CNc1ccc2C(=O)N(C)C(=O)c3cccc1c23
BDBM66001 C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:7.8|
BDBM66129 Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM66130 CC(=O)Nc1ccc(cc1)N1C(=O)c2cccc3c(O)ccc(C1=O)c23
BDBM66131 CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM66132 CC(C)(C)c1ccc(cc1)-c1c(C(O)=O)c(C(O)=O)c2CSCn12
BDBM66133 CN(C)c1ccc(C=NN(C)C2=NS(=O)(=O)c3ccccc23)cc1 |t:11|
BDBM66134 CN(C)c1ccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)cc1 |t:13|
BDBM66135 Cc1ccc2[nH]cc(\C=C\c3cc[n+](C)cc3)c2c1
BDBM66136 Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
BDBM66137 Oc1c(Cl)cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl
BDBM66138 COC(=O)c1sccc1NC(=O)c1ccc(cc1)C#N
BDBM66139 CCOc1cc2CC(C)Oc2cc1\C=C\c1noc(C)c1[N+]([O-])=O
BDBM66253 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1
BDBM66140 COc1ccccc1-c1csc(n1)-n1ncc(C#N)c1N
BDBM66141 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
BDBM66142 COc1ccc(cc1)C(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 |w:10.11|
BDBM66143 CCOc1ccc(cc1)-c1cc(C(=O)NCCCn2ccnc2)c2cc(Br)ccc2n1
BDBM66144 Fc1ccc(cc1)N1N\C(S\C1=C1\C(=O)C=Cc2ccccc12)=[NH+]\c1ccccc1 |c:17|
BDBM66145 FC(F)(F)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
BDBM66146 COc1ccc(cc1)-c1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12
BDBM66147 CCn1c2nc(C)n(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2sc1=S
BDBM66148 COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)=NNC(=O)c1ccncc1 |w:19.21|
BDBM66149 CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc2c1
BDBM66150 Clc1ccc(\C=C2/SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)cc1
BDBM66151 CCOc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
BDBM66152 CCCCC(Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(O)=O
BDBM64173 O=C(C#Cc1ccccc1)c1ccco1
BDBM64104 [O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1ccccc1
BDBM64722 CC(C)n1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
BDBM65213 CCOC(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
BDBM65733 Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
BDBM64576 CCc1ccc2NC(=O)\C(=C/C(=O)c3cccs3)c2c1
BDBM63969 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
BDBM63626 Cn1ccnc1Sc1cc(NCCCO)c([N+]([O-])=O)c2nonc12
BDBM63629 Cc1ccc(cc1)-n1ncc(Br)c(Br)c1=O
BDBM63710 OC(=O)c1csc(n1)-c1ccccc1
BDBM63524 Cn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
BDBM63919 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
BDBM63957 COc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl
BDBM67750 CCOC(=O)c1nc(ncc1Cl)S(C)(=O)=O
BDBM67953 Oc1cc(Sc2nnnn2-c2ccccc2)c(O)n1-c1cccc(Cl)c1
BDBM68157 ClCCCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
BDBM68015 CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
BDBM68048 Nc1cc(Cl)c2nonc2c1[N+]([O-])=O
BDBM68179 Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1F
BDBM68180 [H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21|
BDBM68076 Cc1ccccc1Oc1cc(ncn1)-n1ncc(Cl)c(Cl)c1=O
BDBM68129 CCCNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
BDBM68036 Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O
BDBM68079 Cc1ccc(cc1)-n1c(Cl)c(Cl)nc(Cl)c1=O
BDBM68080 COc1cc(OC)nc(n1)-n1ncc(Br)c(Br)c1=O
BDBM68118 Clc1c(CN2CCCCC2)c(=O)oc2ccccc12
BDBM68130 CCCNC(=O)c1nnsc1S(=O)c1ccc(Cl)cc1
BDBM67804 Clc1ccccc1C(=O)OCn1ncc(Br)c(Br)c1=O
BDBM67092 CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
BDBM67298 Oc1ccc(cc1\C=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O)[N+]([O-])=O |c:23|
BDBM67313 Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccncc1
BDBM67449 FC(F)(F)c1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc12
BDBM67158 CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1 |c:6,11|
BDBM67258 COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1
BDBM67266 CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
BDBM67354 CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM67355 Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM67359 COc1ccc(OC)c(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
BDBM66950 CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM67000 Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
BDBM66727 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
BDBM66510 COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)c(O)c1
BDBM66694 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(OC(F)F)cc1
BDBM66519 Clc1cccc(c1)N1C(=O)NC(=Cc2ccc(o2)N2CCOCC2)C1=O |w:12.13|
BDBM71389 [O-][N+](=O)c1cc(Br)c(Nc2ccccc2)c(c1)[N+]([O-])=O
BDBM71405 COc1cccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)c1
BDBM70951 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc2ccccc2c1
BDBM71444 Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccc3OCOc3c2)c1
BDBM71445 Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM71446 Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
BDBM71447 Clc1cnc(nc1C(=O)NCc1ccc2OCOc2c1)S(=O)(=O)Cc1ccccc1
BDBM71450 Cc1cccc(C)c1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
BDBM71468 [O-][N+](=O)c1ccc(F)c(C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1F
BDBM71471 COc1ccc(CNC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM71472 CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
BDBM71479 CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM71504 CCOC(=O)C1CCN(CC1)S(=O)(=O)c1c(Cl)ccc2nonc12
BDBM71058 Fc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2Cl)cc1
BDBM71113 CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCc1nnc(o1)-c1ccccc1
BDBM71379 Clc1cc(oc(=O)c1Cl)-c1ccccc1
BDBM70498 Cc1noc2ncnc(Sc3ccccc3Cl)c12
BDBM70525 COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
BDBM70784 Clc1cccc(c1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
BDBM70785 Brc1ccc(cc1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
BDBM69817 COc1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)cc1O |w:8.8|
BDBM69776 COc1ccc(C(=O)\C=C2\C(=O)Nc3ccccc23)c(OC)c1
BDBM73825 CC(C)CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM73958 Brc1c[nH]n2c1nnc1ccc(=O)cc21
BDBM72932 COc1ccc(cc1)\N=C1\S\C(=C/c2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)N1CCN(C)C
BDBM72561 Cc1ccc(NN2C(=O)C=C(C2=O)c2ccccc2)cc1 |c:9|
BDBM72918 COc1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O
BDBM72802 C=CCN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2ccccc12
BDBM72329 Cc1cc(SC#N)cc(C)c1NC(=O)CCl
BDBM78579 CCCCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:15.16,t:18|
BDBM77365 CCCN1C(=S)N\C(=C/c2ccc(N3CCCC3)c(C)c2)C1=O
BDBM77570 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2CC=C)s1
BDBM81246 [O-][N+](=O)c1ccc(\C=C2\CS(=O)(=O)C\C(=C\c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
BDBM80701 CC(C)(C=O)C1=CC(=O)c2ccccc2C1=O |t:5|
BDBM81263 CCN(CC)c1ccc(cc1)[C+](c1ccccc1)c1ccc(cc1)N(CC)CC
BDBM80816 CC1OC2(CC3N4C(=O)C5(CO)SSC4(CC3(O)C2OC(C)=O)C(=O)N5C)C(=O)C1(C)C |TLB:24:23:13.12:6.7,26:25:13.12:6.7|
BDBM81268 COc1cc(ccc1N1C(=O)C=CC1=O)N1C(=O)C=CC1=O |c:12,20|
BDBM81272 Cc1ccc(cc1)S(=O)(=O)C=CS(=O)(=O)c1ccc(C)cc1
BDBM80746 ClC1=C(Oc2ccccc2)C(=O)c2ccccc2C1=O |c:1|
BDBM81194 CCCCc1c(O)n(-c2ccc(O)cc2)n(-c2ccccc2)c1=O
BDBM81198 CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC
BDBM80757 CCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O |c:6|
BDBM81216 O=C1C=CC(=O)N1CCCCCCCCCCN1C(=O)C=CC1=O |c:2,21|
BDBM81231 CC(=O)Nc1ccc-2c(Cc3cc(ccc-23)N2C(=O)C=CC2=O)c1 |c:21|
BDBM81232 FC(F)(F)C(=O)NC1c2ccccc2-c2ccc(cc12)N1C(=O)C=CC1=O |c:26|
BDBM81240 CC(=NNC(=S)N1CCN(CC1)c1ccccn1)c1nccs1 |w:2.2|
BDBM79711 Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
BDBM79544 COc1ccc(cc1)C(C[N+]([O-])=O)n1nc(C)cc1C
BDBM79545 Cc1cc(ccc1\C=C/[N+]([O-])=O)N1CCOCC1
BDBM79582 Brc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
BDBM79817 CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
BDBM80067 O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1 |t:3|
BDBM80068 CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
BDBM80069 CCOC(=O)c1cc(cc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O)[N+]([O-])=O
BDBM80079 Brc1cn(CC2(CC(=C)C(=O)O2)c2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
BDBM80083 COC(=O)C1=C(SC2(S1)c1ssc(=O)c1SC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:22,t:4|
BDBM80085 I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
BDBM80058 Oc1c(Cl)c(N=CCc2ccccc2)c(O)c2ccccc12 |w:5.4|
BDBM80060 Cc1[nH]c2ccccc2c1C1=CC(=O)C=CC1=O |c:16,t:12|
BDBM78954 CN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1
BDBM83273 COc1ccccc1NS(=O)(=O)c1cc(ccc1N=[NH+]Cc1c[n-]c2ccccc12)[N+]([O-])=O |w:18.19|
BDBM83274 CC(O)CN(CC(C)O)c1ccc-2c(Cc3cc(ccc-23)[N+]([O-])=O)c1
BDBM83275 [H]C12CCC3C(C1O)(C(=O)C2=C)C1(O)OCC32CCCC(C)(COC(C)=O)C2C1O |TLB:7:6:4.3.2:8.10|
BDBM83276 O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1
BDBM83253 Oc1cc2ccccc2c(=O)n1-c1ccccc1
BDBM83254 Cc1ccc(cc1)-n1c(O)cc2ccccc2c1=O
BDBM83279 O=C1C=CC2(O[C@H](Cc3ccccc3)[C@@H](Cc3ccccc3)O2)C=C1 |c:2,26|
BDBM83280 COc1ccc(C[C@@H]2OC3(O[C@H]2Cc2ccc(OC)cc2)C=CC(=O)C=C3)cc1 |c:23,27|
BDBM83281 COc1ccc(cc1OC)C1C(COC(C)=O)C(=C)C(=O)c2sccc12
BDBM83282 [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)Cc1ccccc1
BDBM83283 COc1ccccc1N(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O |c:13|
BDBM83284 FC(F)(F)c1ccccc1CNC(=O)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(CC1)N1CCCCC1
BDBM83285 COc1ccc(OC)c(\C=C\c2ccc(cc2)[N+]([O-])=O)c1
BDBM83395 Cc1cc2[nH]c3c(c(C)nc4ccccc34)c2cc1C
BDBM83233 Nc1ccc-2c(Cc3cc(ccc-23)[N+]([O-])=O)c1
BDBM83234 CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1ccc2OCOc2c1 |w:2.1|
BDBM83235 CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1 |w:3.3|
BDBM83236 CCN(CC)c1ccc(C=CC(=O)c2c(O)cc(C)oc2=O)cc1 |w:9.8|
BDBM83237 Clc1ccc(N2C(=O)C=CC2=O)c(c1)C(=O)c1ccccc1 |c:8|
BDBM83238 CC[C@H](C)\C=C(/C)\C=C\C1=CC2=CC(=O)[C@]3(C)OC(=O)[C@H]([C@@H]3C2=CO1)C(C)=O |c:24,t:9,11|
BDBM83239 COc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(OC)c1
BDBM83240 Nc1c(sc2nc(ccc12)-c1ccccc1)C(=O)N1CCCC1
BDBM83241 COc1cc(C=Cc2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O |w:6.6|
BDBM83242 Nc1c(sc2nsc(SCCN3CCCCC3)c12)C(=O)c1cccs1
BDBM83271 O=C1C=CC(=O)N1c1ccccc1N1C(=O)C=CC1=O |c:2,18|
BDBM83272 Brc1ccc(Br)c(=O)c(Br)c1
BDBM83277 CN(C)c1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
BDBM83278 Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)[N+]([O-])=O
BDBM83243 Nc1ccc2nc(cnc2c1)-c1ccccc1
BDBM83244 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C/c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
BDBM83245 [O-][N+](=O)c1ccc(cc1)N=NC=CCc1ccco1 |w:9.9,12.13|
BDBM83246 Cc1ccc(cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)C(O)=O
BDBM83247 CC(=O)Oc1ccc(cc1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
BDBM83248 CC(=O)Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
BDBM83249 Oc1ccccc1C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:11|
BDBM83250 CN(C)c1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1
BDBM83251 COc1cc2oc3cc(ccc3c(=O)c2cc1OC)C#Cc1ccc(N)cc1
BDBM83252 NNC(=O)c1oc2nc(cc(-c3ccccc3)c2c1N)-c1ccc(Cl)cc1
BDBM83255 COc1ccc(OC)c(\C=C\c2nc3ccccc3[nH]c2=O)c1
BDBM83256 COc1ccc(cc1OC)-c1cc2ccc(O)cc2oc1=O
BDBM83257 Cn1c2ccccc2c(=O)c2ccc(cc12)C#Cc1ccc(N)cc1
BDBM83258 CCC(C)Sc1ccc(cc1)-c1nc2cnccn2c1NC1CCCCC1
BDBM83259 [O-][N+](=O)c1cc(c(C#N)c(c1)S(=O)(=O)Cc1ccccc1)[N+]([O-])=O
BDBM83260 C1CCC(CC1)Nc1c(nc2cnccn12)-c1cccc(SC2CCCCC2)c1
BDBM83261 COc1ccc(cc1-c1cccc(Cl)c1)-c1nc2cnccn2c1NC1CCCCC1
BDBM83262 CCCCCCSc1cc(ccc1OC)-c1nc2cnccn2c1NCCCC
BDBM83263 CCCCNc1c(nc2cnccn12)-c1ccc(SC2CCCCC2)cc1
BDBM83264 O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
BDBM83265 Fc1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCC(Cc3ccccc3)CC2)c1
BDBM83266 O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
BDBM83267 FC(F)(F)c1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCC(Cc3ccccc3)CC2)c1
BDBM83268 COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(cc1)N(C)C
BDBM83269 CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NCc1cccs1
BDBM83270 CCN(CC)c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)cc1 |w:10.9|
BDBM83209 Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
BDBM83210 Nc1c(sc2nc(cc(-c3ccco3)c12)-c1ccccc1)C#N
BDBM83211 Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(Br)ccc(C1=O)c23
BDBM83212 Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1c(C)cccc1C |w:5.4,(3.08,-3.83,;4.54,-3.36,;5.02,-1.89,;6.56,-1.89,;7.47,-.65,;6.84,.76,;7.74,2.01,;7.12,3.41,;8.02,4.66,;7.4,6.07,;5.87,6.23,;4.96,4.98,;5.59,3.58,;5.47,7.72,;6.56,8.8,;3.98,8.11,;7.04,-3.36,;8.5,-3.83,;5.79,-4.26,;5.79,-5.8,;4.46,-6.57,;3.12,-5.8,;4.46,-8.11,;5.79,-8.88,;7.12,-8.11,;7.12,-6.57,;8.46,-5.8,)|
BDBM83213 COc1cc2n(Cc3cccc(C)c3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
BDBM83214 CC1C\C(=C\c2cccn2C)C(=O)\C(C1)=C\c1cccn1C
BDBM83215 CS(=O)(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1ccccc1
BDBM83216 Nc1c(sc2nc(cc(-c3ccc(Cl)cc3)c12)-c1cccs1)C#N
BDBM83217 Brc1cc(Br)c2nc(ccc2c1)-c1ccc(cc1)N1CCOCC1
BDBM83218 [O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1c[n-]c2ccccc12 |w:10.11|
BDBM83219 OC(CN1CCCCCC1)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
BDBM83220 CCCCN(C)CC(O)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
BDBM83221 Cn1c(nc2ccccc12)-c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 |(8.02,2.9,;9.56,2.9,;10.46,1.66,;11.91,2.13,;11.92,3.66,;13.07,4.69,;12.75,6.2,;11.28,6.67,;10.14,5.65,;10.46,4.14,;9.98,.2,;10.88,-1.04,;12.42,-1.04,;9.98,-2.28,;10.46,-3.75,;11.96,-4.06,;12.44,-5.53,;11.41,-6.67,;9.91,-6.36,;9.43,-4.89,;8.52,-1.81,;7.19,-2.58,;5.85,-1.81,;4.48,-2.64,;3.08,-1.85,;3.08,-.24,;4.48,.55,;5.85,-.27,;7.19,.5,;8.52,-.27,)|
BDBM83222 CC(=O)c1sc2nc(-c3ccc(C)cc3)c3CCCCc3c2c1N
BDBM83223 COc1ccccc1N1N=C(CC1c1ccccc1)c1cccs1 |c:10|
BDBM83224 CC(C)CNC(=O)COC(=O)c1c2CC\C(=C/c3cccs3)c2nc2ccccc12
BDBM83225 Cc1cccc(c1)N1C(=O)\C(=C/c2ccc(OC(F)F)cc2)c2ccccc2C1=O
BDBM83226 Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c1Cl
BDBM83227 CCCCNC(=O)COC(=O)c1c2CC\C(=C/c3cccs3)c2nc2ccccc12
BDBM83228 CNC(=S)NN=Cc1ccc(OCc2ccccc2)c(Br)c1 |w:5.4|
BDBM83229 [O-][N+](=O)c1ccc(cc1)[C-]1N[N+](Cc2ccccc2)=C2C1C(=O)NC2=O |c:20|
BDBM83230 Oc1ccccc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
BDBM83231 CCC(=O)c1ccc(C=Cc2nc3ccccc3n2C)o1 |w:9.9|
BDBM83232 [O-][N+](=O)c1ccc(cc1)-c1ccc(CN=Nc2nc(NCc3ccccc3)nc(n2)N2CCOCC2)o1 |w:15.16|
BDBM98851 CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)NCC(CNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(O)(=O)=O |r|
BDBM84259 [O-][N+](=O)c1cc(ccc1Cl)C(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc(c1)C#N
BDBM83825 Clc1cnn(CC(=O)Nc2ccc3OCOc3c2)c(=O)c1Cl
BDBM83860 [O-][N+](=O)c1ccc(Sc2ccncn2)c(c1)[N+]([O-])=O
BDBM87374 [H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CC[C@H](O)[C@@]4(C)C3CC1)C(=O)OC)C(=O)C2=C
BDBM89155 CCOC(=O)c1ccc(NC(=O)Nc2ccon2)cc1
BDBM88680 CCOP(=O)(CCP(=O)(OCC)OCC)OCC
BDBM93496 Cn1cnc(c1S(=O)(=O)Oc1cccc2ccccc12)[N+]([O-])=O
BDBM93497 Clc1cc(Cl)cc(CN2Cc3cnnn3-c3ccccc3C2C#N)c1
BDBM93498 CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O
BDBM93499 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2c1[nH]c1ccc(O)cc21
BDBM93500 [H]C12OC3C=C(C)C(CC3(COC(C)=O)C(C)(C(OC(C)=O)C1O)C21CO1)OC(=O)CC(C)C |t:4,TLB:26:24:17.22:2.9.3,18:17:24:2.9.3,THB:10:9:24:17.22,23:22:24:2.9.3,8:9:24:17.22,25:24:17.22:2.9.3|
BDBM93501 [H]C12Cc3ccc(O)c(Oc4ccc(CC([H])(N(C)C(=O)C(C)NC(=O)C(Cc5ccc(OC)cc5)N(C)C(=O)C(C)NC(=O)C(C)NC1=O)C(=O)N2C)cc4)c3
BDBM93502 [H]C12CC3OC(=O)\C=C/C=CC(OCC(O)C(C)CC(=O)OCC4(CC(O)C(C)=CC4O1)C3(C)C21CO1)C(C)O |c:7,28,TLB:36:34:3.2:31.23.30,35:34:3.2:31.23.30|
BDBM93503 CC1COC2(CC1OC(=O)\C=C\c1ccccc1)OC1CC(CCC1C21CO1)C(=O)OC1OC(C)C(O)C(OC(C)=O)C1OC1OC(C)C(O)C(OC(C)=O)C1O
BDBM93504 C=CC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
BDBM93505 COC(=O)C1(C)CCCC2(C)C3CCC4(O)CC3(CCC12)C(=O)C4=C
BDBM93506 OC1C(O)C(O)C2C(NC(=O)c3c(O)c4OCOc4cc23)C1O
BDBM93507 [H]C12OC([H])(C(C(=O)OC)=C1C(=O)OC)c1cc3ccccc3cc21 |c:9,TLB:23:24:2:10.5,11:10:2:24.15,THB:6:5:2:24.15,16:15:2:10.5|
BDBM93508 [H][C@]12C[C@H](OC(C)=O)[C@](C)([C@@]11CO1)C1(C)CCC(C)=CC1O2 |c:20,TLB:11:10:3.2:21.13.20,THB:12:10:3.2:21.13.20,4:3:10:21.13.20,15:13:10:3.2,14:13:10:3.2|
BDBM93509 [H]C12CC3OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC4(CC(O)C(C)=CC4O1)C3(C)C21CO1 |c:29,TLB:37:35:3.2:32.24.31,36:35:3.2:32.24.31|
BDBM93510 Clc1ccc(\C=C2\CN(C\C(=C\c3ccc(Cl)cc3)C2=O)C(=O)C=C)cc1
BDBM93511 Fc1ccc(\C=C2\CN(C\C(=C\c3ccc(F)cc3)C2=O)C(=O)C=C)cc1
BDBM93512 CCOC(=O)c1c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O
BDBM93513 CC(C)(C)NCC(=Cc1ccccc1)C(=O)c1ccccc1
BDBM93514 Clc1ccc(\C=C2\CN(C\C(=C\c3ccc(Cl)c(Cl)c3)C2=O)C(=O)CCN2CCOCC2)cc1Cl
BDBM93515 CN(C)CCC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
BDBM93516 CCN(CC)CCC(=O)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
BDBM93517 O=C(CCN1CCCCC1)N1C\C(=C\c2ccccc2)C(=O)\C(C1)=C/c1ccccc1
BDBM93518 O=C(CCN1CCOCC1)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1
BDBM93519 CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(C)=O
BDBM93520 [H]C12CC(OC(C)=O)C(C)(C11CO1)C1(C)CCC(C)=CC1O2 |c:20,TLB:11:10:3.2:21.13.20,THB:12:10:3.2:21.13.20,4:3:10:21.13.20,15:13:10:3.2,14:13:10:3.2|
BDBM93521 Cc1ccc(cc1)S(=O)(=O)N(CC#C)C[C@@H]1[C@@H](OC(=O)NCc2ccccc2F)[C@H](Cn2n1c(=O)ccc2=O)OC(=O)NCc1ccccc1F
BDBM93522 O=C1C(Cc2ccccc12)=C(N1CCOCC1)c1ccccc1
BDBM93523 CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)OC(=O)CC23)C1 |t:15|
BDBM93524 CCSc1ccc(cc1)-c1cc(NC=O)c2ncc(-c3cccc(c3)C(=O)NCCN(C)C)n2c1
BDBM93525 OC(c1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc23)cc1)(C(F)(F)F)C(F)(F)F
BDBM93526 CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)N1CCN(CCC2CCCCC2)CC1
BDBM93527 [H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C3CC1)C(=O)C2=C
BDBM93528 [H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CC[C@H](OC(C)=O)[C@@]4(C)C3CC1)C(=O)OC)C(=O)C2=C
BDBM93529 [H][C@]12C[C@@]3([C@H](C[C@]4([H])[C@@](C)(CC[C@H](OC(C)=O)[C@@]4(C)[C@]3([H])CC1)C(=O)OC)OC(C)=O)C(=O)C2=C
BDBM93464 Clc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
BDBM93495 Cn1cnc(c1S(=O)(=O)Oc1ccc(Cl)cc1)[N+]([O-])=O
BDBM93465 Cc1noc2ncnc(Sc3c(Cl)cccc3Cl)c12
BDBM93466 [O-][N+](=O)c1cc(ccc1F)S(=O)(=O)N1CCCCCC1
BDBM93530 O=c1ccc2ccccc2c2ccccc12
BDBM93531 [#6]-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6]\[#6](\[#6]=[#6]-1)=[#6](/C#N)-c1ccccc1 |c:6,9|
BDBM93532 CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C(C)C)C(=O)c1ccccc21
BDBM93533 CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
BDBM93534 CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
BDBM93535 CCCCCN1[C@@H]2c3ccc(Cl)cc3C[C@]2(C(=O)OCC)c2ccc(OC)cc2C1=O
BDBM93536 CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
BDBM93537 CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
BDBM93538 CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
BDBM93539 CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
BDBM93540 CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1ccccc21
BDBM93541 CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
BDBM93542 CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
BDBM93543 CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
BDBM93544 CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc21
BDBM93467 [O-][N+](=O)c1cc(\C=N\NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)ccc1Cl
BDBM93468 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(c1)C(F)(F)F
BDBM93469 CC(NC(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)c1ccccc1
BDBM93471 CN(CC(=O)Nc1ccc(C)cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
BDBM93472 Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1ncc(Cl)c(Cl)c1=O
BDBM93473 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1c2ccccc2C(C)=CC1(C)C |c:23|
BDBM93474 CNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c(c1)[N+]([O-])=O
BDBM93475 CN1CCN(CC1)c1ccc(NC(=O)c2c3CN(Cc4ccccc4)CCc3nc3ccccc23)c(C)c1
BDBM93476 CCC(=O)Nc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
BDBM93478 O=C(\C=C1/C(=O)Nc2ccccc12)/C=C1\C(=O)Nc2ccccc12
BDBM93479 Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(c1)[N+]([O-])=O
BDBM93480 Cc1c(C(=O)Nc2ccccc2)c2ccc(cc2n1O)C(F)(F)F
BDBM93481 C=CCOc1cccc(c1)C(=O)\C=C1\C(=O)Nc2ccccc12
BDBM93482 C=CCOc1ccccc1C(=O)\C=C1\C(=O)Nc2ccccc12
BDBM93483 CCOc1cc(\C=C2/COc3ccccc3C2=O)cc(Br)c1OCC(=O)N(C)C
BDBM93484 CCN(CC)CCN1C(=O)\C(S\C1=N/c1ccc(OC)cc1)=C/c1ccc(Cl)c(c1)[N+]([O-])=O
BDBM93485 COc1ccc(OC)c2sc(nc12)N(CCN(C)C)C(=O)\C=C\c1cccs1
BDBM93486 Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccccc2)c1
BDBM93487 CN(C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(C)cccc2s1
BDBM93488 CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1Cl
BDBM93489 Cc1n(nc2c(nnc(C)c12)N1CCC(CC1)C(=O)NCc1ccccc1C)-c1ccc(C)cc1
BDBM93490 CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
BDBM93491 COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
BDBM93492 CN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(Cl)c(c1)[N+]([O-])=O)S(=O)(=O)N1CCCCC1
BDBM93493 [O-][N+](=O)c1cc(\C=C2/SC(=O)N(CCNC(=O)C3=COCCO3)C2=O)ccc1Cl |t:17|
BDBM93494 Clc1cnn(CC(=O)NC(=O)NC2CCCCC2)c(=O)c1Cl
BDBM98778 CNCc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
BDBM98731 OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)CC2CCNC2)C1=O |r|
BDBM98732 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCCNC2)C1=O |r|
BDBM98733 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CNC2)C1=O |r|
BDBM98734 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCNC2)C1=O |r|
BDBM98735 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCCNCC2)C1=O |r|
BDBM98737 CN1CCC(CC1)NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98738 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCNC[C@@H]2F)C1=O |r|
BDBM98739 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCNC[C@@H]2F)C1=O |r|
BDBM98740 CO[C@H]1CNCC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98742 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCS(=O)(=O)CC2)C1=O |r|
BDBM98743 N[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98744 O[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98745 O[C@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98746 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CNC[C@@H]2F)C1=O |r|
BDBM98747 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CNC[C@H]2F)C1=O |r|
BDBM98748 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCN(C3CCNCC3)C2=O)C1=O |r|
BDBM98749 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCN(C3CCNCC3)C2=O)C1=O |r|
BDBM98750 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCCNC[C@@H]2F)C1=O |r|
BDBM98751 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCCNC[C@H]2F)C1=O |r|
BDBM98752 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2(F)CNC2)C1=O |r|
BDBM98753 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2CCCN2)C1=O |r|
BDBM98754 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2CCCCN2)C1=O |r|
BDBM98755 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2CCNCC2)C1=O |r|
BDBM98756 OCC(NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O)C1CCNCC1 |r|
BDBM98757 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC[C@@H]2CNCCCO2)C1=O |r|
BDBM98758 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC[C@H]2CNCCCO2)C1=O |r|
BDBM98759 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCCC2CCNCC2)C1=O |r|
BDBM98761 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCCN2CCCCC2)C1=O |r|
BDBM98762 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCCN2CCNCC2)C1=O |r|
BDBM98763 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2C3CNCC23)C1=O |r|
BDBM98764 CN(C1CCNCC1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98765 NCC1CCCCN1C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98766 NC1CCN(CC1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98767 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N2CCNCC2)C1=O |r|
BDBM98768 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N2CC3(C2)CCNCC3)C1=O |r|
BDBM98769 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N2CC3CNCC3C2)C1=O |r|
BDBM98770 N[C@@H]1CCN(C1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98771 N[C@H]1CCN(C1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98773 CN(C)C1CCN(C1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98774 NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
BDBM98775 NCc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
BDBM98776 NCc1ccccc1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98777 CNCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
BDBM98780 CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
BDBM98782 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(CN3CCCC3)cc2)C1=O |r|
BDBM98783 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3CNCCc3c2)C1=O |r|
BDBM98784 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3CNCc3c2)C1=O |r|
BDBM98849 [H][C@]12CN([C@@H](CC1)C(=O)OCCNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)N2S(O)(=O)=O |r|
BDBM98787 OC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
BDBM98788 NC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
BDBM98789 NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
BDBM98790 NC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
BDBM98791 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccnc2)C1=O |r|
BDBM98792 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccccn2)C1=O |r|
BDBM98794 [O-]S(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cc(nc(c2)N2CCCC2)N2CCCC2)C1=O |r|
BDBM98796 Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)n1 |r|
BDBM98798 CN(C)c1ccnc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
BDBM98799 NCc1ccnc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)c1 |r|
BDBM98800 NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)nc1 |r|
BDBM98802 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cc(ccn2)C2CCNCC2)C1=O |r|
BDBM98804 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccc(n2)C2CCNCC2)C1=O |r|
BDBM98806 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCNCC2)C1=O |r|
BDBM98808 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCOCC2)C1=O |r|
BDBM98810 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)N2CCCC2)C1=O |r|
BDBM98811 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cnccn2)C1=O |r|
BDBM98812 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccncn2)C1=O |r|
BDBM98814 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccnc(n2)N2CCNCC2)C1=O |r|
BDBM98816 Cn1ccnc1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98818 CN1CCN=C1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r,c:4|
BDBM98819 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2nccs2)C1=O |r|
BDBM98820 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2nc3CCNCc3s2)C1=O |r|
BDBM98822 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCCNCC2)C1=O |r|
BDBM98823 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCCNCC2)C1=O |r|
BDBM98824 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O |r|
BDBM98825 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC2)C1=O |r|
BDBM98826 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC2)C1=O |r|
BDBM98827 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CNC2)C1=O |r|
BDBM98828 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@@H]2F)C1=O |r|
BDBM98829 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@H]2F)C1=O |r|
BDBM98830 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CCNC[C@H]2F)C1=O |r|
BDBM98831 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CCNC[C@@H]2F)C1=O |r|
BDBM98832 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@@H]2F)C1=O |r|
BDBM98833 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNCC[C@H]2F)C1=O |r|
BDBM98834 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@@H]2F)C1=O |r|
BDBM98835 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@H]2F)C1=O |r|
BDBM98836 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNC[C@H]2F)C1=O |r|
BDBM98837 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNC[C@@H]2F)C1=O |r|
BDBM98838 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@H]2CNOC2)C1=O |r|
BDBM98839 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)O[C@@H]2CNOC2)C1=O |r|
BDBM98840 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CNNC2)C1=O |r|
BDBM98841 NCCOC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98843 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCCN2CCCCC2)C1=O |r|
BDBM98844 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCCC2CCNCC2)C1=O |r|
BDBM98845 CC1(COC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)CCNCC1 |r|
BDBM98846 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OCC2CNCCCO2)C1=O |r|
BDBM98847 NCc1ccc(OC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
BDBM98852 OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)NC2CCNC[C@H]2F)C1=O |r|
BDBM98853 OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)Nc2ccc3CNCCc3c2)C1=O |r|
BDBM98854 OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)Nc2ccc(cn2)C2CCNCC2)C1=O |r|
BDBM98855 OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)OCC2CCNCC2)C1=O |r|
BDBM98857 OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O |r|
BDBM98858 OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)NC2CCCNCC2)C1=O |r|
BDBM98860 OS(=O)(=O)ON1C2CN([C@@H](CC2)C(=O)Nc2ccncc2)C1=O |r|
BDBM98861 COc1cc(NC(=O)[C@@H]2CCC3CN2C(=O)N3OS(O)(=O)=O)ccn1 |r|
BDBM98862 CN(C)c1cc(NC(=O)[C@@H]2CCC3CN2C(=O)N3OS(O)(=O)=O)ccn1 |r|
BDBM98863 NCc1cc(CC(=O)[C@@H]2CCC3CN2C(=O)N3OS(O)(=O)=O)ccn1 |r|
BDBM114408 OC(=O)CSc1ccnc2cc(Cl)ccc12
BDBM50000407 OC(=O)c1ccccn1
BDBM50002861 OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1
BDBM50007082 COc1cc(\C=C\[N+]([O-])=O)ccc1O
BDBM50012957 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
BDBM50022788 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl |r|
BDBM50021954 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50021956 C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
BDBM50021959 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
BDBM50033680 CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033681 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccc1)C2=O)C([O-])=O |t:5|
BDBM50033682 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccn1)C2=O)C([O-])=O |t:5|
BDBM50033683 CON(C)C(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:16|
BDBM50033684 CC(=O)OCC1=C(N2[C@@H](\C(=C\Br)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033685 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
BDBM50033686 [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
BDBM50033689 [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
BDBM50033687 [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Cl)Cl)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
BDBM50033690 CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)|
BDBM50033691 [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
BDBM50033692 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C\Br)C2=O)C([O-])=O |t:5|
BDBM50033693 CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033694 CC(=O)OCC1=C(N2[C@@H](\C(=C/C(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033695 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(C)(C)C)C2=O)C([O-])=O |t:5|
BDBM50033696 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5|
BDBM50033697 CC(=O)OCC1=C(N2[C@H](SC1)C(=CC(C)=O)C2=O)C([O-])=O |w:12.13,t:5|
BDBM50033698 CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033699 CC(=O)OCC1=C(N2[C@@H](\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033700 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C=O)C2=O)C([O-])=O |t:5|
BDBM50033701 CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50038168 Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
BDBM50042528 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-5.8,-11.85,;-4.26,-11.87,;-3.45,-10.55,;-1.91,-10.57,;-1.02,-9.31,;-1.5,-7.84,;-.25,-6.94,;1.01,-7.84,;2.47,-7.38,;3.96,-8.12,;2.8,-5.87,;4.28,-5.45,;4.68,-3.96,;.52,-9.31,;1.42,-10.57,;2.96,-10.55,;3.73,-11.88,;5.27,-11.88,;6.03,-10.55,;5.24,-9.22,;3.72,-9.24,;7.57,-10.53,;8.34,-11.88,;9.88,-11.87,;10.63,-10.53,;9.86,-9.19,;8.32,-9.21,;7.77,-7.74,;9.03,-6.84,;8.57,-5.37,;7.04,-5.37,;6.54,-6.83,;-.64,-5.43,;.46,-4.34,;1.87,-4.11,;.04,-2.86,;-1.43,-2.45,;-1.85,-.94,;-2.52,-3.56,;-2.12,-5.04,;-3.26,-6.11,)|
BDBM50042531 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
BDBM50042532 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
BDBM50042535 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
BDBM50042540 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F
BDBM50042542 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl
BDBM50042543 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
BDBM50042544 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O
BDBM50042548 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1
BDBM50042555 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
BDBM50042556 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
BDBM50042557 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O
BDBM50042558 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1
BDBM50042559 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl
BDBM50042561 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl
BDBM50042562 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1
BDBM50042564 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1
BDBM50042565 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl |(-6.39,-5.83,;-4.86,-5.84,;-4.08,-4.52,;-2.54,-4.53,;-1.61,-3.29,;-2.1,-1.82,;-.85,-.9,;.39,-1.82,;1.86,-1.35,;2.18,.16,;3.35,-2.08,;-.08,-3.29,;.81,-4.53,;2.36,-4.52,;3.12,-5.86,;4.66,-5.84,;5.42,-4.52,;4.63,-3.2,;3.1,-3.2,;6.96,-4.5,;7.72,-5.84,;9.27,-5.84,;10.01,-4.5,;9.25,-3.16,;7.71,-3.16,;7.18,-1.7,;8.42,-.81,;7.94,.66,;6.41,.66,;5.94,-.81,;-1.26,.59,;-2.73,.98,;-3.86,-.07,;-3.12,2.44,;-2.04,3.56,;-.56,3.14,;-.16,1.68,;1.25,1.9,)|
BDBM50042568 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl
BDBM50042569 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C
BDBM50042574 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl
BDBM50042576 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-2.96,-14.32,;-1.41,-14.32,;-.64,-13.02,;.92,-13.03,;1.82,-11.79,;1.36,-10.32,;2.6,-9.41,;3.84,-10.32,;5.31,-9.83,;5.63,-8.33,;6.79,-10.57,;3.37,-11.79,;4.27,-13.03,;5.81,-13.02,;6.57,-14.35,;8.11,-14.34,;8.86,-13.02,;8.09,-11.69,;6.56,-11.7,;10.41,-13,;11.18,-14.34,;12.71,-14.32,;13.48,-13,;12.69,-11.64,;11.16,-11.67,;10.63,-10.21,;11.87,-9.31,;11.4,-7.85,;9.86,-7.83,;9.38,-9.3,;2.2,-7.88,;3.31,-6.78,;4.76,-6.54,;2.91,-5.28,;1.4,-4.86,;.98,-3.34,;.29,-5.99,;.69,-7.47,;-.47,-8.57,)|
BDBM50042577 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl
BDBM50042578 CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F
BDBM50042579 CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
BDBM50049708 C[C@@H](O)[C@@H]1[C@H]2CC(SCCN=CN)=C(N2C1=O)C(O)=O |r,w:11.11,c:12|
BDBM50053173 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50053176 C[C@]1(C=CCO)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053177 CC(=O)C=C[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |w:3.2|
BDBM50053178 C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053182 C[C@]1(\C=C/C(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50053184 C[C@]1(\C=C/C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50053183 C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50053185 C[C@]1(\C=C\COC(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50053186 C[C@]1(\C=C\c2nnco2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053187 CON(C)C(=O)\C=C/[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053175 C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50053179 C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053180 C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053181 CCOC(=O)\C=C/[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50059989 Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4|
BDBM50060966 OC(=O)c1ccc(Oc2ccccc2)cc1
BDBM50067051 NC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
BDBM50067052 Cn1ccnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067053 NC(=O)\C=C1/CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1
BDBM50067055 Oc1ccc(NCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
BDBM50067056 Oc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
BDBM50067057 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)C=Cc1cnc[nH]1 |w:15.17|
BDBM50067058 NC(=O)c1cccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1
BDBM50067059 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)Nc1ccccc1
BDBM50067060 CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067061 Cn1nnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067062 CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067063 NC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
BDBM50067064 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCNC1=O
BDBM50067065 NC(C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O)c1ccc(O)cc1
BDBM50067066 Cn1nnnc1S[C@@H]1CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1
BDBM50067067 CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OCC(=O)OCc1ccccc1
BDBM50067068 NC(=O)c1ccc(NC(=O)N2CC[C@@H]3C2C(=O)N3S(O)(=O)=O)cc1
BDBM50067069 NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
BDBM50067070 CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O
BDBM50067071 CC(C)(C)OC(=O)N1CC[C@@H]2C1C(=O)N2S(O)(=O)=O
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50067046 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)OCc1ccccc1
BDBM50067047 Cc1nn(C)c(SCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)nc1=O
BDBM50067048 Cn1cnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067049 [O-]S(=O)(=O)N1[C@H]2[C@H](N(C[C@@H]2F)C(=O)OCc2ccccc2)C1=O
BDBM50067050 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1
BDBM50065297 CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50067902 OB(O)c1ccsc1
BDBM50067903 OB(O)c1ccc(cc1)B(O)O
BDBM50067904 OB(O)c1ccccc1C=O
BDBM50067905 OB(O)[C@H]1CCOC1
BDBM50067906 Nc1cccc(c1)B(O)O
BDBM50067907 OB(O)c1csc2ccccc12
BDBM50067908 OB(O)c1ccc2[nH]ccc2c1
BDBM50067909 OB(O)c1cc2ccccc2c2ccccc12
BDBM50067910 OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O
BDBM50067911 Cc1csc(c1)B(O)O
BDBM50067912 OB(O)c1ccco1
BDBM50067913 OB(O)c1ccc2ccccc2c1
BDBM50067884 CCCCB(O)O
BDBM50067885 OB(O)c1ccc(cc1)C(O)=O
BDBM50067886 OB(O)c1ccc(\C=C\C(O)=O)cc1
BDBM50067887 O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
BDBM50067888 OB(O)[C@@H]1CCOC1
BDBM50067889 OB(c1ccccc1)c1ccccc1
BDBM50067890 CC(=O)c1ccc(s1)B(O)O
BDBM50067891 OB(O)c1ccc(Cl)s1
BDBM50067892 OB(O)c1ccc(Br)cc1
BDBM50067893 OB(O)c1cccc(c1)C(O)=O
BDBM50067894 OB(O)c1ccc(C=O)cc1
BDBM50067895 Cc1ccc(cc1)B(O)O
BDBM50067896 OB(O)c1cccc2ccccc12
BDBM50067897 OB(O)c1ccc2OCOc2c1
BDBM50067898 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM50067899 OB(O)c1cccs1
BDBM50067900 OB(O)c1cccc(\C=C\C(O)=O)c1
BDBM50067901 OB(O)c1sccc1C=O
BDBM50071058 C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
BDBM50076671 CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O |t:13|
BDBM50079679 COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(C)=O)S2(=O)=O)C1=O
BDBM50079680 C[C@]1(COC=O)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079681 C[C@]1(\C=C\C#N)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079682 C[C@]1(COC(=O)CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079683 COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(CCl)S2(=O)=O)C1=O
BDBM50079684 C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079685 CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079686 C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079689 C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
BDBM50079690 CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C(N)=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079692 Cn1nnnc1SCC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079693 COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(=O)CSc3nnnn3C)S2(=O)=O)C1=O
BDBM50079694 C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
BDBM50079695 CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
BDBM50079688 C[C@]1(CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079267 Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
BDBM50079691 CC1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50076672 CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
BDBM50076673 C[C@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50076674 C[C@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50076675 CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O
BDBM50076676 CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O
BDBM50076677 C[C@@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50076678 CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
BDBM50076679 C[C@]1(\C=C\C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
BDBM50076680 C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50076681 C[C@]1(\C=C/C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
BDBM50076682 CO\N=C\[C@@]1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
BDBM50076683 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
BDBM50081027 C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccccc1)C(O)=O
BDBM50081042 OC(=O)[C@H](S)Cc1ccc2oc3ccccc3c2c1
BDBM50082305 CCCCCCCCCCCCCCCc1cccc(O)c1
BDBM50081016 OC(=O)[C@H](S)Cc1ccccc1
BDBM50081017 CC(=O)S[C@H](Cc1ccccc1)C(O)=O
BDBM50081018 C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
BDBM50081019 C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081020 C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081025 OC(=O)[C@@H](Cc1ccc2oc3ccccc3c2c1)SC(=O)c1ccccc1
BDBM50081026 C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
BDBM50081030 C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccccc1)C(O)=O
BDBM50081034 C[C@@H](NC(=O)CCC(O)=O)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081035 C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(O)=O
BDBM50081037 CCC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081038 C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
BDBM50081040 C[C@@H](NC(=O)COc1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081044 CC(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081047 C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccccc1)C(O)=O
BDBM50081049 CC(C)C(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081050 C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081053 C[C@@H](NC(=O)Cc1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081013 OC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)SC(=O)c1ccccc1
BDBM50081056 OC(=O)[C@H](S)Cc1ccc(cc1)-c1ccccc1
BDBM50081057 OC(=O)[C@@H](Cc1ccccc1)SC(=O)c1ccccc1
BDBM50081064 C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081065 CC(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
BDBM50089775 COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2|
BDBM50089776 COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O |t:2|
BDBM50089777 COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2|
BDBM50088806 Cn1nnnc1SCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:9|
BDBM50088807 CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3|
BDBM50088808 CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
BDBM50088809 CC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
BDBM50088810 CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
BDBM50088811 CC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
BDBM50088812 CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C([O-])=O |t:1|
BDBM50088813 CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
BDBM50088814 CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
BDBM50088815 [#6]-[#16]\[#6](-[#16]-[#6])=[#6]1\[#6](-[#6])=[#6](-[#7]-2-[#6@@H](\[#6](=[#6]/c3ccccn3)-[#6]-2=O)S1(=O)=O)-[#6](-[#8-])=O |c:7|
BDBM50088816 COC(=O)C(\Cl)=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:7|
BDBM50088817 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)C#N |t:3|
BDBM50088818 COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
BDBM50088819 CCC(=O)OCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50088820 [O-]C(=O)C1=C(COC(=O)C=C)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50088821 NC(=O)\C=C\C1=C(N2C(\C(=C/c3cccs3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088822 [O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088823 Oc1ccc(CC(=O)OCC2=C(N3C(\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1O |t:10|
BDBM50088824 [O-]C(=O)C1=C(COC(=O)COc2ccccc2)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50088825 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\[N+]([O-])=O |t:3|
BDBM50088826 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1ccccn1 |t:3|
BDBM50088827 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C#N |t:3|
BDBM50088828 [O-]C(=O)C1=C(CC#N)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50088829 [O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
BDBM50088830 CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
BDBM50088831 NC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088832 CCOC(=O)CNC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:16.16,t:11|
BDBM50088833 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C=C |t:3|
BDBM50088834 COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50088835 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1cccc[n+]1[O-] |t:3|
BDBM50088836 NC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:10.10,t:5|
BDBM50088837 COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:6|
BDBM50088838 CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:9|
BDBM50092280 CCN1C(=S)S\C(=C/c2ccccc2)C1=O
BDBM50092281 SC1=NC(=O)C(S1)=C1C(=O)Nc2ccccc12 |w:5.4,t:1|
BDBM50092282 SC1=NC(=O)C(S1)=CC=Cc1ccco1 |w:9.10,7.8,t:1|
BDBM50092283 [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
BDBM50092284 [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
BDBM50092285 SC1=NC(=O)C(S1)=Cc1ccc(cc1)C#N |w:7.8,t:1|
BDBM50092286 CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
BDBM50092287 OC(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O
BDBM50092288 O=C1N(CNc2nncs2)C(=S)S\C1=C/c1ccccc1
BDBM50092267 O=C1N(CNc2nnn[nH]2)C(=S)SC1=Cc1ccccc1 |w:14.16|
BDBM50092268 [O-][N+](=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:7.6,c:11|
BDBM50092269 OC1=NC(=O)C(S1)=CC=Cc1ccc(o1)[N+]([O-])=O |w:9.10,7.8,t:1|
BDBM50092270 SC1=NC(=O)C(S1)=Cc1cn(cn1)-c1ccccc1 |w:7.8,t:1|
BDBM50092271 SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|
BDBM50092272 OC(=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
BDBM50092273 Oc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12|
BDBM50092274 CC(=O)Nc1ccccc1C=C1SC(S)=NC1=O |w:10.10,c:15|
BDBM50092275 SC1=NC(=O)C(S1)=Cc1cn(nn1)-c1ccccc1 |w:7.8,t:1|
BDBM50092276 SC1=NC(=O)C(S1)=CC=Cc1ccccc1 |w:7.8,9.10,t:1|
BDBM50092278 [O-][N+](=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
BDBM50092279 Oc1nc(S)sc1C=CCc1ccccc1 |w:8.9|
BDBM50099184 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O
BDBM50099185 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O
BDBM50099186 COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50099187 CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2=O)C1=O
BDBM50099188 CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3|
BDBM50099189 COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50099190 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O
BDBM50099192 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O
BDBM50099193 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O
BDBM50099194 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(O)=O
BDBM50099195 CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3|
BDBM50099191 CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O
BDBM50099196 CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O
BDBM50105976 Oc1cc(c2ccccc2c1N=Nc1ccc2ccccc2c1O)S(O)(=O)=O |w:12.14|
BDBM50105977 Oc1ccc2ccccc2c1N=Nc1c(O)cc(c2ccccc12)S(O)(=O)=O |w:11.12|
BDBM50111616 OC(=O)C1(C(O)=O)C23c4c5-c6c7c8c9c%10c%11c%12c%13c%14-c(c5C75C(C(O)=O)(C(O)=O)C%10%135)c5c4-c4c2c2c7c%10c%13c(c6C13%10)c8c1c9c3c%11c6c8c%12c9c%14C55C(C(O)=O)(C(O)=O)C55c4c4c%10c5c9c8c5c%10c8c(c24)c7c2c%13c1c1c2c8c5c6c31
BDBM50111585 Oc1ccc(cc1)N=Nc1ccc(Br)cc1 |w:8.9|
BDBM50111586 [#6]-1-[#6]-[#7]-[#6]-[#6](-[#6]-1)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
BDBM50111587 CC(C)(C)c1cc(\C=C2\C(=O)Nc3ncccc23)cc(c1O)C(C)(C)C
BDBM50111589 [#8-]-[#6](=O)-c1ccccc1\[#6](=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)-c1cc(I)c(-[#8-])c(I)c1 |c:18,t:12|
BDBM50111590 OC(=O)c1cc(nc(c1)-c1ccc(Sc2ccc(Cl)cc2)cc1)-c1ccc(Cl)cc1
BDBM50111591 Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1
BDBM50111592 Oc1c2c(cc(Cl)cc2=C)s\c1=c1\sc2cc(Cl)cc(=C)c2c1O
BDBM50111593 CCCCc1ccc(cc1)-c1cc(cc(n1)-c1ccc(Cl)cc1)C(O)=O
BDBM50111594 OC(=O)c1cc(nc(c1)-c1ccc(cc1)-c1ccccc1)-c1ccc(Cl)cc1
BDBM50111595 CC(C)CC(Oc1ccc(OC(=O)c2cc(nc(c2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)cc1)C(O)=O
BDBM50111596 Oc1ccccc1\C=N\NC(=O)C(=O)N\N=C\c1ccccc1O
BDBM50111597 CCCCCCC(Oc1ccc(cc1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1)C(O)=O
BDBM50111598 COC1CC[C@@]2(C)[C@@H](CCC3C4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)C23)C1
BDBM50111600 Oc1ccc(cc1)N=Nc1cccc(Br)c1 |w:7.7|
BDBM50111603 CN(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50111604 Oc1oc(\C=N\c2ccc(Oc3ccccc3)cc2)c2ccccc12
BDBM50111605 O=C1Nc2ccccc2\C1=C\c1ccc(s1)-c1cccs1
BDBM50111606 [O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I
BDBM50111607 Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1
BDBM50111608 Cc1ccc(cc1)-c1cc(cc(n1)-c1ccc2ccccc2c1)C(O)=O
BDBM50111609 OC(=O)COc1ccc(cc1)N=Nc1ccc2cc(Br)ccc2c1O |w:11.11|
BDBM50111611 Clc1ccc2sc(Sc3nnc(NC(=O)c4cccs4)s3)nc2c1
BDBM50111612 CC(C)(C)c1ccc(cc1)-c1cc(cc(n1)-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50111613 Oc1c(N=Nc2ccc(Br)cc2S([O-])(=O)=O)c(cc2cc(c(N=Nc3ccc(Br)cc3S([O-])(=O)=O)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O |w:4.4,23.24|
BDBM50111614 Oc1c2CCCCc2ccc1\C=C1\C(=O)Nc2ccccc12
BDBM50111615 Oc1c2c(cc(Cl)cc2=C)s\c1=c1/sc2cc(Cl)cc(=C)c2c1O
BDBM50112047 C\C=C1/[C@H]2C3CSCCC3=C(N2C1=O)C([O-])=O |c:10|
BDBM50112048 C\C=C1/[C@@H]2C3CCCCC3=C(N2C1=O)C([O-])=O |c:10|
BDBM50112049 C\C=C1/[C@H]2C3CCCCC3=C(N2C1=O)C([O-])=O |c:10|
BDBM50112051 C\C=C1/[C@@H]2C3CSCCC3=C(N2C1=O)C([O-])=O |c:10|
BDBM50115616 OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
BDBM50115618 CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O
BDBM50115620 Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl
BDBM50115621 OB(O)CNC(=O)Cc1cccs1
BDBM50114501 NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50114502 [O-]C(=O)CNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
BDBM50114503 [O-]C(=O)C1=C(F)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50114504 [O-]C(=O)C1=C(I)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50114505 [O-]C(=O)C1=C(Cl)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50114506 Oc1ccc(NC(=O)\C=C\C2=C(N3[C@@H](\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1 |t:10|
BDBM50114507 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NC1CC1 |t:3|
BDBM50114508 [O-]C(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
BDBM50114509 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCc1ccccc1 |t:3|
BDBM50114510 NCCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
BDBM50114511 NNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50114512 [O-]C(=O)C1=C(Br)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50114513 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F |t:3|
BDBM50114514 NC(=N)NCCNC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:9.8,16.16,t:11|
BDBM50114515 CN1CCN(CC1)C(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:12|
BDBM50114516 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)S(=O)(=O)c1ccccc1 |t:3|
BDBM50114517 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)Nc1c(F)c(F)c(F)c(F)c1F |t:3|
BDBM50114518 CS(=O)(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:4|
BDBM50114519 ONC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50114520 [O-]C(=O)C1=CCS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |t:3|
BDBM50114521 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)Sc1ccccc1 |t:3|
BDBM50114522 CSC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:2|
BDBM50114523 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1 |t:3|
BDBM50114524 OCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:8|
BDBM50114525 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1ccccc1 |t:3|
BDBM50121955 c1ccc(cc1)-c1ccncc1
BDBM50121953 OC(=O)CCS
BDBM50126829 CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
BDBM50129555 C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N |c:10,t:12|
BDBM50129563 CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50129564 CC1(C)[C@@H](N2[C@@H]([C@@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
BDBM50129565 CC1(C)[C@@H](N2[C@@H]([C@]3(C[C@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
BDBM50129566 CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50129567 CC(C)(C)[Si](C)(C)O[C@H]1C[C@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50129568 CC1(C)[C@@H](N2[C@@H]([C@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
BDBM50131991 O=C(\C=C1\C(=O)Nc2ccccc12)c1ccccc1
BDBM50134035 O=C(OCc1ccccc1)c1ccccc1
BDBM50134036 Cc1cccc(Nc2ccccc2C(O)=O)c1C
BDBM50142711 CC1CS[C@@H](NC1C([O-])=O)c1nc(O)c([nH]c1=S)-c1ccccc1
BDBM50140665 CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O
BDBM50140666 CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O
BDBM50140667 CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O
BDBM50140668 CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
BDBM50140669 CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O
BDBM50140670 CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O
BDBM50140671 CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
BDBM50140672 CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O
BDBM50140673 CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O
BDBM50145400 CC[C@H]1[C@@H]2C[N@@](C(C(=O)OCc3ccc(cc3)[N+]([O-])=O)C(OC)=C2)C1=O |c:23|
BDBM50145401 CC[C@H]1[C@@H]2C[N@](C1=O)C(C(O)=O)=C(C2)OC |c:12|
BDBM50145402 CC[C@H]1[C@@H]2C[N@](C1=O)C(C(=O)OCc1ccc(cc1)[N+]([O-])=O)=C(C2)OC |c:23|
BDBM50145404 COC1=C[C@H]2C[N@@](C1C(O)=O)C(=O)C2 |t:2|
BDBM50145405 COC1=C([N@@]2C[C@@H](CC2=O)C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:2|
BDBM50145406 COC1=C[C@H]2C[N@@](C1C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C2 |t:2|
BDBM60927 OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
BDBM212440 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(=O)(=O)O[Na] |r|
BDBM212441 CC1(Cn2ccnn2)[C@H](N2C(CC2=O)S1(=O)=O)C(=O)O[Na] |r|
BDBM50149778 OB(O)c1cccc(c1)N=Nc1ccc(O)cc1 |w:10.11|
BDBM50149781 OB(O)c1cc(ccc1O)N=Nc1ccc(Br)cc1 |w:11.12|
BDBM50149782 OB(O)c1cccc(c1)N=Nc1cc(Cl)c(O)c(Cl)c1 |w:9.9|
BDBM50149787 Cc1noc(C)c1\N=N\c1cccc(c1)B(O)O
BDBM50149788 OB(O)c1cccc(c1)N=Nc1ccc(cc1O)N=Nc1c(O)cc(O)c2ccccc12 |w:18.19,9.9|
BDBM50149789 OB(O)c1cccc(c1)N=Nc1ccc(cc1O)N=Nc1c(O)ccc2ccccc12 |w:18.19,9.9|
BDBM50149790 Nc1cc(ccc1\N=N\c1cccc(c1)B(O)O)B(O)O
BDBM50149791 OB(O)c1cccc(c1)N=Nc1ccccc1O |w:9.9|
BDBM50149466 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3|
BDBM50149467 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3|
BDBM50149468 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12 |t:3|
BDBM50149469 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3|
BDBM50149779 OB(O)c1cccc(c1)\N=N\c1cccc(c1)S(=O)(=O)c1csc(c1)S(O)(=O)=O
BDBM50149780 OB(O)c1cccc(c1)N=Nc1cc(c2ccccc2c1O)S(O)(=O)=O |w:9.9|
BDBM50149783 O[B-](=[OH+])c1cccc(c1)N=Nc1cccc(c1O)[N+]([O-])=O |w:9.9|
BDBM50149784 OB(O)c1cccc(c1)N=Nc1c(O)cc(O)c2ccccc12 |w:9.9|
BDBM50149785 OB(O)c1cccc(c1)N=Nc1ccc(O)c2ccccc12 |w:9.9|
BDBM50149786 OB(O)c1cccc(c1)N=Nc1c(O)ccc2ccccc12 |w:9.9|
BDBM50157687 Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14|
BDBM50157688 Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
BDBM50157689 [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21 |r,t:4|
BDBM50157691 COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:17|
BDBM50157692 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r|
BDBM50157693 [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21 |r,t:4|
BDBM50157694 Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
BDBM50163744 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
BDBM50167942 [O-]S(=O)(=O)CCCSc1nc2ccccc2s1
BDBM50167944 OC(=O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1
BDBM50167947 Cc1oc(C)c(c1C(O)=O)S(=O)(=O)Nc1cccs1
BDBM50167950 OC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1
BDBM50167938 NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccsc2C(O)=O)cc1
BDBM50167955 Cc1scc(NS(=O)(=O)c2ccc(C)cc2)c1C(O)=O
BDBM50167956 OC(=O)CCSc1nc2ccccc2s1
BDBM50169176 COC1(NC(=O)Cc2cccs2)C2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O |c:21|
BDBM50191377 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3|
BDBM50191378 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3|
BDBM50191379 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3|
BDBM50191380 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3|
BDBM50191381 COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17|
BDBM50191382 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1 |t:3|
BDBM50191383 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3|
BDBM50191384 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCSCc2n1 |t:3|
BDBM50191385 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3|
BDBM50191386 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3|
BDBM50191387 CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11|
BDBM50191388 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3|
BDBM50191389 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3|
BDBM50191390 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3|
BDBM50202234 CO\N=C(/C(=O)NCB(O)O)c1csc(N)n1
BDBM50202233 CC(=O)NCB(O)O
BDBM50208827 OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
BDBM50211049 COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1F
BDBM50211051 Fc1c(F)c(F)c(CSc2nc3ccccc3[nH]2)c(F)c1F
BDBM50211053 O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)c(NC(=O)c3ccco3)c2)cc1)c1ccco1
BDBM50211054 Brc1ccc(o1)C(=O)Nc1cccc2ccccc12
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50218936 C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCC#N)C3=C(N2C1=O)C([O-])=O |c:15|
BDBM50218938 C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14|
BDBM50218939 CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
BDBM50218932 CCCCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
BDBM50218934 C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14|
BDBM50218933 CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19|
BDBM50218935 CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:18|
BDBM50218937 CCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19|
BDBM50240349 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O |r|
BDBM50240426 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O |r|
BDBM50240480 C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r|
BDBM50244091 [NH3+]C(CC(O)=O)(CC(O)=O)C(O)=O
BDBM50244093 OC(C(CC([O-])=O)C([O-])=O)C([O-])=O
BDBM50284785 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C([O-])=O)C2=O)C([O-])=O |t:5|
BDBM50284786 COC(=O)\C=C1/[C@@H]2N(C1=O)C(C([O-])=O)=C(COC(C)=O)CS2(=O)=O |t:14|
BDBM50284787 COC(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:14|
BDBM50284788 CC(C)(C)OC(=O)\C=C1/[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
BDBM50284792 CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50284793 CC(C)(C)OC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50284794 CC(=O)OCC1=C(N2[C@@H](C(=C=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50284352 C\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
BDBM50293603 O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O |r,c:2|
BDBM50290038 C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(S2=O)C(C)(C)C |c:12|
BDBM50290039 C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-])=O)C(C)(C)C |c:6|
BDBM50290040 C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(C(C)(C)C)S2(=O)=O |t:12|
BDBM50292429 OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
BDBM50284783 CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50284784 COC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50284789 CC1(C)[C@@H](N2[C@@H](\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50284790 CC(=O)C=C1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O |w:3.2|
BDBM50284795 COC(=O)\C=C1/[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
BDBM50284796 CC1(C)S[C@H]2N([C@H]1C([O-])=O)C(=O)\C2=C\C([O-])=O
BDBM50309898 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 |r|
BDBM50309899 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCNCC1 |r|
BDBM50309900 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CCCNCC1 |r|
BDBM50309901 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1 |r|
BDBM50309902 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CNCCNC1 |r|
BDBM50309903 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CNCCOC1 |r|
BDBM50309904 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CNCCOC1 |r|
BDBM50309905 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1=O |r|
BDBM50309906 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCCC1 |r|
BDBM50309907 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCNCCC1 |r|
BDBM50309908 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCC1 |r|
BDBM50309909 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCCC1 |r|
BDBM50327179 CC1(C)[C@H](NC(=O)C(=N/OCc2cc(=O)c(O)cn2O)\c2csc(N)n2)C(=O)N1OS(O)(=O)=O |r|
BDBM50315411 OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1
BDBM50324678 OC(=O)c1cccs1
BDBM50324679 CC(=O)Nc1sccc1C(O)=O
BDBM50324680 CS(=O)(=O)Nc1ccc(cc1)C(O)=O
BDBM50324681 Nc1ccc(cc1O)C(O)=O
BDBM50324682 OC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1O)C(O)=O
BDBM50339868 OB1OCc2ccc(Oc3ccc(cc3)C(O)=O)cc12
BDBM50339869 OB1OCc2ccc(Oc3cnc(cn3)C(O)=O)cc12
BDBM50339870 OB1OCc2ccc(Oc3ncc(cn3)C(O)=O)cc12
BDBM50339846 OB1OCc2ccc(Oc3ccccc3)cc12
BDBM50339847 OB1OCc2ccc(Sc3ccccc3)cc12
BDBM50339848 OB1OCc2ccc(Cc3ccccc3)cc12
BDBM50339849 OB1OCc2ccc(cc12)C(=O)c1ccccc1
BDBM50339850 OB1OCc2ccc(cc12)C(O)c1ccccc1
BDBM50339851 OB1OCc2ccc(cc12)S(=O)c1ccccc1
BDBM50339852 OB1OCc2ccc(cc12)S(=O)(=O)c1ccccc1
BDBM50339145 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM50339853 OB1OCc2ccc(NC(=O)c3ccccc3)cc12
BDBM50339854 OB1OCc2ccc(cc12)C(=O)ONc1ccccc1
BDBM50339855 OB1OCc2ccc(Nc3ccccc3)cc12
BDBM50339856 COc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339857 Nc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339858 OCc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339859 NCc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339860 OB1OCc2ccc(Oc3cccc(OCc4ccccc4)c3)cc12
BDBM50339861 CN(C)Cc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339862 OB1OCc2ccc(Oc3cccc(c3)C(O)=O)cc12
BDBM50339863 COc1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50339864 Nc1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50339865 NCc1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50339866 CN(C)Cc1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50339867 CCOC(=O)c1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50336508 CC\C(C([O-])=O)=C(/CC)C([O-])=O
BDBM50336509 OC(=O)CS
BDBM50336510 COC1OC(C)=Cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c12 |c:5|
BDBM50336511 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3cc4ccccc4s3)=C(N2C1=O)C(O)=O |r,c:19|
BDBM50330325 OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
BDBM50335563 CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O |r,c:21|
BDBM50335803 Cc1occc(=S)c1O
BDBM50335523 CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16|
BDBM50347180 CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1
BDBM50347181 CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1
BDBM50347182 CON=C(C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 |w:2.1|
BDBM50347183 CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1
BDBM50347184 CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1
BDBM50347185 OP(=O)(CNC(=O)C(N=O)c1cccs1)Oc1ccc(C#N)c(F)c1
BDBM50347186 CO\N=C(/C(=O)NCP(O)(O)=O)c1cccs1
BDBM50347187 CO\N=C(\C(=O)NCP(O)(O)=O)c1cccs1
BDBM50355012 OC(=O)c1cccc(c1)C#Cc1ccccc1
BDBM50348183 OS(=O)(=O)N1[C@@H]2CCN[C@@H]2C1=O |r|
BDBM50348184 NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348185 CC(C)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348186 CN(C)CCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348187 CN(C)CCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348188 CN(C)CCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348190 CNCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50347188 [O-]P(=O)(CNC(=O)C(=N/OCCC[n+]1ccccc1)\c1cccs1)Oc1ccc(C#N)c(F)c1
BDBM50347189 CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1ccc(Cl)s1
BDBM50348177 C[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348178 C[N+]1(C)CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348179 OCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348180 OCCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348181 NCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348182 CN(C)CC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348189 CNCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50374362 OC(=O)c1csc(n1)C(=O)CNC(=O)Cc1ccccc1
BDBM50367298 COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
BDBM50377930 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O |r|
BDBM50370211 COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NCCCc1ccccc1
BDBM50370212 COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NCCNc1ccc(cn1)[N+]([O-])=O
BDBM50370963 CC(C)(O\N=C(/C(=O)NCB(O)O)c1csc(N)n1)C(O)=O
BDBM50369776 [O-][N+](=O)c1ccc(NN2C(=O)C3C(C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(c1)[N+]([O-])=O |t:19,TLB:9:11:23:19.17,20:19:23:11.12,THB:13:12:23:19.17,18:17:23:11.12|
BDBM50407935 C[C@]1(\C=C\C(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50408523 [NH-]C(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1
BDBM50403733 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CCO[C@@H]3CN)=C(N2C1=O)C(O)=O |c:16|
BDBM50421214 Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:8|
BDBM50421215 CC(=O)Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:11|
BDBM50421216 CC(C)(C)OC(=O)Nc1cccc(c1)C1=N[C@@H](CS1)C(O)=O |r,t:15|
BDBM50421218 COc1cccc(CC(=O)NCC2=N[C@@H](CS2)C(O)=O)c1 |r,t:12|
BDBM50421219 CC(C)(C)OC(=O)NCC1=N[C@@H](CS1)C(O)=O |r,t:9|
BDBM50421220 OC(=O)[C@@H]1CSC(=N1)c1ccccc1 |r,c:6|
BDBM50421221 OC(=O)c1csc(Cc2ccccc2)n1
BDBM50421222 OC(=O)[C@H]1CSC(=N1)c1ccccc1 |r,c:6|
BDBM50421223 OC(=O)[C@@H]1CSC(Cc2ccccc2)N1 |r|
BDBM50421224 OC(=O)[C@@H]1CSC(N1)c1ccccc1 |r|
BDBM50421225 OC(=O)[C@@H]1CSC(=N1)c1ccc(Br)cc1 |r,c:6|
BDBM50421226 OC(=O)[C@@H]1CSC(=N1)c1ccccc1O |r,c:6|
BDBM50421227 OC(=O)[C@@H]1CSC(CNC(=O)OCc2ccccc2)=N1 |r,c:19|
BDBM50421228 OC(=O)[C@@H]1CSC(Cc2ccccc2)=N1 |r,c:14|
BDBM50421229 OC(=O)[C@@H]1CSC(=N1)c1ccc(Cl)cc1 |r,c:6|
BDBM50421217 OC(=O)[C@@H]1CSC(CNC(=O)Cc2ccccc2)=N1 |r,c:18|
BDBM50421413 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O |r|
BDBM98785 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3NCCc3c2)C1=O |r|
BDBM178192 CC(=O)OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:16.18,6.6|
BDBM178153 COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24|
BDBM159600 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O[Na] |r|
BDBM159601 NC(=O)[C@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O[Na] |r|
BDBM178189 OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:13.15,3.3|
BDBM178205 OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
BDBM178194 COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24|
BDBM178186 O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1 |w:12.13,2.1|
BDBM178145 OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2|
BDBM178163 ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4|
BDBM178165 COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O |r|
BDBM178167 CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
BDBM178169 [N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
BDBM178170 CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(O)=O |r|
BDBM178171 CC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(O)=O |r,w:3.3|
BDBM178180 ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4,2.1|
BDBM178182 C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
BDBM178183 C=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:11.13|
BDBM178184 C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1 |w:6.14|
BDBM178185 O=CC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
BDBM178188 OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:8.16,3.3|
BDBM178191 CC(=O)OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:11.19,6.6|
BDBM178196 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C=O |w:11.12|
BDBM178197 COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O |w:15.17|
BDBM178198 CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C=O |w:18.19,21.22|
BDBM178199 CC(C)(C)C(=O)OCOC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:13.12,28.31|
BDBM178200 OC(=O)C(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:7.15|
BDBM178201 OC(=O)C(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:13.22,5.4|
BDBM178202 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C(O)=O |w:11.12|
BDBM178203 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:11.12,14.15|
BDBM178204 CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:18.19,21.22|
BDBM178207 OCC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
BDBM178208 OCC=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1 |w:2.1|
BDBM178209 CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15|
BDBM178210 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(O)=O |w:11.12|
BDBM178211 CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OC |w:7.15|
BDBM178213 CCCC1(N2[C@@H](CC2=O)OC1=CCO)C([O-])=O |w:11.13|
BDBM178214 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(=O)OC |w:11.12|
BDBM178215 OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:26.36,5.4|
BDBM60600 COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O
BDBM50089385 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1
BDBM50089386 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1
BDBM50089387 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH]1
BDBM50089388 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[nH]1
BDBM50089390 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)[nH]1
BDBM50089391 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
BDBM50089392 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[nH]1
BDBM50089393 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(c2)[N+]([O-])=O)[nH]1
BDBM50089394 OC(=O)CCc1nnc(SCC(=O)Nc2ccccc2)[nH]1
BDBM50089395 OC(=O)CCc1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)[nH]1
BDBM50089396 OC(=O)CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
BDBM197302 OC(=O)c1ccccc1
BDBM50129062 [H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H] |r,t:11|
BDBM50129081 OC(=O)CCCc1c[nH]c2ccccc12
BDBM50089389 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)[nH]1
BDBM50195794 OC(=O)c1cccc(c1)-c1ccncc1
BDBM50195797 OC(=O)c1ccc2ccncc2c1
BDBM50195798 CC(=O)c1cccc(c1)-c1ccncc1
BDBM50212634 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3o1)S2(=O)=O
BDBM50212637 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSC1=NCCS1)S2(=O)=O |t:15|
BDBM50212639 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nccn1C)S2(=O)=O
BDBM50212640 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O
BDBM50212641 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212644 [H][C@]12S[C@@](C)(CSc3nccn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212645 [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50195792 OC(=O)c1cccc(c1)-c1cccnc1
BDBM50195795 Nc1cccnc1-c1cccc(c1)C(O)=O
BDBM50195789 OC(=O)c1cccc(c1)-c1nccs1
BDBM50195790 Cc1cc2ccc(cc2cn1)C(O)=O
BDBM50195791 OC(=O)c1ccc2[nH]ccc2c1
BDBM50212635 [H][C@]12S[C@@](C)(CSc3nnnn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212636 [H][C@]12S[C@@](C)(CSC3=NCCS3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O |t:7|
BDBM50212638 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
BDBM50212642 [H][C@]12S[C@@](C)(CSc3nc4ccccc4o3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212643 [H][C@]12S[C@@](C)(CSc3nc4ccccc4s3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212646 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3[nH]1)S2(=O)=O
BDBM191563 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O |r|
BDBM191564 CC(C)(C)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1 |r|
BDBM50195793 OC(=O)c1cccc(c1)-c1ccccc1
BDBM50195796 OC(=O)c1cc(cc(c1)-c1ccncc1)-c1ccncc1
BDBM50222458 O=C(N1CCS1(=O)=O)c1ccccc1
BDBM50222459 CC(C)C1CN(C(=O)c2ccccc2)S1(=O)=O
BDBM360890 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(F)CNC1
BDBM360932 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CC2CNC1C2
BDBM361165 N[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360900 CCC1(CCNC1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360901 CC1(CCCNC1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360902 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CNC[C@@H]1F |r|
BDBM360903 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@@H]1F |r|
BDBM360904 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM360965 CN(C[C@@H]1CCCN1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360966 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@]1(F)CCCNC1 |r|
BDBM360967 NC(CF)CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360968 NC(CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)C(F)F
BDBM360969 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCCN1 |r|
BDBM361028 C[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361029 C[C@@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361030 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361031 N[C@H](CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O)C(N)=O |r|
BDBM361032 N[C@@H](CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O)C(N)=O |r|
BDBM361110 C[C@@H](CCN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361111 NCCN1CC[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361112 NCC(=O)NC1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r,c:9|
BDBM361113 NCC(=O)NC1CCC[C@H](C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r,w:5.4|
BDBM361114 NC(=O)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361191 NCCNS(=O)(=O)c1ccc(-c2ccc3ncn(CCN)c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361192 NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@@H](N)CO)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361193 NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@H](N)CO)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361194 NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361195 NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361277 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc(c2)-c2c[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361278 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)-c2c[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361279 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361280 NCC(CN)NS(=O)(=O)c1ccc(-c2ccnc(c2)-c2cnc(N)[nH]2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM361281 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(n2)-c2cnc(N)[nH]2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360905 N[C@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360906 N[C@@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360907 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360908 CN(C1CCCNC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360909 CN([C@H]1CCNC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360970 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CCCN1 |r|
BDBM360971 C[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360972 COC(=O)[C@H]1C[C@H](CN1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360973 CN(C)C(=O)c1ccccc1-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360974 NS(=O)(=O)c1c(ccc(-c2cccc3nc(O)[nH]c23)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361033 N[C@@H](CO)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361034 N[C@H](CO)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361035 NC(=N)c1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
BDBM361036 NS(=O)(=O)c1c(ccc(-c2cccc3[nH]cnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361037 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361115 C[C@H](N)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361116 C[C@@H](N)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361117 NCc1nc2cc(ccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361118 NCc1nc2cc(ccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361119 NCc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361196 NCCNS(=O)(=O)c1ccc(-c2cccc(c2)-c2c[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361197 NCCNS(=O)(=O)c1ccc(-c2cccc(SCC(N)CO)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361198 NCCNS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361199 NCCNS(=O)(=O)c1ccc(-c2cccc(SC[C@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361200 NCCNS(=O)(=O)c1ccc(-c2cccc(SC[C@@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361201 NCCNS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361282 Nc1ncc([nH]1)-c1cccc(n1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361283 Nc1ncc([nH]1)-c1cc(ccn1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361284 C[C@H](N)Cc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361285 C[C@H](N)Cc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O |r|
BDBM361286 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)C2CNC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361038 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361039 NCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361040 NS(=O)(=O)c1c(ccc(-c2cccc3[nH]cnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361041 NCCCNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361042 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361120 Nc1cccc(n1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361121 NCc1ncc([nH]1)-c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361122 NCCn1nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N[C@@H]3CCNC3)c2n1 |r|
BDBM361123 CNc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361124 Cn1nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N[C@@H]3CCNC3)c2n1 |r|
BDBM361202 NCCNS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361204 NCCNS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361205 NC[C@H](CO)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361206 NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361207 NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361287 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@@H]2C[C@@H](O)CN2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361288 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)C(F)(F)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361289 NCC(F)(F)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361290 NCCNC(=O)c1cc(Cl)cc(c1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM361291 N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM361043 N[C@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,wU:3.5,wD:1.0,(6.7,-4.83,;5.93,-3.5,;6.33,-2.01,;4.85,-1.61,;4.45,-3.1,;4.08,-.28,;2.54,-.28,;2.54,-1.82,;3.31,1.06,;1,-.28,;.23,-1.61,;-1.31,-1.61,;-2.08,-.28,;-3.62,-.28,;-4.39,1.06,;-5.93,1.06,;-6.7,-.28,;-5.93,-1.61,;-6.41,-3.07,;-5.16,-3.98,;-3.92,-3.07,;-4.39,-1.61,;-1.31,1.06,;-2.08,2.39,;-3.62,2.55,;-3.94,4.06,;-2.6,4.83,;-1.46,3.8,;.25,1.11,;1.02,2.44,;2.36,1.67,;1.79,3.77,;-.31,3.21,)|
BDBM361044 NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM361045 NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM361046 NCCOCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM361047 NCCNC(=O)c1cccc(c1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM361125 NS(=O)(=O)c1c(ccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361126 NCc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361127 Nc1ncc(s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361128 Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12 |r|
BDBM361208 N[C@@H](CO)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361209 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@]1(N)CCNC1 |r|
BDBM361210 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@]1(N)CCNC1 |r|
BDBM361211 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@]1(N)CCNC1 |r|
BDBM361212 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@]1(N)CCNC1 |r|
BDBM361294 NCCNC(=O)c1cc(ccc1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM361295 NCCNS(=O)(=O)c1ccc(-c2ccccc2NC(=O)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361296 NCCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)[C@@H](N)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360910 N[C@H]1CCCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360911 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCCNC1 |r|
BDBM360912 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@@H]2CCN(C2)C(=O)OC(C)(C)C)cc1
BDBM360913 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCCNC1 |r|
BDBM361048 N[C@@H]1CN(CC[C@H]1F)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361049 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1COCCN1
BDBM361050 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1CCN1
BDBM361051 C[C@H](N)CC(=O)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361052 Nc1ncccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1
BDBM361129 Nc1ccc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N[C@@H]3CCNC3)c2n1 |r|
BDBM361130 NS(=O)(=O)c1c(ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361131 Nc1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361133 NCc1csc(Nc2cccc(c2)-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)n1 |r|
BDBM361213 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361214 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361215 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cnc(N)s2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361216 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361217 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361297 NCCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)[C@H](N)CO)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361298 NCCNS(=O)(=O)c1ccc(-c2cccc3NCCCc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361299 NCCNc1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM361300 NCCNc1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCO
BDBM361301 NCCNc1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361302 NCCNc1ncccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361189 NCCNS(=O)(=O)c1ccc(-c2cccc(c2)C(=O)NC[C@H](O)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360338 Nc1nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(N)(=O)=O)c2[nH]1
BDBM360345 Nc1ccc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(N)(=O)=O)c2n1
BDBM360848 Nc1nc2c(cccc2o1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
BDBM360915 N[C@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r,wU:3.5,wD:1.0,(6.24,-6.26,;5.47,-4.93,;5.87,-3.44,;4.38,-3.04,;3.98,-4.53,;3.05,-2.27,;3.05,-.73,;4.38,.04,;4.38,-1.5,;1.72,.04,;.38,-.73,;-.95,.04,;-.95,1.58,;-2.29,2.35,;-2.29,3.89,;-3.62,4.66,;-4.95,3.89,;-4.95,2.35,;-6.1,1.32,;-5.47,-.09,;-6.24,-1.42,;-3.94,.07,;-3.62,1.58,;.38,2.35,;.38,3.89,;1.63,4.8,;1.15,6.26,;-.39,6.26,;-.86,4.8,;1.72,1.58,;3.05,2.35,;4.38,3.12,;4.38,1.58,;3.45,3.84,)|
BDBM360917 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)cc1 |r|
BDBM361053 NCC(CN)NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361054 CC(C)(CN)NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361055 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361056 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361057 N[C@@H](CO)CNS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361058 NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361134 NS(=O)(=O)c1c(ccc(-c2cccn3ccnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361135 NC(=O)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361136 Cn1nnc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361138 CNc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361218 NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361219 NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361220 NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cnc(N)s2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361221 NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361222 NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361303 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccnc2NCCN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361304 NCCNS(=O)(=O)c1ccc(-c2ccnc(CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361305 NCc1nc(c[nH]1)-c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@H]1N |r|
BDBM361306 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361307 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc3[nH]c(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360849 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
BDBM360850 Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(N)(=O)=O)c2nc(N)sc12
BDBM360852 NS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)C(O)=O)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360853 NCCNS(=O)(=O)c1ccc(-c2cccc3cn[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360918 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc1
BDBM360919 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cc1
BDBM360920 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H]2CN(CCN2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
BDBM360921 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H]2CN(CCN2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
BDBM360975 NS(=O)(=O)c1c(ccc(-c2cccc3OC(F)(F)Oc23)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360976 Nc1c(cccc1-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1)C#N |r|
BDBM360977 NS(=O)(=O)c1c(ccc(-c2ccc3nonc3c2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360978 Cn1nnc2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360979 NS(=O)(=O)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360980 CS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361060 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCc1c[nH]cn1
BDBM361061 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCc1ncc[nH]1
BDBM361063 NS(=O)(=O)c1c(ccc(-c2cccnc2N2CCNCC2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1
BDBM361064 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cncc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361139 N[C@H](CO)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361140 N[C@H](CO)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361141 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361143 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361223 NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361224 NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361225 NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2cccc(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361226 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361227 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361308 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc3[nH]c(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361309 NCCNS(=O)(=O)c1ccc(-c2ccc3[nH]c(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361310 CNc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM361311 Cc1cc(cnc1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H](O)CN |r|
BDBM361312 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cnc(N)c(F)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360854 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM360857 NCCNS(=O)(=O)c1ccc(-c2cccc3oc(nc23)C(O)=O)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360858 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CCS(=O)(=O)CC1
BDBM360922 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1
BDBM360923 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)cc1
BDBM360924 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CO)NC(=O)OCc2ccccc2)cc1 |r|
BDBM360925 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 |r|
BDBM360981 NC(=O)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360982 NS(=O)(=O)c1c(ccc(-c2ccc3CNC(=O)c3c2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360983 NS(=O)(=O)c1c(ccc(-c2cccc3cn[nH]c23)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360984 NS(=O)(=O)c1c(ccc(-c2cnc3ccccn23)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360985 C[C@H]1NC(=O)O[C@H]1c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361065 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccncc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361066 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2cnccc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361067 NCCNS(=O)(=O)c1ccc(-c2cccc(c2)-c2nc[nH]n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361068 NS(=O)(=O)c1c(ccc(-c2cccc(c2)-c2nc[nH]n2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1
BDBM361069 N[C@@H](CO)CNS(=O)(=O)c1ccc(-c2cccc(c2)C2N=CN=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,c:21,23|
BDBM361144 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361145 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM361146 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361147 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361148 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361228 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361229 NCC(CN)NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361313 NS(=O)(=O)c1c(ccc(-c2cccc(Nc3nc(CO)cs3)c2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361315 NS(=O)(=O)c1c(ccc(-c2cccc(Nc3ncc[nH]3)c2)c1-c1nn[nH]n1)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361316 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361317 NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3[nH]c(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360859 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCCN1CCNC(=O)C1
BDBM360860 CN(C)CC(F)(F)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360861 CN1CCOC(CNS(=O)(=O)c2ccc(-c3cccc4sc(N)nc34)c(-c3nnn[nH]3)c2S(N)(=O)=O)C1
BDBM360862 CN1CCCC(C1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360863 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1CCC(=O)N1
BDBM360928 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1
BDBM360986 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
BDBM360987 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
BDBM360988 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCO
BDBM360989 NCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360990 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CNC1
BDBM360991 NC1CN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361070 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)-c2nc[nH]n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361071 NCCNS(=O)(=O)c1ccc(-c2cccc(c2)-c2n[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361072 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(c2)C2N=NC(N)=N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |c:21,24|
BDBM361073 NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc(c2)-c2n[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361074 Nc1nc(n[nH]1)-c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1
BDBM361149 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361150 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361151 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H](O)CN |r|
BDBM361152 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361153 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r|
BDBM361236 C[C@H](CN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361237 C[C@@H](CN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361238 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3n(C)c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361318 NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361319 NCCNS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361320 Cc1cc(cnc1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM361321 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cnc(N)c(F)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361322 C[C@H](N)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361323 C[C@@H](N)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360864 Cn1cnc(CNS(=O)(=O)c2ccc(-c3cccc4sc(N)nc34)c(-c3nnn[nH]3)c2S(N)(=O)=O)n1
BDBM360865 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCCN1CCC1
BDBM360866 CN(C)CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360867 CNC(=O)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360868 COCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360869 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCC(CO)CC1
BDBM360930 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CCNCC1
BDBM360931 CC(C)(N)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360934 NCCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360992 NC1CCN(CC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360993 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(N)CC1
BDBM360994 CN(C)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360995 CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360996 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC(O)=O
BDBM360997 N[C@H](CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O)C(O)=O |r|
BDBM361075 CN1CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361076 C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361077 Nc1nc2c(cc(I)cc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361078 NS(=O)(=O)c1c(ccc(-c2cccc3[nH]nnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361079 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361155 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r|
BDBM361156 Nc1ncccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r|
BDBM361157 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CNCCN1 |r|
BDBM361158 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CNCCN1 |r|
BDBM361239 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361240 C[C@@H](CN)NS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361241 C[C@@H](CN)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361242 Nc1nc2c(cc(F)cc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361243 NCCNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361324 NS(=O)(=O)c1c(ccc(-c2cccc3[nH]cnc23)c1-c1nn[nH]n1)S(=O)(=O)NC[C@H]1CNCCN1 |r|
BDBM361325 NCCNCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361326 N[C@H]1CC(C1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,wU:1.0,(7.92,1.2,;6.83,.11,;6.83,-1.43,;5.29,-1.43,;5.29,.11,;4.2,-2.52,;2.86,-1.75,;2.86,-.21,;2.86,-3.29,;1.32,-1.75,;.55,-3.08,;-.99,-3.08,;-1.76,-1.75,;-3.3,-1.75,;-4.07,-3.08,;-5.61,-3.08,;-6.38,-1.75,;-7.92,-1.75,;-5.61,-.41,;-4.07,-.41,;-.99,-.41,;-1.76,.92,;-3.3,.92,;-3.77,2.38,;-2.53,3.29,;-1.28,2.38,;.58,-.37,;1.35,.97,;2.86,.65,;2.12,2.3,;.02,1.74,)|
BDBM361327 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1CCNC1
BDBM361328 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
BDBM360870 CN(C)C1CCN(CC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360871 CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360872 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCNC(=O)C1
BDBM360873 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCOCC1
BDBM360874 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCCC1CNC1
BDBM360936 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCN(CCO)CC1
BDBM361329 NC[C@]1(CCNC1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360939 NC1CC2OC1CCC2NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360998 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(N)(=O)=O
BDBM360999 CS(=O)(=O)Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
BDBM361000 Nc1nc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N3CCNCC3)c2[nH]1
BDBM361001 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
BDBM361002 Nc1nc2c(cccc2o1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N1CCNCC1
BDBM361080 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361081 NS(=O)(=O)c1c(ccc(-c2cccc3nonc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361082 NCCNS(=O)(=O)c1ccc(-c2cccc3nonc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361083 N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361084 N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361159 Nc1ncccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CNCCN1 |r|
BDBM361160 C[C@H](CN)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361161 C[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361162 N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361163 N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361164 N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2cnc(N)s2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361244 NCCNS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361245 NCCCNS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361246 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361247 NCC(CN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361248 NCC(CN)NS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361331 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCCN1 |r|
BDBM361332 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CCCN1 |r|
BDBM361333 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCCNC1 |r|
BDBM361334 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCNC1 |r|
BDBM360875 CNCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360876 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CCNCC1
BDBM360877 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCCN1CCCCC1=O
BDBM360878 COc1ccnc(CNS(=O)(=O)c2ccc(-c3cccc4sc(N)nc34)c(-c3nnn[nH]3)c2S(N)(=O)=O)n1
BDBM360879 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CCc2nccn2C1
BDBM360940 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1COCCN1
BDBM360941 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CN2CCC1CC2 |(-6.65,-1.33,;-5.88,-0,;-4.34,.16,;-4.02,1.67,;-2.69,2.44,;-2.69,3.98,;-4.02,4.75,;-5.36,3.98,;-5.36,2.44,;-6.5,1.41,;-1.36,1.67,;-1.36,.13,;-.02,-.64,;1.31,.13,;1.31,1.67,;-.02,2.44,;-.02,3.98,;1.22,4.88,;.75,6.35,;-.79,6.35,;-1.27,4.88,;2.64,2.44,;3.98,3.21,;3.98,1.67,;3.04,3.92,;2.64,-.64,;3.98,-1.41,;3.98,.13,;2.64,-2.18,;3.98,-2.95,;3.98,-4.49,;5.31,-5.26,;6.65,-4.49,;6.65,-2.95,;5.31,-2.18,;6.01,-3.4,;4.82,-4.09,)|
BDBM360943 N[C@H](NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)c1ccccn1 |r|
BDBM360944 CN(CCc1ccncc1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM361003 NS(=O)(=O)c1c(ccc(-c2cccc3cn[nH]c23)c1-c1nnn[nH]1)S(=O)(=O)N1CCNCC1
BDBM361004 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CCNC1
BDBM361005 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361006 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM361007 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361085 CNc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361086 CNc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM361087 CN([C@H]1CCNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361089 NCCN1CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361166 N[C@H](CO)c1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@H]1N |r|
BDBM361167 N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361168 N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cnc(N)s2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361169 N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361249 NCC(CN)NS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361250 NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]nnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361251 NC[C@H](CO)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361252 NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361253 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@H]1O |r|
BDBM361254 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CN[C@H](CO)C1 |r|
BDBM361335 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CCNCC1
BDBM361336 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CNC1
BDBM361337 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCCNC1 |r|
BDBM361338 Nc1ccc(cn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CNC1
BDBM361339 NCCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361340 CC1(CNC1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360880 CN(C)C(=O)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360881 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1
BDBM360882 CN1CC2(C1)CCN(C2)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360883 CN(C)C1CN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360884 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CC2CC1CS2(=O)=O |TLB:25:28:33.34:31|
BDBM360945 CC1(CN)CN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360946 CN1CCC(CNS(=O)(=O)c2ccc(-c3cccc4sc(N)nc34)c(-c3nnn[nH]3)c2S(N)(=O)=O)C1
BDBM360947 N[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360948 NCC1CN(CCO1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360949 CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM361008 NC1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(N)(=O)=O |(-5.95,-2.93,;-4.46,-2.53,;-4.06,-1.04,;-2.58,-.64,;-1.49,-1.73,;-1.89,-3.22,;-3.37,-3.62,;,-1.33,;1.09,-2.42,;2.58,-2.02,;3.03,-.52,;1.89,.56,;.4,.16,;-.69,1.25,;-2.23,1.25,;-2.71,2.71,;-1.46,3.62,;-.21,2.71,;2.28,2.04,;3.62,2.81,;2.28,3.58,;3.77,1.64,;4.52,-.12,;4.6,1.42,;6,.28,;4.91,-1.61,)|
BDBM361010 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[n-]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CC[N+](C)(C)C1
BDBM361011 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@H]1O |r|
BDBM361012 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CNC[C@@H]1O |r|
BDBM361090 NCC(CO)(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361091 C[N]1(CCN)CC[C@@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361093 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@]1(N)CCNC1 |r|
BDBM361094 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@]1(N)CCNC1 |r|
BDBM361170 N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccc(c2)-c2c[nH]c(N)n2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361171 N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccn3ccnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361172 Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)NCCN)c2nc(N)[nH]c12
BDBM361173 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@H](N)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361174 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@@H](N)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361255 NS(=O)(=O)c1c(ccc(-c2cccc3[nH]nnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CNC[C@@H]1O |r|
BDBM361256 N[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361258 NC[C@H](N)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361259 NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361341 C[C@H](CCN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361342 C[C@@H](CCN)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360885 CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360886 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CC(F)(F)C1
BDBM360887 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCC(F)(F)C1
BDBM360888 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCS(=O)CC1
BDBM360889 CS(=O)(=O)C1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360950 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCc1ccccn1
BDBM360951 CN(C1CN(C)C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360952 CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM360953 CC(N)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360954 NCC1CCCCN1S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM361013 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CNC[C@@H]1O |r|
BDBM361014 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CNC[C@H]1O |r|
BDBM361015 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CN[C@H](CO)C1 |r|
BDBM361016 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CN[C@@H](CO)C1 |r|
BDBM361017 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CN[C@@H](CO)C1 |r|
BDBM361095 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CNC1
BDBM361096 NC[C@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361097 NC[C@@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361098 CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361099 CN1CC(C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361175 NCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)NC[C@@H](N)CO)c2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361176 NCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)NC[C@H](N)CO)c2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361177 NCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM361178 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@H](N)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361179 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(nc23)[C@@H](N)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361261 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361262 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361263 NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361264 C[C@H](N)CNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361265 C[C@@H](N)CNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361266 C[C@@H](N)CNS(=O)(=O)c1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM360891 NCC(F)(F)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360892 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CC2(C1)CCNC2
BDBM360893 NC(CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)C(F)(F)F
BDBM360894 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@@H]12 |r|
BDBM360955 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1C2CNCC12
BDBM360956 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1CNCCO1
BDBM360957 NC1C2CN(CC12)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360958 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(N)CCOC1
BDBM360959 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(N)CCOCC1
BDBM361018 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CN[C@H](CO)C1 |r|
BDBM361019 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@]1(CO)CCNC1 |r|
BDBM361020 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@]1(CO)CCNC1 |r|
BDBM361021 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCCNC1 |r|
BDBM361022 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCCNC1 |r|
BDBM361100 CC1(CNC1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361101 NCCCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361102 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CCNC1 |r|
BDBM361103 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC1CCNCC1
BDBM361104 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H]1CCCN1 |r|
BDBM361180 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(CCN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361181 NCCNS(=O)(=O)c1ccc(C2=CC(N)CCC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |t:11|
BDBM361183 N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5|
BDBM361184 NCCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN
BDBM361185 NCCNS(=O)(=O)c1ccc(C2CCC[C@H](N)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361268 NC[C@@H]1C[C@H](CN1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361269 NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM361270 NC[C@H](CO)NS(=O)(=O)c1ccc(-c2cccc3nc(N)[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361271 Nc1nc(c[nH]1)-c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM360895 CC(CN1CCOCC1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360896 CN(C)CCCN(C)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360897 CN1CCC(C1)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360898 CN(C1CCN(C)C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360899 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N1CCC(N)(CO)C1
BDBM360960 CC(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360961 CC(C)(CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM360962 NC(CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)C(F)F
BDBM360963 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1C[C@@H]2CN[C@H]1C2 |r|
BDBM360964 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1CCNC1
BDBM361023 NCCNS(=O)(=O)c1ccc(-c2cc(F)cc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM361024 Nc1nc2c(cc(F)cc2[nH]1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361025 NCCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361026 Cn1c(N)nc2c(cccc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCCN
BDBM361027 C[C@H](N)CNS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361105 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCCN1 |r|
BDBM361106 Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CCNC1 |r|
BDBM361108 CC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361109 C[C@H](CCN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361186 NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361187 NCCNS(=O)(=O)c1ccc(-c2cccc(c2)C(=O)N[C@@H]2CNC[C@H]2O)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM361188 NCCNS(=O)(=O)c1ccc(-c2cccc3sc(CN)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360363 NS(=O)(=O)c1ccc(-c2cccc3cn[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM360914 NC[C@@H]1CCN(C1)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM361272 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361273 NCC(CN)NS(=O)(=O)c1ccc(-c2cccc3ccc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM361274 CCOC(=O)c1sc(N)nc1-c1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC(CN)CN
BDBM361275 NCc1sc(N)nc1-c1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM361276 NCCNCc1sc(N)nc1-c1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM367839 Nc1c(cccc1B(O)O)C#N
BDBM367841 OB(O)c1cccc2[nH]cnc12
BDBM50274047 OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1
BDBM50469660 CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
BDBM50469661 CCCCCCCCCCc1cccc(OC)c1C(O)=O
BDBM50469662 CCCCCCCCCCCCCCCc1cccc(O)c1O
BDBM50469663 CCCCCCCCCCc1cccc(O)c1O
BDBM50469664 CCCCCCCCCCc1cccc(O)c1
BDBM50469665 CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
BDBM50469666 CCCCCCCCc1cccc(O)c1C(O)=O
BDBM50469667 CCCCCCCCCCc1cccc(O)c1C(O)=O
BDBM50469656 CC(C)CCCCCCCCCCCCCc1cccc(O)c1C(O)=O
BDBM50469657 CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
BDBM50469658 CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O
BDBM50469659 CCCCCCCCCCc1ccccc1C(O)=O
BDBM50486723 [H][C@]12SC=C(N1C(=O)\C2=C\c1cc2CCSCn2n1)C(O)=O |r,c:3|
BDBM50486724 [H][C@]12SC=C(N1C(=O)\C2=C\c1cc2CSCn2n1)C(O)=O |r,c:3|
BDBM50486725 [Na;v0+].[#6][C@]1([#6]-[#8]-[#6](=O)-[#6]-c2ccc(-[#8])c(-[#8])c2)[#6@@H](-[#7]-2-[#6@@H](\[#6](=[#6]/c3ccccn3)-[#6]-2=O)S1(=O)=O)-[#6](-[#8-])=O |r|
BDBM361314 NC(=O)c1csc(Nc2cccc(c2)-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)n1 |r|
BDBM427277 Nc1cncc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM427052 CNS(=O)(=O)c1ccc(-c2cccc3cn[nH]c23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM427137 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@H]2CN(C[C@@H]2NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 |r|
BDBM427138 COc1ccc(CN(Cc2ccc(OC)cc2)S(=C)(=C)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@H](CO)CNC(=O)OCc2ccccc2)cc1 |r|
BDBM427141 COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 |r|
BDBM427151 CNCCCN(C)S(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM427409 C[N]1(C)CC(C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |(5.22,-2.8,;3.73,-2.4,;4.82,-1.31,;2.4,-3.17,;1.63,-1.84,;2.96,-1.07,;.14,-1.44,;-.26,.05,;.14,1.54,;1.23,.45,;-1.8,.05,;-2.57,-1.28,;-4.11,-1.28,;-4.88,.05,;-6.42,.05,;-7.19,1.38,;-8.73,1.38,;-9.5,.05,;-8.73,-1.28,;-9.2,-2.75,;-7.96,-3.65,;-7.96,-5.19,;-6.71,-2.75,;-7.19,-1.28,;-4.11,1.38,;-4.88,2.72,;-6.38,3.04,;-6.55,4.57,;-5.14,5.19,;-4.11,4.05,;-2.57,1.38,;-1.8,2.72,;-.26,2.72,;-2.57,4.05,;-1.03,4.05,)|
BDBM427412 C[N]1(CCN)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM427428 CC[C@@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM427453 NCCn1nnc2c(ccnc12)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM427458 Nc1nc(c[nH]1)-c1cc(ccn1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H]1CCNC1 |r|
BDBM427475 NCc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r|
BDBM427524 NCCNS(=O)(=O)c1ccc(-c2cccc3ncccc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM427551 Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CNC1
BDBM427552 N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM427553 C[C@@H](CN)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM427554 C[C@@H](N)CNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM427555 C[N+](C)(C)CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM427556 C[N+](C)(C)CCCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM427578 N[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM427581 NC[C@H](O)CNS(=O)(=O)c1ccc(-c2ccnc(N)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM427613 CN(CCN)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM427614 NCCNC(=O)c1cc(Cl)cc(c1N)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM427650 NC[C@@]1(CCNC1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM427664 NCCN1CCC(C1)NS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM428643 CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM427274 N[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(-c2cccnc2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM50537173 O=C(NOC(=O)Oc1ccccc1)OCc1ccccc1
BDBM50537174 O=C(NOC(=O)Oc1ccccc1)OCCc1ccccc1
BDBM50537175 N[C@H](Cc1ccc(OC(=O)NOC(=O)Oc2ccccc2)cc1)C(O)=O |r|
BDBM50537176 N[C@H](CCCOC(=O)NOC(=O)Oc1ccccc1)C(O)=O |r|
BDBM50537177 CCCCOC(=O)NOC(=O)Oc1ccccc1
BDBM50537178 OC(=O)CCCCOC(=O)NOC(=O)Oc1ccccc1
BDBM50537179 OC(=O)C(F)(F)F.NC(=O)CCCCOC(=O)NOC(=O)Oc1ccccc1
BDBM50505403 NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O |r|
BDBM466964 CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466965 CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O |r,t:1|
BDBM466966 CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1|
BDBM466967 CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O |r,t:1|
BDBM466968 CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OCC(O)=O |r,t:1|
BDBM466969 CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(C)(F)C(O)=O |r,t:1|
BDBM466970 CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O |r,c:11|
BDBM466971 CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2OC(F)C(O)=O |r,t:1|
BDBM466972 CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O |r,t:1|
BDBM466973 CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O |r,t:1|
BDBM466974 NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O |r,c:7|
BDBM466975 NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O |r,c:7|
BDBM466977 CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1|
BDBM466978 CC1=C[C@@H]2CN([C@@H]1C(=O)NOCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466979 CC1=C[C@@H]2CN([C@@H]1C(=O)NCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466980 CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCCN1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466981 CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CC(F)(F)CN1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466982 CC1=C[C@@H]2CN([C@@H]1C(=O)NC1COC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466983 CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466984 CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1ncco1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466985 CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466986 CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466987 CC1=C[C@@H]2CN([C@@H]1C(=O)NCCC(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466988 CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466989 CC1=C[C@@H]2CN([C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466990 CC1=C[C@@H]2CN([C@@H]1C(=O)NCCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466991 CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466992 CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466993 CC1=C[C@@H]2CN([C@@H]1CN)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466994 CC(=O)NC[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O |r,c:9|
BDBM466995 CC1=C[C@@H]2CN([C@@H]1CNC(=O)C(F)(F)F)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466996 CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466997 CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM466998 CC(=O)NCNC(=O)[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O |r,c:12|
BDBM466999 CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1|
BDBM467000 CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O |r,t:1|
BDBM467001 CC1=C[C@H](N2C[C@@H]1N(OCC(O)=O)C2=O)C(N)=O |r,t:1|
BDBM467002 CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O |r,t:1|
BDBM467003 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@H](F)C(O)=O |r|
BDBM467004 OC(=O)C(F)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O |r|
BDBM530966 NS(=O)(=O)c1c(ccc(N2CCN(CCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530899 NS(=O)(=O)c1c(ccc(N2CCC(O)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
BDBM530900 NC1CCCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
BDBM530901 NC1CCCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
BDBM530902 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530903 NCCNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM530904 C[C@H](CN)NS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530995 NS(=O)(=O)c1c(ccc(N2CCNC(CO)CC2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530996 NC[C@@H](O)CS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530997 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN3CCOCC3C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530998 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC[C@H](C2)NCCO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531049 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)C(N)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531000 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)C(O)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530999 NCCNS(=O)(=O)C1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530905 NC[C@H](O)CNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530906 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC[C@@H](CN)C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530907 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC[C@H](CN)C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530908 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CCCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530909 NCCNS(=O)(=O)c1ccc(N2CCN(CCCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM530910 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM531001 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3(CCNC3)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531002 NS(=O)(=O)c1ccc(N2CCC3(CCNCC3)C2=O)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM531003 NCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531004 CN(CCO)CCN(C)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531005 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CC([O-])=O)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM531006 CC1(CN)CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530911 NCCNS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM530912 NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530913 NCC(CN)NS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM530914 C[C@H](CN)NS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530915 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530916 NCCNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM531007 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531008 NCCC1CCCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531009 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3CNCC3C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM531010 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)NCCO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531011 NC[C@@H](O)CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H](N)C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r,wU:14.13,16.16,2.2,(7.47,-.24,;5.93,-.24,;5.16,-1.58,;5.93,-2.91,;3.62,-1.58,;2.85,-.24,;1.31,-.24,;1.31,1.3,;1.31,-1.78,;-.23,-.24,;-1,-1.58,;-2.54,-1.58,;-3.31,-.24,;-4.85,-.24,;-5.62,-1.58,;-7.1,-1.97,;-6.7,-3.46,;-7.47,-4.8,;-5.22,-3.06,;-2.54,1.09,;-3.31,2.43,;-4.85,2.43,;-5.32,3.89,;-4.08,4.8,;-2.83,3.89,;-.97,1.14,;-.2,2.47,;1.31,2.15,;.57,3.81,;-1.53,3.24,)|
BDBM530917 NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM530918 CC(N)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530919 NCCN1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530920 NS(=O)(=O)c1c(ccc(N2CCC3(CNC3)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530921 NS(=O)(=O)c1c(ccc(N2CCN(CCCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
BDBM530922 NS(=O)(=O)c1c(ccc(N2CCN(CCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
BDBM531012 NCCC1CN(C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531013 NCCC(=O)N1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531014 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CCO)C(=O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531015 NCCN1CCN(CC1=O)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531016 NS(=O)(=O)c1c(ccc(N2CCCC(O)C2=O)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531017 NCC1CCN(C(=O)C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530923 NS(=O)(=O)c1c(ccc(N2C[C@H](O)C[C@@H](O)C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1 |r|
BDBM530924 NS(=O)(=O)c1c(ccc(N2CCC(CCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
BDBM530925 NS(=O)(=O)c1c(ccc(N2CCCC(CO)C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
BDBM530926 NS(=O)(=O)c1c(ccc(N2CCC(CO)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
BDBM530927 CC1(O)CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1
BDBM530928 NS(=O)(=O)c1c(ccc(N2CCC[C@H](O)C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1 |r|
BDBM531018 NOC1CCCN(C1=O)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531019 NS(=O)(=O)c1c(ccc(N2CCCC(=O)C2=O)c1[N]1=NNN=N1)S(=O)(=O)N[C@@H]1CCNC1 |r,c:23,t:20|
BDBM531020 NS(=O)(=O)c1c(ccc(N2CCC\C(=N\O)C2=O)c1[N]1=NNN=N1)S(=O)(=O)N[C@@H]1CCNC1 |r,c:24,t:21|
BDBM531021 NS(=O)(=O)c1c(ccc(N2CCCNC2=O)c1[N]1=NNN=N1)S(=O)(=O)N[C@@H]1CCNC1 |r,c:22,t:19|
BDBM531022 NS(=O)(=O)c1c(ccc(N2CCCCC2=O)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531023 N[C@@H]1CCCN(C1=O)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530929 NS(=O)(=O)c1c(ccc(N2CC[C@H](CO)[C@H](F)C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1 |r|
BDBM530930 NS(=O)(=O)c1c(ccc(N2CC3C(CO)C3C2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
BDBM530931 NS(=O)(=O)c1c(ccc(N2CCC(O)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530932 NS(=O)(=O)c1c(ccc(NCCN2CCOCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530933 CN1CCN(CC1=O)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530934 NS(=O)(=O)c1c(ccc(NC2CCOCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531024 N[C@H]1CCCN(C1=O)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531025 NS(=O)(=O)c1c(ccc(N2CCC(CO)CC2=O)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531026 NC1CCN(C(=O)C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531027 NS(=O)(=O)c1c(ccc(N2CCC(O)CC2=O)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531028 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CC2)C(CO)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531029 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2C[C@@H]3CNC[C@@H]3C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530935 CN(C)[C@H]1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530936 CN(C)[C@@H]1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530937 NS(=O)(=O)c1c(ccc(N2CCCN(CCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530938 NS(=O)(=O)c1c(ccc(N2CC[C@@H](CO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530939 CC1(O)CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530940 C[N+](C)(C)CCCCNc1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531030 NS(=O)(=O)c1c(ccc(N2CCN(CCO)CC2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531031 NCC1CCN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531032 COC(=O)C1CCN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531033 NC(=O)C1CCN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531034 NS(=O)(=O)c1c(ccc(N2CCC(CC2)c2c[nH]cn2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530941 NC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530942 CNCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530943 NS(=O)(=O)c1c(ccc(NCCN2CCNCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530944 NCCN1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530945 NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530946 NC[C@@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531035 NCCNS(=O)(=O)C1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531036 NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCC(CC2)c2c[nH]cn2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531037 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)c2c[nH]cn2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM531038 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC=C(CN)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,t:15|
BDBM531039 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3(CNC(N)=N3)CC2)c(c1S(N)(=O)=O)[N]1=NNN=N1 |r,c:20,36,t:33|
BDBM530947 NS(=O)(=O)c1c(ccc(N2CCNCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530948 NS(=O)(=O)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530949 NS(=O)(=O)c1c(ccc(N2CCC(CCO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530950 NC[C@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530951 CC(=O)N[C@H]1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530952 NC1(CO)CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531040 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC3CCC(C2)C3CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,TLB:21:20:19.13.14:16.17|
BDBM531041 CC1(C)CN(CCN1CCO)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531042 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)n2ccnc2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r|
BDBM531043 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CN)=CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r,c:18|
BDBM531044 CC1CN(CCN1CCO)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531045 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)C2COC(=O)N2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530953 NCC1(O)CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530954 N[C@@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530955 NS(=O)(=O)c1c(ccc(N2CCC(CCF)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530956 NS(=O)(=O)c1c(ccc(N2CCC(CC2)OCCO)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530957 NS(=O)(=O)c1c(ccc(N2CCC(CF)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530958 NS(=O)(=O)c1c(ccc(N2CCC(CC2)C(F)F)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531046 NC[C@@H](O)CNS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531047 NC[C@@H](O)CNS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2N)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531048 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)[C@@H](N)CO)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531051 NS(=O)(=O)c1c(ccc(NCC2CCNCC2)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530700 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531073 NC\C=C1/CCCN(C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530959 NS(=O)(=O)c1c(ccc(N2CCC(F)(CO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530960 NC(=O)C1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530961 NS(=O)(=O)c1c(ccc(N2CCN(CCCO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530962 NC(=O)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530963 CC(=O)N[C@@H]1CCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530964 NS(=O)(=O)c1c(ccc(N2CC[C@H](CO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531052 NC[C@@H](O)CNS(=O)(=O)c1ccc(NC2CCC(N)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531053 C[C@H](CN)NS(=O)(=O)c1ccc(N2CCC(CCN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531054 NC[C@H](CO)NS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531055 NCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H](CN)CO |r|
BDBM531056 NCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H](CN)CO |r|
BDBM531057 NC[C@@H](CO)NS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530709 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530870 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(F)(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530871 CC1CC(CN)CCN1c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530872 C[C@H](CN)NS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530873 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](CN)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530874 NC[C@@H]1CCN(C[C@@H]1F)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530965 NS(=O)(=O)c1c(ccc(N2CC[C@H](O)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530967 NS(=O)(=O)c1c(ccc(N2CC[C@@H](O)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530968 CN(C)CC1(O)CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530969 NS(=O)(=O)c1c(ccc(N2CCC(CO)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531059 NS(=O)(=O)c1c(ccc(N2CCNC2=S)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531060 NC[C@@H](O)CNS(=O)(=O)c1ccc(NC2CC(N)C2)c(-c2nnn[nH]2)c1S(N)(=O)=O |r,wU:2.2,(7.47,-.28,;5.93,-.28,;5.16,-1.61,;5.93,-2.94,;3.62,-1.61,;2.85,-.28,;1.31,-.28,;1.31,-1.82,;1.31,1.26,;-.23,-.28,;-1,-1.61,;-2.54,-1.61,;-3.31,-.28,;-4.85,-.28,;-5.62,-1.61,;-7.1,-2.01,;-6.7,-3.5,;-7.47,-4.83,;-5.22,-3.1,;-2.54,1.06,;-3.31,2.39,;-4.84,2.55,;-5.16,4.06,;-3.82,4.83,;-2.68,3.8,;-.97,1.11,;-.2,2.44,;.57,3.77,;-1.53,3.21,;1.31,2.12,)|
BDBM531061 NCCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531062 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530875 C[C@H](CN)NS(=O)(=O)c1ccc(N2CC[C@@H](CN)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530876 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)[C@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530877 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)[C@@H](O)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530878 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2C[C@H]3[C@H](CN)[C@H]3C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530879 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3(CC3N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530880 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)[C@@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530971 NS(=O)(=O)c1c(ccc(N2CCOC(CO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530972 NS(=O)(=O)c1c(ccc(N2CCCCC(O)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530973 NS(=O)(=O)c1c(ccc(N2CCOC(CCO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530974 NS(=O)(=O)c1c(ccc(N2CCC(Cc3ccccn3)CC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530975 NS(=O)(=O)c1c(ccc(N2CCCC(CO)C2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530976 NS(=O)(=O)c1c(ccc(N2CCCC(C2)C(=O)NCCCO)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531063 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531064 NC(=O)[C@@H]1CN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531065 NC(=O)[C@H]1CN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531066 N[C@@H]1CCN(C[C@@H]1F)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531067 N[C@H]1CCN(C[C@H]1F)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531068 NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530881 NCCS(=O)(=O)c1ccc(N2CCCCC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM530882 NCCS(=O)(=O)c1ccc(N2CCOCC2)c(-c2nnn[nH]2)c1S(N)(=O)=O
BDBM530884 NCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530885 NCCNS(=O)(=O)c1ccc(N2CCC(O)(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
BDBM530886 C[C@@H](CN)NS(=O)(=O)c1ccc(N2CCC(O)(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530887 COC1(CO)CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@H](C)CN |r|
BDBM530977 NS(=O)(=O)c1c(ccc(N2CCN(CC2)C(=O)CO)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530978 NS(=O)(=O)c1c(ccc(N2CCC(CC2)Oc2ccccn2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530979 NS(=O)(=O)c1c(ccc(N2CC(C2)N2CCOCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530980 NS(=O)(=O)c1c(ccc(N2CC(C2)N2CCCCC2)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530981 NS(=O)(=O)c1c(ccc(N2CC3(C2)CCNCC3)c1-c1nnn[nH]1)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530982 CN(C)C1(C)CN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM531069 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC2)c2ncc[nH]2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531070 NCCNS(=O)(=O)C1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H](CN)CO |r|
BDBM531071 NC[C@@H](O)CNS(=O)(=O)c1ccc(Nc2ncc[nH]2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531072 NCC=C1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r,wU:29.32,(-9.62,-2.55,;-8.08,-2.55,;-7.31,-1.22,;-5.77,-1.22,;-5,.11,;-3.46,.11,;-2.7,-1.22,;-3.46,-2.55,;-5,-2.55,;-1.15,-1.22,;-.38,-2.55,;1.15,-2.55,;1.92,-1.22,;1.15,.11,;-.38,.11,;-1.15,1.45,;-.53,2.86,;-1.67,3.89,;-3.01,3.12,;-2.69,1.61,;1.92,1.45,;2.7,2.78,;.59,2.22,;3.41,1.05,;3.46,-1.22,;3.46,-2.76,;3.46,.32,;5,-1.22,;5.77,-2.55,;7.31,-2.55,;8.08,-3.89,;8.08,-1.22,;9.62,-1.22,)|
BDBM530888 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530889 COC1(CO)CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530890 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(F)(CO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530891 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCCN(CCO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530892 NCCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530983 CN1CCOC2(CN(C2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)C1 |r|
BDBM530984 COC1(CN(C)C)CN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
BDBM530985 CS(=O)(=O)CCN1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530986 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(C2)C(N)=O)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530987 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCN(CC2)C(=O)CN)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530988 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM531076 NCCOCC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM531077 NCCOC1CCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN |r|
BDBM530893 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CC(N)=O)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530894 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC3(CC2)CNC(=O)OC3)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530895 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CCn3cccn3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530896 N[C@@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1 |r|
BDBM530897 N[C@H]1CCCN(C1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)C1CNC1 |r|
BDBM530898 NS(=O)(=O)c1c(ccc(N2CCC3(CCNCC3)CC2)c1-c1nnn[nH]1)S(=O)(=O)C1CNC1
BDBM530989 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](CN)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530990 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCNC(CO)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530991 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CNCCO)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530992 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530993 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM530994 NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](N)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
BDBM14672 OC(=O)CC(O)(CC(O)=O)C(O)=O