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111 SMILES Strings for Beta-lactamase (KPC-2)

Compound NameSMILES String
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|
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|
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|
BDBM98785 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccc3NCCc3c2)C1=O |r|