smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000762715210 583250469 /nfs/dbraw/zinc/25/04/69/583250469.db2.gz ASOLLIHOUFWJCR-CQSZACIVSA-N 1 0 343.405 -0.440 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)COCC[NH3+])CC2)cc1 ZINC000829504220 583953865 /nfs/dbraw/zinc/95/38/65/583953865.db2.gz BXFVGMFWMMINOU-UHFFFAOYSA-N 1 0 336.436 -0.091 20 10 EBCDRO CCS(=O)(=O)NCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280182 583997126 /nfs/dbraw/zinc/99/71/26/583997126.db2.gz NTUISKDXRREPQO-ZDUSSCGKSA-N 1 0 328.438 -0.192 20 10 EBCDRO O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)NC1C[NH2+]C1 ZINC000842216695 584060617 /nfs/dbraw/zinc/06/06/17/584060617.db2.gz NELKRCYHCNBWQY-UHFFFAOYSA-N 1 0 334.445 -0.056 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCN(C)S2(=O)=O)cc1 ZINC000843298821 584075343 /nfs/dbraw/zinc/07/53/43/584075343.db2.gz QGNNBQWQORIMFY-UONOGXRCSA-N 1 0 340.449 -0.098 20 10 EBCDRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490028 811124954 /nfs/dbraw/zinc/12/49/54/811124954.db2.gz PRDHNQIFWWVVHV-NSHDSACASA-N 1 0 337.376 -0.114 20 10 EBCDRO CC(=O)N1CC(=O)NC[C@]12CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233013880 812310780 /nfs/dbraw/zinc/31/07/80/812310780.db2.gz USKZJGJVDSLEDD-INIZCTEOSA-N 1 0 335.360 -0.274 20 10 EBCDRO [NH3+]CCN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)N(O)N=O ZINC001179691627 833000891 /nfs/dbraw/zinc/00/08/91/833000891.db2.gz YGAJHHDYIYSUSF-DUXPYHPUSA-N 1 0 325.325 -0.225 20 10 EBCDRO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001119359875 827102028 /nfs/dbraw/zinc/10/20/28/827102028.db2.gz DWYNSLWQAZQPOJ-GASCZTMLSA-N 1 0 346.431 -0.007 20 10 EBCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cc1 ZINC001153037525 831203348 /nfs/dbraw/zinc/20/33/48/831203348.db2.gz PICHYBHCUMBVMH-UHFFFAOYSA-N 1 0 335.324 -0.637 20 10 EBCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)cc1 ZINC001153047728 831203479 /nfs/dbraw/zinc/20/34/79/831203479.db2.gz KJCRCTRTBUWADN-NSHDSACASA-N 1 0 346.347 -0.026 20 10 EBCDRO Cn1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(=O)n(C)c1=O ZINC001167434899 832339452 /nfs/dbraw/zinc/33/94/52/832339452.db2.gz YPYQCDUSKXFGHW-UHFFFAOYSA-N 1 0 344.419 -0.157 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H](CO)NC(N)=O)cc2)CC1 ZINC001176083786 832656579 /nfs/dbraw/zinc/65/65/79/832656579.db2.gz SUTMRAZHMCYVKU-AWEZNQCLSA-N 1 0 335.408 -0.916 20 10 EBCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001330039545 841099768 /nfs/dbraw/zinc/09/97/68/841099768.db2.gz JTLKEKRTGZNLHP-CQSZACIVSA-N 1 0 346.431 -0.258 20 10 EBCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CN(C)C(=O)CN2)[NH+](C)C)cc1 ZINC001345648716 843414163 /nfs/dbraw/zinc/41/41/63/843414163.db2.gz ZJSXLRPXOOALDR-HZPDHXFCSA-N 1 0 347.463 -0.098 20 10 EBCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC2=O)cc1C ZINC001486023538 1126974902 /nfs/dbraw/zinc/97/49/02/1126974902.db2.gz TWJXWCSXFYMTHP-KGLIPLIRSA-N 1 0 335.404 -0.294 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CNCC[NH3+])cc2)CC1 ZINC001357601171 1131105355 /nfs/dbraw/zinc/10/53/55/1131105355.db2.gz VTNVNDQEHWEGGX-UHFFFAOYSA-N 1 0 333.436 -0.480 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000785439387 583497783 /nfs/dbraw/zinc/49/77/83/583497783.db2.gz NYLCZHLSAJFERW-INIZCTEOSA-N 1 0 347.463 -0.269 20 10 EBCDRO CC(=O)NCC(=O)NCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281086 583997156 /nfs/dbraw/zinc/99/71/56/583997156.db2.gz SDNXCQIQNMTTDG-AWEZNQCLSA-N 1 0 335.408 -0.879 20 10 EBCDRO CC(=O)NCC(=O)NCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281092 583997213 /nfs/dbraw/zinc/99/72/13/583997213.db2.gz SDNXCQIQNMTTDG-CQSZACIVSA-N 1 0 335.408 -0.879 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000843298360 584075402 /nfs/dbraw/zinc/07/54/02/584075402.db2.gz MOHHEAPZMGCNKG-CQSZACIVSA-N 1 0 345.403 -0.191 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000843298989 584075631 /nfs/dbraw/zinc/07/56/31/584075631.db2.gz RVYXQBWJDGKZKC-LBPRGKRZSA-N 1 0 347.375 -0.711 20 10 EBCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)NCC2C[NH2+]C2)cc1 ZINC000846343166 584125057 /nfs/dbraw/zinc/12/50/57/584125057.db2.gz JKIJBQAUDKVXCC-UHFFFAOYSA-N 1 0 334.420 -0.075 20 10 EBCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851687405 584198941 /nfs/dbraw/zinc/19/89/41/584198941.db2.gz ADCOQYYHMLCZBL-ZDUSSCGKSA-N 1 0 348.447 -0.025 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)CN(CC[NH3+])C[C@@H](O)CO)cc1 ZINC000852753636 584215558 /nfs/dbraw/zinc/21/55/58/584215558.db2.gz FHBOBTWCOKIGBZ-MRXNPFEDSA-N 1 0 338.452 -0.675 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)cc1 ZINC000926289518 650384815 /nfs/dbraw/zinc/38/48/15/650384815.db2.gz WHTPRYUJKXUPFQ-UHFFFAOYSA-N 1 0 347.463 -0.268 20 10 EBCDRO COc1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(OC)n1 ZINC000996380210 726376830 /nfs/dbraw/zinc/37/68/30/726376830.db2.gz ZFGADWOMLNDTAK-LLVKDONJSA-N 1 0 348.403 -0.009 20 10 EBCDRO Cn1ncnc1C(=O)N1CC2(C1)C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275109795 817152019 /nfs/dbraw/zinc/15/20/19/817152019.db2.gz OYCMPGBJASCVHQ-UHFFFAOYSA-N 1 0 345.359 -0.110 20 10 EBCDRO [NH3+]C1CCN(CCNC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001335270500 842246197 /nfs/dbraw/zinc/24/61/97/842246197.db2.gz XYOLWBVXKATCNZ-UHFFFAOYSA-N 1 0 332.404 -0.226 20 10 EBCDRO CC[N@@H+]1CCC[C@H]1CNC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000060863713 381245148 /nfs/dbraw/zinc/24/51/48/381245148.db2.gz DEZNQLVDBIRJTE-NIANNCQZSA-N 1 0 340.449 -0.166 20 10 EBCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C3(C(N)=O)CC3)CC2)cc1 ZINC000754249557 583166864 /nfs/dbraw/zinc/16/68/64/583166864.db2.gz UTJMQJGORFHCPC-HNNXBMFYSA-N 1 0 348.447 -0.214 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000817918828 583730892 /nfs/dbraw/zinc/73/08/92/583730892.db2.gz NOYLCMLDVPOFTM-HNNXBMFYSA-N 1 0 334.420 -0.103 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000832299512 583997376 /nfs/dbraw/zinc/99/73/76/583997376.db2.gz BWTNCWQMKGGRNQ-AWEZNQCLSA-N 1 0 345.403 -0.571 20 10 EBCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NC1C[NH2+]C1 ZINC000842217069 584060633 /nfs/dbraw/zinc/06/06/33/584060633.db2.gz STXIOJOFXVNGDR-UHFFFAOYSA-N 1 0 336.367 -0.634 20 10 EBCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000842236828 584061667 /nfs/dbraw/zinc/06/16/67/584061667.db2.gz WEAKHDWAXXUJJK-UHFFFAOYSA-N 1 0 332.404 -0.430 20 10 EBCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H](O)CO)CC2)cc1 ZINC000843064234 584070999 /nfs/dbraw/zinc/07/09/99/584070999.db2.gz XHZKJNFMCVVQRC-HZPDHXFCSA-N 1 0 339.436 -0.879 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000843298216 584075256 /nfs/dbraw/zinc/07/52/56/584075256.db2.gz LOWRBFAHWJBSFL-ZDUSSCGKSA-N 1 0 331.376 -0.169 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2C(=O)CN(C)C2=O)cc1 ZINC000843298753 584075414 /nfs/dbraw/zinc/07/54/14/584075414.db2.gz OZIPALDTGJLXBN-CYBMUJFWSA-N 1 0 333.392 -0.237 20 10 EBCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000851687852 584198909 /nfs/dbraw/zinc/19/89/09/584198909.db2.gz JONAAADYAVKNJR-OLZOCXBDSA-N 1 0 332.404 -0.132 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)C3(O)C[NH2+]C3)CC2)cc1 ZINC000852872749 584218154 /nfs/dbraw/zinc/21/81/54/584218154.db2.gz LQCHMNHGXCPJCQ-UHFFFAOYSA-N 1 0 334.420 -0.732 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000861734390 584335840 /nfs/dbraw/zinc/33/58/40/584335840.db2.gz GQCDMZHRBXIOJS-UHFFFAOYSA-N 1 0 334.420 -0.007 20 10 EBCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000884334379 584621740 /nfs/dbraw/zinc/62/17/40/584621740.db2.gz OBOZLERWYMHIAA-INIZCTEOSA-N 1 0 334.420 -0.055 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC000889663294 584687872 /nfs/dbraw/zinc/68/78/72/584687872.db2.gz OADGSOUJKWPCBQ-WBVHZDCISA-N 1 0 348.447 -0.067 20 10 EBCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CC(CO)C2)[NH+](C)C)cc1 ZINC000934326911 719450618 /nfs/dbraw/zinc/45/06/18/719450618.db2.gz FBMUZYNLFBJHNN-INIZCTEOSA-N 1 0 348.447 -0.078 20 10 EBCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC000958732737 722421860 /nfs/dbraw/zinc/42/18/60/722421860.db2.gz QBKSYGPKZGZSMB-WCQYABFASA-N 1 0 335.364 -0.136 20 10 EBCDRO C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001261633688 812956224 /nfs/dbraw/zinc/95/62/24/812956224.db2.gz MUAKXVHZEWBDNQ-GFCCVEGCSA-N 1 0 334.420 -0.273 20 10 EBCDRO NC(=O)C1CC[NH+](CCC(=O)NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001180613033 833097358 /nfs/dbraw/zinc/09/73/58/833097358.db2.gz LKTQKIYKIXOLPZ-UHFFFAOYSA-N 1 0 349.387 -0.016 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)cc1C ZINC001151306329 831054661 /nfs/dbraw/zinc/05/46/61/831054661.db2.gz FXXMUOMFQPJLCB-CYBMUJFWSA-N 1 0 341.433 -0.099 20 10 EBCDRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001151379637 831065730 /nfs/dbraw/zinc/06/57/30/831065730.db2.gz MGQMFBCTVVVSGB-UHFFFAOYSA-N 1 0 329.422 -0.241 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC2)cc1F ZINC001326182817 840058799 /nfs/dbraw/zinc/05/87/99/840058799.db2.gz MDOPFAOZAIGFKK-LLVKDONJSA-N 1 0 338.383 -0.054 20 10 EBCDRO [NH3+][C@H]1CCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)C1 ZINC001327002739 840266639 /nfs/dbraw/zinc/26/66/39/840266639.db2.gz MAQCNLBHPNPPAO-STQMWFEESA-N 1 0 344.371 -0.905 20 10 EBCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001328400723 840670848 /nfs/dbraw/zinc/67/08/48/840670848.db2.gz KUWJLIWPQQPGPJ-DGCLKSJQSA-N 1 0 346.387 -0.659 20 10 EBCDRO C[NH+](C)CCN1CC2(CN(C(=O)c3cccc(O)c3O)C2)OCC1=O ZINC001269686336 1126110206 /nfs/dbraw/zinc/11/02/06/1126110206.db2.gz MNYRSMZDKHOJHT-UHFFFAOYSA-N 1 0 349.387 -0.287 20 10 EBCDRO CCN(CCO)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898327541 582725792 /nfs/dbraw/zinc/72/57/92/582725792.db2.gz LXVNFOXFRBASQZ-UHFFFAOYSA-N 1 0 348.447 -0.105 20 10 EBCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)CC(N)=O)CC2)cc1 ZINC000754012510 583165583 /nfs/dbraw/zinc/16/55/83/583165583.db2.gz ZGZWKYUPWARBAX-HNNXBMFYSA-N 1 0 336.436 -0.405 20 10 EBCDRO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768445868 583314674 /nfs/dbraw/zinc/31/46/74/583314674.db2.gz ISJSXQPUYIHKMJ-GWCFXTLKSA-N 1 0 328.390 -0.059 20 10 EBCDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000816617915 583718312 /nfs/dbraw/zinc/71/83/12/583718312.db2.gz LIPBAUVZYRNHIU-SNVBAGLBSA-N 1 0 331.394 -0.584 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CS(=O)(=O)N(C)C)cc1 ZINC000832284192 583997187 /nfs/dbraw/zinc/99/71/87/583997187.db2.gz IBOJDEUPMMWILQ-ZDUSSCGKSA-N 1 0 328.438 -0.240 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000832299513 583997279 /nfs/dbraw/zinc/99/72/79/583997279.db2.gz BWTNCWQMKGGRNQ-CQSZACIVSA-N 1 0 345.403 -0.571 20 10 EBCDRO O=C(NC1C[NH2+]C1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842234383 584061663 /nfs/dbraw/zinc/06/16/63/584061663.db2.gz FMRRGVAHSNQDJR-CQSZACIVSA-N 1 0 333.388 -0.012 20 10 EBCDRO COCCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842235495 584061711 /nfs/dbraw/zinc/06/17/11/584061711.db2.gz GVHLZKXNQCRVHV-UHFFFAOYSA-N 1 0 336.436 -0.036 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1 ZINC000843298819 584075291 /nfs/dbraw/zinc/07/52/91/584075291.db2.gz QGNNBQWQORIMFY-KBPBESRZSA-N 1 0 340.449 -0.098 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000843298215 584075337 /nfs/dbraw/zinc/07/53/37/584075337.db2.gz LOWRBFAHWJBSFL-CYBMUJFWSA-N 1 0 331.376 -0.169 20 10 EBCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3COCC[NH2+]3)ccc21 ZINC000861750582 584337287 /nfs/dbraw/zinc/33/72/87/584337287.db2.gz TUSOVHKGYSXOBO-HNNXBMFYSA-N 1 0 346.431 -0.210 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)NCC[NH3+])CC2)c(OC)c1 ZINC000884672965 584633060 /nfs/dbraw/zinc/63/30/60/584633060.db2.gz IRFVMKUJGFSTNL-UHFFFAOYSA-N 1 0 336.392 -0.573 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911124366 650152875 /nfs/dbraw/zinc/15/28/75/650152875.db2.gz LMMSGIGICLVZNL-UHFFFAOYSA-N 1 0 347.463 -0.301 20 10 EBCDRO C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000911227077 650160715 /nfs/dbraw/zinc/16/07/15/650160715.db2.gz STEOMSITUSRTLP-CQSZACIVSA-N 1 0 347.463 -0.049 20 10 EBCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CNOC2)[NH+](C)C)cc1 ZINC000911465113 650186497 /nfs/dbraw/zinc/18/64/97/650186497.db2.gz QIZQGSMOOKRSDW-DZGCQCFKSA-N 1 0 349.435 -0.509 20 10 EBCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)CCO)[NH+](C)C)cc1 ZINC000934318451 719450754 /nfs/dbraw/zinc/45/07/54/719450754.db2.gz VTWXUNCNHBAWAL-OAHLLOKOSA-N 1 0 336.436 -0.078 20 10 EBCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CC(CO)C2)[NH+](C)C)cc1 ZINC000934326912 719450849 /nfs/dbraw/zinc/45/08/49/719450849.db2.gz FBMUZYNLFBJHNN-MRXNPFEDSA-N 1 0 348.447 -0.078 20 10 EBCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)cc(OC)n1 ZINC001020352236 729143631 /nfs/dbraw/zinc/14/36/31/729143631.db2.gz DRLZAJUZFCTTIX-IJLUTSLNSA-N 1 0 334.376 -0.162 20 10 EBCDRO CN(C)S(=O)(=O)N1CC2(C1)C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275115946 817152343 /nfs/dbraw/zinc/15/23/43/817152343.db2.gz QHPPEOFDMZRHSA-UHFFFAOYSA-N 1 0 343.405 -0.273 20 10 EBCDRO [NH3+]CCN(CCNC(=O)CCc1ccc(O)c(O)c1)N(O)N=O ZINC001182157505 833208553 /nfs/dbraw/zinc/20/85/53/833208553.db2.gz SEKOQJUVFAYAEG-UHFFFAOYSA-N 1 0 327.341 -0.305 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)cc1C ZINC001127653419 828312331 /nfs/dbraw/zinc/31/23/31/828312331.db2.gz WKBKHVHUWLXSHY-UHFFFAOYSA-N 1 0 346.391 -0.400 20 10 EBCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508523 830165650 /nfs/dbraw/zinc/16/56/50/830165650.db2.gz PIDOLVNVQHIBFO-MRXNPFEDSA-N 1 0 335.360 -0.274 20 10 EBCDRO CS(=O)(=O)N(CC[NH3+])C(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155218024 831393046 /nfs/dbraw/zinc/39/30/46/831393046.db2.gz DZABXDFDDNDALS-UHFFFAOYSA-N 1 0 342.329 -0.435 20 10 EBCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC[C@H]1O ZINC001206102198 836623413 /nfs/dbraw/zinc/62/34/13/836623413.db2.gz SDCOKALEOVTNJK-HZPDHXFCSA-N 1 0 339.461 -0.185 20 10 EBCDRO NC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C(N)=O ZINC001206838654 836680381 /nfs/dbraw/zinc/68/03/81/836680381.db2.gz OVLDOJBYZFGJGV-IYBDPMFKSA-N 1 0 346.431 -0.334 20 10 EBCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC2=O)cc1C ZINC001486023537 1126975334 /nfs/dbraw/zinc/97/53/34/1126975334.db2.gz TWJXWCSXFYMTHP-KBPBESRZSA-N 1 0 335.404 -0.294 20 10 EBCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)cc1C ZINC001486028573 1126999510 /nfs/dbraw/zinc/99/95/10/1126999510.db2.gz VRCCZNNPCOBSRY-GFCCVEGCSA-N 1 0 334.380 -0.592 20 10 EBCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCNC(=O)C3)CC2)cc1 ZINC000779216514 583432199 /nfs/dbraw/zinc/43/21/99/583432199.db2.gz QNNCOOHPYRJBGK-MRXNPFEDSA-N 1 0 348.447 -0.390 20 10 EBCDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000842035793 584056754 /nfs/dbraw/zinc/05/67/54/584056754.db2.gz IZHMEUJBYLYGTB-DOMZBBRYSA-N 1 0 334.420 -0.057 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000842037107 584056763 /nfs/dbraw/zinc/05/67/63/584056763.db2.gz VGMFJLIPLQDDKF-OAHLLOKOSA-N 1 0 333.436 -0.530 20 10 EBCDRO O=C(C[NH2+]C(CO)CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846934666 584133119 /nfs/dbraw/zinc/13/31/19/584133119.db2.gz HHDRTPAVBVJQPL-UHFFFAOYSA-N 1 0 341.383 -0.779 20 10 EBCDRO Nc1ccc(CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848613484 584159521 /nfs/dbraw/zinc/15/95/21/584159521.db2.gz IXULKDLIUZOXKD-LSDHHAIUSA-N 1 0 332.404 -0.795 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC000910994147 650144033 /nfs/dbraw/zinc/14/40/33/650144033.db2.gz WJJSDLQGQLULDA-UHFFFAOYSA-N 1 0 347.463 -0.092 20 10 EBCDRO C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000911227076 650160847 /nfs/dbraw/zinc/16/08/47/650160847.db2.gz STEOMSITUSRTLP-AWEZNQCLSA-N 1 0 347.463 -0.049 20 10 EBCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC000958732736 722421886 /nfs/dbraw/zinc/42/18/86/722421886.db2.gz QBKSYGPKZGZSMB-DGCLKSJQSA-N 1 0 335.364 -0.136 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](O)C[NH3+])cc2)CC1 ZINC001341929632 843126192 /nfs/dbraw/zinc/12/61/92/843126192.db2.gz XZYCAWDALUPEHN-INIZCTEOSA-N 1 0 334.420 -0.319 20 10 EBCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001342095947 843138713 /nfs/dbraw/zinc/13/87/13/843138713.db2.gz IEZNFNCDPFJFNY-AWEZNQCLSA-N 1 0 334.420 -0.287 20 10 EBCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CN(C)C(=O)CN2)[NH+](C)C)cc1 ZINC001345648712 843414683 /nfs/dbraw/zinc/41/46/83/843414683.db2.gz ZJSXLRPXOOALDR-CVEARBPZSA-N 1 0 347.463 -0.098 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)CC1 ZINC001349402964 843899019 /nfs/dbraw/zinc/89/90/19/843899019.db2.gz GOAMMWDDWPYLIQ-UHFFFAOYSA-N 1 0 347.419 -0.954 20 10 EBCDRO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482735655 1126264894 /nfs/dbraw/zinc/26/48/94/1126264894.db2.gz QGESIHMJQHBBNQ-CYBMUJFWSA-N 1 0 338.408 -0.501 20 10 EBCDRO NC(=O)CN1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000365255159 378480064 /nfs/dbraw/zinc/48/00/64/378480064.db2.gz HRQDNHOCVZRYAZ-UHFFFAOYSA-N 1 0 349.347 -0.077 20 10 EBCDRO O=S1(=O)C[C@H]([NH2+]Cc2ccccc2O)[C@@H](N2CCOCC2)C1 ZINC000265216771 379255570 /nfs/dbraw/zinc/25/55/70/379255570.db2.gz FVNSPSSXQUJZOB-KBPBESRZSA-N 1 0 326.418 -0.020 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](O)[C@H](CO)C3)CC2)cc1 ZINC000839170991 583060700 /nfs/dbraw/zinc/06/07/00/583060700.db2.gz WVLWEHYUIWXMDW-YOEHRIQHSA-N 1 0 349.431 -0.371 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1F ZINC000842148836 584057712 /nfs/dbraw/zinc/05/77/12/584057712.db2.gz QMEMPBSDSDHOPD-GFCCVEGCSA-N 1 0 338.383 -0.388 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000842784860 584067131 /nfs/dbraw/zinc/06/71/31/584067131.db2.gz MOIPJBJNFUZHKJ-ZDUSSCGKSA-N 1 0 349.478 -0.284 20 10 EBCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C(CO)CO)CC2)cc1 ZINC000843060364 584070812 /nfs/dbraw/zinc/07/08/12/584070812.db2.gz VKSLHMQWTBRLOB-MRXNPFEDSA-N 1 0 339.436 -0.879 20 10 EBCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000851687854 584198930 /nfs/dbraw/zinc/19/89/30/584198930.db2.gz JONAAADYAVKNJR-STQMWFEESA-N 1 0 332.404 -0.132 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(CO)CO)cc2)CC1 ZINC000889664075 584687954 /nfs/dbraw/zinc/68/79/54/584687954.db2.gz ZNRQGDXCPKDOJQ-UHFFFAOYSA-N 1 0 336.436 -0.019 20 10 EBCDRO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000962969228 723358506 /nfs/dbraw/zinc/35/85/06/723358506.db2.gz DMGOSMQKSSBQAQ-PJXYFTJBSA-N 1 0 330.348 -0.006 20 10 EBCDRO C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001261633689 812956133 /nfs/dbraw/zinc/95/61/33/812956133.db2.gz MUAKXVHZEWBDNQ-LBPRGKRZSA-N 1 0 334.420 -0.273 20 10 EBCDRO C[NH+](C)CCN1CCC12CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272972792 816563302 /nfs/dbraw/zinc/56/33/02/816563302.db2.gz XIODHSAVYKMADI-MRXNPFEDSA-N 1 0 349.431 -0.151 20 10 EBCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCC(N)=O)CC2)cc1 ZINC001120480592 827231035 /nfs/dbraw/zinc/23/10/35/827231035.db2.gz YMKYRYIXVSKRJE-HNNXBMFYSA-N 1 0 336.436 -0.357 20 10 EBCDRO NC(=O)[C@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C(N)=O ZINC001196093739 835347902 /nfs/dbraw/zinc/34/79/02/835347902.db2.gz NOZYLWXMVXJJJI-GJZGRUSLSA-N 1 0 332.404 -0.458 20 10 EBCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1O ZINC001206490431 836651686 /nfs/dbraw/zinc/65/16/86/836651686.db2.gz CAKOFEWIRFZZBN-GOEBONIOSA-N 1 0 339.461 -0.327 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)C[C@@H](O)C[NH3+])CC2)cc1 ZINC001341734314 843109719 /nfs/dbraw/zinc/10/97/19/843109719.db2.gz VUXRUNMKQWRZRZ-OAHLLOKOSA-N 1 0 336.436 -0.357 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)CNC(=O)C[NH3+])CC2)cc1 ZINC000274401038 379688083 /nfs/dbraw/zinc/68/80/83/379688083.db2.gz GSYMNMYWLXTCPZ-UHFFFAOYSA-N 1 0 349.435 -0.992 20 10 EBCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[NH+](CCO)CC1)cc2=O ZINC000298718858 521581054 /nfs/dbraw/zinc/58/10/54/521581054.db2.gz KKPFBIQFDBWFEM-UHFFFAOYSA-N 1 0 349.391 -0.279 20 10 EBCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)CC(N)=O)CC2)cc1 ZINC000754012518 583165625 /nfs/dbraw/zinc/16/56/25/583165625.db2.gz ZGZWKYUPWARBAX-OAHLLOKOSA-N 1 0 336.436 -0.405 20 10 EBCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)NCC3C[NH2+]C3)C2)cc1 ZINC000818677189 583747920 /nfs/dbraw/zinc/74/79/20/583747920.db2.gz QWVOAYILPCEMGE-CYBMUJFWSA-N 1 0 346.431 -0.027 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000832274773 583997093 /nfs/dbraw/zinc/99/70/93/583997093.db2.gz YACQFNXLLFEMTF-CQSZACIVSA-N 1 0 345.403 -0.420 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000842036766 584056577 /nfs/dbraw/zinc/05/65/77/584056577.db2.gz XDNDWLWFJMLYOC-OAHLLOKOSA-N 1 0 334.420 -0.055 20 10 EBCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000842192378 584060415 /nfs/dbraw/zinc/06/04/15/584060415.db2.gz RPYLFBATVUNQSB-AWEZNQCLSA-N 1 0 346.431 -0.040 20 10 EBCDRO COc1ccc(N2CCN(C(=O)CN(C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000844225905 584091669 /nfs/dbraw/zinc/09/16/69/584091669.db2.gz XVMHGFBSFOGICK-OAHLLOKOSA-N 1 0 336.436 -0.405 20 10 EBCDRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000851685804 584198624 /nfs/dbraw/zinc/19/86/24/584198624.db2.gz GWLCYJHQKHPRDQ-UHFFFAOYSA-N 1 0 334.420 -0.053 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCOCCC[NH3+])cc1F ZINC000861749532 584337332 /nfs/dbraw/zinc/33/73/32/584337332.db2.gz BRKFKLPWFSTLHQ-UHFFFAOYSA-N 1 0 340.399 -0.011 20 10 EBCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCNCC1=O ZINC000876507007 584517464 /nfs/dbraw/zinc/51/74/64/584517464.db2.gz SOZLUHIZXIEBSL-SWLSCSKDSA-N 1 0 333.436 -0.311 20 10 EBCDRO Nc1ccc(CC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000876994251 584527766 /nfs/dbraw/zinc/52/77/66/584527766.db2.gz FCBJOFABLQDKLJ-UHFFFAOYSA-N 1 0 331.420 -0.019 20 10 EBCDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000910999536 650144831 /nfs/dbraw/zinc/14/48/31/650144831.db2.gz MCWREQJBFPLJEV-HNNXBMFYSA-N 1 0 334.420 -0.184 20 10 EBCDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000910999540 650144848 /nfs/dbraw/zinc/14/48/48/650144848.db2.gz MCWREQJBFPLJEV-OAHLLOKOSA-N 1 0 334.420 -0.184 20 10 EBCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000911203801 650159527 /nfs/dbraw/zinc/15/95/27/650159527.db2.gz JIVGHNNATKYPBC-CZUORRHYSA-N 1 0 346.431 -0.137 20 10 EBCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](O)Cc1ccc(O)c(O)c1 ZINC001272971941 816563410 /nfs/dbraw/zinc/56/34/10/816563410.db2.gz MWHUHQXHQDNRSD-JKIFEVAISA-N 1 0 349.431 -0.152 20 10 EBCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)cc1C ZINC001278178071 817718678 /nfs/dbraw/zinc/71/86/78/817718678.db2.gz AJBIEOCJCOEVRF-ZDUSSCGKSA-N 1 0 333.392 -0.069 20 10 EBCDRO COc1ccc(C[NH2+]CCN(C)C(=O)CN2CCNC(=O)C2)cc1C ZINC001317617518 822181079 /nfs/dbraw/zinc/18/10/79/822181079.db2.gz QDGPZVGPBCMCBH-UHFFFAOYSA-N 1 0 348.447 -0.017 20 10 EBCDRO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153048235 831203319 /nfs/dbraw/zinc/20/33/19/831203319.db2.gz WQNZTANKXAQZTR-UHFFFAOYSA-N 1 0 349.351 -0.376 20 10 EBCDRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925251 831906516 /nfs/dbraw/zinc/90/65/16/831906516.db2.gz WQRRFEBCIDRNSF-CYBMUJFWSA-N 1 0 333.388 -0.297 20 10 EBCDRO C[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001326182049 840058157 /nfs/dbraw/zinc/05/81/57/840058157.db2.gz CYQNLFOFJRKFJX-UHFFFAOYSA-N 1 0 338.383 -0.182 20 10 EBCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C3(C(N)=O)CC3)CC2)cc1 ZINC000754249558 583166885 /nfs/dbraw/zinc/16/68/85/583166885.db2.gz UTJMQJGORFHCPC-OAHLLOKOSA-N 1 0 348.447 -0.214 20 10 EBCDRO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768445869 583314511 /nfs/dbraw/zinc/31/45/11/583314511.db2.gz ISJSXQPUYIHKMJ-GXFFZTMASA-N 1 0 328.390 -0.059 20 10 EBCDRO COCCN1C(=O)C(=CNNc2[nH+]cccc2F)C(=O)NC1=S ZINC000794696696 583584872 /nfs/dbraw/zinc/58/48/72/583584872.db2.gz ATVLNPHEKMCFKY-BQYQJAHWSA-N 1 0 339.352 -0.089 20 10 EBCDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000816617914 583718349 /nfs/dbraw/zinc/71/83/49/583718349.db2.gz LIPBAUVZYRNHIU-JTQLQIEISA-N 1 0 331.394 -0.584 20 10 EBCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC3C[NH2+]C3)C2)cc1 ZINC000818678590 583748259 /nfs/dbraw/zinc/74/82/59/583748259.db2.gz YCMZRZXUTKHXJR-GFCCVEGCSA-N 1 0 332.404 -0.274 20 10 EBCDRO COc1ccc(N2CCN(CC[NH2+]CCC(=O)NC(N)=O)CC2)cc1 ZINC000818982583 583753828 /nfs/dbraw/zinc/75/38/28/583753828.db2.gz OKFPADGARQWQFX-UHFFFAOYSA-N 1 0 349.435 -0.008 20 10 EBCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)COCC[NH3+])cc2)C1 ZINC000827469215 583921577 /nfs/dbraw/zinc/92/15/77/583921577.db2.gz QIFSVNCFDDULQA-AWEZNQCLSA-N 1 0 334.420 -0.020 20 10 EBCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)ccc21 ZINC000842150395 584057805 /nfs/dbraw/zinc/05/78/05/584057805.db2.gz QXAWNDLIJLQYBK-HNNXBMFYSA-N 1 0 346.431 -0.210 20 10 EBCDRO COc1ccc(N2CCN(C(=O)CN(C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000844225903 584091761 /nfs/dbraw/zinc/09/17/61/584091761.db2.gz XVMHGFBSFOGICK-HNNXBMFYSA-N 1 0 336.436 -0.405 20 10 EBCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000861761511 584338159 /nfs/dbraw/zinc/33/81/59/584338159.db2.gz JXEPIXNITMCWRM-ZDUSSCGKSA-N 1 0 334.420 -0.055 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000861801970 584339310 /nfs/dbraw/zinc/33/93/10/584339310.db2.gz CAQCAZZIWCBINN-AWEZNQCLSA-N 1 0 334.420 -0.184 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)CC1 ZINC000876909977 584526675 /nfs/dbraw/zinc/52/66/75/584526675.db2.gz OBALITYBUJECON-KRWDZBQOSA-N 1 0 347.463 -0.140 20 10 EBCDRO O=S1(=O)CCN(c2ccc(CN[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925489031 650379262 /nfs/dbraw/zinc/37/92/62/650379262.db2.gz WURQBIORFVAMMZ-HNNXBMFYSA-N 1 0 339.461 -0.001 20 10 EBCDRO COc1cc(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc(OC)n1 ZINC000996380212 726377258 /nfs/dbraw/zinc/37/72/58/726377258.db2.gz ZFGADWOMLNDTAK-NSHDSACASA-N 1 0 348.403 -0.009 20 10 EBCDRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1ccccc1O ZINC001219923574 810909337 /nfs/dbraw/zinc/90/93/37/810909337.db2.gz RXBPGMKKDUAHDH-AAEUAGOBSA-N 1 0 348.403 -0.537 20 10 EBCDRO Cc1cc(C)c(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c(O)c1 ZINC001220825966 811257267 /nfs/dbraw/zinc/25/72/67/811257267.db2.gz VYHPGUGAUYFEBK-JQWIXIFHSA-N 1 0 336.392 -0.667 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC2)cc1F ZINC001326182818 840058345 /nfs/dbraw/zinc/05/83/45/840058345.db2.gz MDOPFAOZAIGFKK-NSHDSACASA-N 1 0 338.383 -0.054 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)CN3CCNCC3=O)cc2)CC1 ZINC001330983259 841306901 /nfs/dbraw/zinc/30/69/01/841306901.db2.gz PRAGODDNYRWPFY-UHFFFAOYSA-N 1 0 345.447 -0.514 20 10 EBCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001335812648 842358955 /nfs/dbraw/zinc/35/89/55/842358955.db2.gz VYSLAFGVYOKMRU-UHFFFAOYSA-N 1 0 334.420 -0.110 20 10 EBCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001347073441 843587508 /nfs/dbraw/zinc/58/75/08/843587508.db2.gz JTLKEKRTGZNLHP-AWEZNQCLSA-N 1 0 346.431 -0.258 20 10 EBCDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000269920652 379417702 /nfs/dbraw/zinc/41/77/02/379417702.db2.gz RPZMLUGYKZOSHV-CQSZACIVSA-N 1 0 345.421 -0.194 20 10 EBCDRO COCCN1C(=O)C(=CNNc2ccc(F)c[nH+]2)C(=O)NC1=S ZINC000731371839 582836555 /nfs/dbraw/zinc/83/65/55/582836555.db2.gz OXIWNFQABRXOLD-CLFYSBASSA-N 1 0 339.352 -0.089 20 10 EBCDRO CCS(=O)(=O)NCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280180 583997210 /nfs/dbraw/zinc/99/72/10/583997210.db2.gz NTUISKDXRREPQO-CYBMUJFWSA-N 1 0 328.438 -0.192 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CCC(=O)NC2=O)cc1 ZINC000832273832 583997221 /nfs/dbraw/zinc/99/72/21/583997221.db2.gz QTADIYQURBKWEP-ZDUSSCGKSA-N 1 0 333.392 -0.190 20 10 EBCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)ccc21 ZINC000842149552 584057687 /nfs/dbraw/zinc/05/76/87/584057687.db2.gz AACJEYSDQONHAZ-OAHLLOKOSA-N 1 0 346.431 -0.129 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc1F ZINC000842147966 584057796 /nfs/dbraw/zinc/05/77/96/584057796.db2.gz JTKCNUWQOWPYLE-UHFFFAOYSA-N 1 0 326.372 -0.713 20 10 EBCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000842190184 584060316 /nfs/dbraw/zinc/06/03/16/584060316.db2.gz BPJCAMXLDXVDBI-AWEZNQCLSA-N 1 0 346.431 -0.040 20 10 EBCDRO Nc1nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc(N)[nH+]1 ZINC000858386626 584287469 /nfs/dbraw/zinc/28/74/69/584287469.db2.gz SOYMCTDANUPJCR-UHFFFAOYSA-N 1 0 349.420 -0.117 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H](N)C[NH+](C)C)CC2)cc1 ZINC000876781992 584523696 /nfs/dbraw/zinc/52/36/96/584523696.db2.gz KUJCXANLKADIDU-KRWDZBQOSA-N 1 0 349.479 -0.178 20 10 EBCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)cc1 ZINC000911506843 650189057 /nfs/dbraw/zinc/18/90/57/650189057.db2.gz SBYCNRPVYDZYNQ-LBPRGKRZSA-N 1 0 332.404 -0.002 20 10 EBCDRO C[NH+](C)CCN1CCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001268909731 814439069 /nfs/dbraw/zinc/43/90/69/814439069.db2.gz NMHTYJMIOKQFFI-UHFFFAOYSA-N 1 0 342.490 -0.305 20 10 EBCDRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001269954369 815650640 /nfs/dbraw/zinc/65/06/40/815650640.db2.gz JRQITBWLOCDAKF-UHFFFAOYSA-N 1 0 349.387 -0.287 20 10 EBCDRO CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144510242 830165614 /nfs/dbraw/zinc/16/56/14/830165614.db2.gz VONZBKINAFHOKS-DOMZBBRYSA-N 1 0 337.376 -0.566 20 10 EBCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1O ZINC001205973357 836615660 /nfs/dbraw/zinc/61/56/60/836615660.db2.gz OSIYGWVYMQFLPW-HZPDHXFCSA-N 1 0 339.461 -0.185 20 10 EBCDRO C[C@@H](CO)N(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898321205 582725708 /nfs/dbraw/zinc/72/57/08/582725708.db2.gz ZBALEZLMSSDVKB-AWEZNQCLSA-N 1 0 348.447 -0.106 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000832173633 583996363 /nfs/dbraw/zinc/99/63/63/583996363.db2.gz STUCBRQXPXKGLQ-QGZVFWFLSA-N 1 0 346.431 -0.040 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000832274772 583997176 /nfs/dbraw/zinc/99/71/76/583997176.db2.gz YACQFNXLLFEMTF-AWEZNQCLSA-N 1 0 345.403 -0.420 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC000832300578 583997293 /nfs/dbraw/zinc/99/72/93/583997293.db2.gz ZMFKCGPRMCBWSS-CYBMUJFWSA-N 1 0 331.376 -0.018 20 10 EBCDRO [NH3+]CCN(CCO)C(=O)C(=O)NCCCSc1nccs1 ZINC000842092829 584057146 /nfs/dbraw/zinc/05/71/46/584057146.db2.gz MYDSMYQONOELJF-UHFFFAOYSA-N 1 0 332.451 -0.479 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)N2CCOCC2)cc1 ZINC000842785668 584067057 /nfs/dbraw/zinc/06/70/57/584067057.db2.gz JUUHJXMRHMTCIG-AWEZNQCLSA-N 1 0 328.438 -0.081 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000842784853 584067126 /nfs/dbraw/zinc/06/71/26/584067126.db2.gz MOIPJBJNFUZHKJ-CYBMUJFWSA-N 1 0 349.478 -0.284 20 10 EBCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000861761510 584338063 /nfs/dbraw/zinc/33/80/63/584338063.db2.gz JXEPIXNITMCWRM-CYBMUJFWSA-N 1 0 334.420 -0.055 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000910992644 650144022 /nfs/dbraw/zinc/14/40/22/650144022.db2.gz NSSJDOPJQAALIP-KRWDZBQOSA-N 1 0 334.420 -0.319 20 10 EBCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001278187709 817721957 /nfs/dbraw/zinc/72/19/57/817721957.db2.gz WUXZEZVJKUTIPX-KBPBESRZSA-N 1 0 335.404 -0.151 20 10 EBCDRO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001119416443 827106940 /nfs/dbraw/zinc/10/69/40/827106940.db2.gz DWYNSLWQAZQPOJ-SHTZXODSSA-N 1 0 346.431 -0.007 20 10 EBCDRO NC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(N)=O ZINC001196093737 835347776 /nfs/dbraw/zinc/34/77/76/835347776.db2.gz NOZYLWXMVXJJJI-GASCZTMLSA-N 1 0 332.404 -0.458 20 10 EBCDRO NC(=O)[C@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C(N)=O ZINC001206838365 836679738 /nfs/dbraw/zinc/67/97/38/836679738.db2.gz OVLDOJBYZFGJGV-HOTGVXAUSA-N 1 0 346.431 -0.334 20 10 EBCDRO C[NH2+]CCN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001327004365 840266945 /nfs/dbraw/zinc/26/69/45/840266945.db2.gz UYEGMZVLSYMDAU-ZDUSSCGKSA-N 1 0 346.387 -0.787 20 10 EBCDRO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C(N)=O)O1 ZINC000122103384 376795994 /nfs/dbraw/zinc/79/59/94/376795994.db2.gz HSCMWZMOZFCFMX-IUODEOHRSA-N 1 0 334.420 -0.057 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000276459691 379838667 /nfs/dbraw/zinc/83/86/67/379838667.db2.gz OKWRZFJMGHRQMQ-QGZVFWFLSA-N 1 0 334.420 -0.367 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276459689 379839229 /nfs/dbraw/zinc/83/92/29/379839229.db2.gz OKWRZFJMGHRQMQ-KRWDZBQOSA-N 1 0 334.420 -0.367 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842154150 584057811 /nfs/dbraw/zinc/05/78/11/584057811.db2.gz RRDMEMSNONPYFQ-OAHLLOKOSA-N 1 0 334.420 -0.218 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000842227265 584061147 /nfs/dbraw/zinc/06/11/47/584061147.db2.gz ZWHDCBATSQGDMC-UHFFFAOYSA-N 1 0 347.463 -0.220 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nc3n(n2)CCCN3)cc1 ZINC000843298372 584075328 /nfs/dbraw/zinc/07/53/28/584075328.db2.gz NVARDSVSUSJQJL-ZDUSSCGKSA-N 1 0 329.408 -0.153 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)CC1 ZINC000852890853 584219502 /nfs/dbraw/zinc/21/95/02/584219502.db2.gz QIQBRLINTLPOAJ-UHFFFAOYSA-N 1 0 332.404 -0.694 20 10 EBCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884613094 584629952 /nfs/dbraw/zinc/62/99/52/584629952.db2.gz CTFYEJNOYVYASH-HOCLYGCPSA-N 1 0 344.415 -0.288 20 10 EBCDRO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1 ZINC001269918420 815638344 /nfs/dbraw/zinc/63/83/44/815638344.db2.gz YZGSBVCITUDHTC-RYUDHWBXSA-N 1 0 334.376 -0.130 20 10 EBCDRO O=C1COCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)N1C1COC1 ZINC001273671740 816720553 /nfs/dbraw/zinc/72/05/53/816720553.db2.gz PPOAKXCZGOSTRH-UHFFFAOYSA-N 1 0 336.344 -0.385 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)cc1C ZINC001130588680 828891585 /nfs/dbraw/zinc/89/15/85/828891585.db2.gz ZHYXFRCKEKVRHW-UHFFFAOYSA-N 1 0 333.392 -0.195 20 10 EBCDRO COc1ccc(-n2nnnc2CNCCNC(=O)CC[NH+](C)C)cc1 ZINC001133297371 829617722 /nfs/dbraw/zinc/61/77/22/829617722.db2.gz LYNVYWZXCJQNMF-UHFFFAOYSA-N 1 0 347.423 -0.172 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)cc1F ZINC001327551287 840453031 /nfs/dbraw/zinc/45/30/31/840453031.db2.gz OLXKUSFNYQLHRS-NSHDSACASA-N 1 0 338.383 -0.054 20 10 EBCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330184578 841137074 /nfs/dbraw/zinc/13/70/74/841137074.db2.gz RHVBZWMFLFSHLR-ZDUSSCGKSA-N 1 0 332.404 -0.404 20 10 EBCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001331781470 841496509 /nfs/dbraw/zinc/49/65/09/841496509.db2.gz YMUKYQNBTUNTGS-DGCLKSJQSA-N 1 0 346.387 -0.659 20 10 EBCDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001333624433 841918328 /nfs/dbraw/zinc/91/83/28/841918328.db2.gz FJWCQEIADHAZBJ-ZDUSSCGKSA-N 1 0 334.420 -0.007 20 10 EBCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CN(C)C(=O)CN2)[NH+](C)C)cc1 ZINC001345648714 843414372 /nfs/dbraw/zinc/41/43/72/843414372.db2.gz ZJSXLRPXOOALDR-HOTGVXAUSA-N 1 0 347.463 -0.098 20 10 EBCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)CCCO)cc2=O ZINC000264623019 379249047 /nfs/dbraw/zinc/24/90/47/379249047.db2.gz OIJUVKUIDLNMTA-UHFFFAOYSA-N 1 0 338.364 -0.212 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000269309372 379361558 /nfs/dbraw/zinc/36/15/58/379361558.db2.gz VRVSNXZQWLLTQF-KRWDZBQOSA-N 1 0 348.447 -0.078 20 10 EBCDRO CN(C)c1ccc([C@@H](CNC(=O)CN2CCNC(=O)C2)[NH+](C)C)cc1 ZINC000891247750 582543584 /nfs/dbraw/zinc/54/35/84/582543584.db2.gz UZJOCJCQJRYXIN-MRXNPFEDSA-N 1 0 347.463 -0.097 20 10 EBCDRO C[NH+]1CCN(c2ccc(CN3CC4(C3)NC(=O)NC4=O)cc2)CC1 ZINC000897906659 582713416 /nfs/dbraw/zinc/71/34/16/582713416.db2.gz WWTFVIFEGJQTLW-UHFFFAOYSA-N 1 0 329.404 -0.168 20 10 EBCDRO CN(CCCO)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898323348 582725694 /nfs/dbraw/zinc/72/56/94/582725694.db2.gz DRVNZLXWSXRKGL-UHFFFAOYSA-N 1 0 348.447 -0.105 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000842037089 584056676 /nfs/dbraw/zinc/05/66/76/584056676.db2.gz VGMFJLIPLQDDKF-HNNXBMFYSA-N 1 0 333.436 -0.530 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000842154535 584057677 /nfs/dbraw/zinc/05/76/77/584057677.db2.gz USLJDBNGBALOOY-INIZCTEOSA-N 1 0 347.463 -0.221 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000842154549 584057682 /nfs/dbraw/zinc/05/76/82/584057682.db2.gz USLJDBNGBALOOY-MRXNPFEDSA-N 1 0 347.463 -0.221 20 10 EBCDRO [NH3+]CC(=O)NCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173953 584089669 /nfs/dbraw/zinc/08/96/69/584089669.db2.gz GFERSXHQMRGOIS-UHFFFAOYSA-N 1 0 334.420 -0.414 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1F ZINC000861750532 584337138 /nfs/dbraw/zinc/33/71/38/584337138.db2.gz SDCHQZBFWAXYDL-LBPRGKRZSA-N 1 0 338.383 -0.388 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911122218 650152735 /nfs/dbraw/zinc/15/27/35/650152735.db2.gz AYCDTQPQGDAQBM-SFHVURJKSA-N 1 0 348.447 -0.011 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CNOC3)cc2)CC1 ZINC000911364950 650175202 /nfs/dbraw/zinc/17/52/02/650175202.db2.gz JFCNLFJVGISILQ-AWEZNQCLSA-N 1 0 347.419 -0.926 20 10 EBCDRO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc([O-])[nH]c(=O)c4)CC3)[C@@H]2C1 ZINC001269919418 815638225 /nfs/dbraw/zinc/63/82/25/815638225.db2.gz QCFKCDOCSIUGEU-VXGBXAGGSA-N 1 0 346.387 -0.225 20 10 EBCDRO C[NH+](C)CCN1CCC12CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272972791 816563418 /nfs/dbraw/zinc/56/34/18/816563418.db2.gz XIODHSAVYKMADI-INIZCTEOSA-N 1 0 349.431 -0.151 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)cc1C ZINC001129749244 828663548 /nfs/dbraw/zinc/66/35/48/828663548.db2.gz BQCDFPCNCHLYET-LBPRGKRZSA-N 1 0 334.376 -0.192 20 10 EBCDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NC(N)=O ZINC001153037984 831203357 /nfs/dbraw/zinc/20/33/57/831203357.db2.gz XUFQKXVARAHBHX-MRVPVSSYSA-N 1 0 349.351 -0.248 20 10 EBCDRO [NH3+]CCOCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001327864407 840536807 /nfs/dbraw/zinc/53/68/07/840536807.db2.gz KVLNTJLUKWDVDE-UHFFFAOYSA-N 1 0 341.433 -0.487 20 10 EBCDRO [NH3+]CC(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001329254171 840883980 /nfs/dbraw/zinc/88/39/80/840883980.db2.gz WQUKOXFOZKCGJO-UHFFFAOYSA-N 1 0 338.383 -0.522 20 10 EBCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001331781469 841496598 /nfs/dbraw/zinc/49/65/98/841496598.db2.gz YMUKYQNBTUNTGS-AAEUAGOBSA-N 1 0 346.387 -0.659 20 10 EBCDRO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482735657 1126264631 /nfs/dbraw/zinc/26/46/31/1126264631.db2.gz QGESIHMJQHBBNQ-ZDUSSCGKSA-N 1 0 338.408 -0.501 20 10 EBCDRO COCCN1C(=O)C(=CNNc2ccc(F)c[nH+]2)C(=O)NC1=S ZINC000731371840 582836763 /nfs/dbraw/zinc/83/67/63/582836763.db2.gz OXIWNFQABRXOLD-VQHVLOKHSA-N 1 0 339.352 -0.089 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](O)[C@@H](CO)C3)CC2)cc1 ZINC000839170979 583060692 /nfs/dbraw/zinc/06/06/92/583060692.db2.gz WVLWEHYUIWXMDW-PBHICJAKSA-N 1 0 349.431 -0.371 20 10 EBCDRO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768445873 583314602 /nfs/dbraw/zinc/31/46/02/583314602.db2.gz ISJSXQPUYIHKMJ-ZWNOBZJWSA-N 1 0 328.390 -0.059 20 10 EBCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463340 583315362 /nfs/dbraw/zinc/31/53/62/583315362.db2.gz RPMZTHQXZYNBMS-MFKMUULPSA-N 1 0 328.390 -0.059 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000832280552 583997191 /nfs/dbraw/zinc/99/71/91/583997191.db2.gz PLXINGRBBDJUTG-CYBMUJFWSA-N 1 0 328.438 -0.240 20 10 EBCDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000842035796 584056671 /nfs/dbraw/zinc/05/66/71/584056671.db2.gz IZHMEUJBYLYGTB-IUODEOHRSA-N 1 0 334.420 -0.057 20 10 EBCDRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 ZINC000842092352 584057233 /nfs/dbraw/zinc/05/72/33/584057233.db2.gz LCTBDTXYNXJXSJ-JTQLQIEISA-N 1 0 344.462 -0.072 20 10 EBCDRO CN1CCCc2cc(CNC(=O)C(=O)N(CC[NH3+])CCO)ccc21 ZINC000842150006 584057860 /nfs/dbraw/zinc/05/78/60/584057860.db2.gz KYQMZZFJLPBAJP-UHFFFAOYSA-N 1 0 334.420 -0.535 20 10 EBCDRO COc1ccc(N2CCC(NC(=O)C(=O)NC3C[NH2+]C3)CC2)cc1 ZINC000842185889 584060131 /nfs/dbraw/zinc/06/01/31/584060131.db2.gz ANBCXVNKOSLXJP-UHFFFAOYSA-N 1 0 332.404 -0.132 20 10 EBCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000842191402 584060288 /nfs/dbraw/zinc/06/02/88/584060288.db2.gz LWEXJKGJTMEGPI-UHFFFAOYSA-N 1 0 332.404 -0.429 20 10 EBCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)ccc21 ZINC000861750668 584337184 /nfs/dbraw/zinc/33/71/84/584337184.db2.gz TUSOVHKGYSXOBO-OAHLLOKOSA-N 1 0 346.431 -0.210 20 10 EBCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000861761473 584338164 /nfs/dbraw/zinc/33/81/64/584338164.db2.gz IIWUOFXUMOAMIG-UHFFFAOYSA-N 1 0 334.420 -0.053 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000879533287 584553739 /nfs/dbraw/zinc/55/37/39/584553739.db2.gz LRUYISUUDNBILZ-GASCZTMLSA-N 1 0 344.415 -0.085 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)cc1 ZINC000910992001 650144318 /nfs/dbraw/zinc/14/43/18/650144318.db2.gz KUPUZBSMSYPKRC-UHFFFAOYSA-N 1 0 333.436 -0.610 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CNOC3)cc2)CC1 ZINC000911364951 650175396 /nfs/dbraw/zinc/17/53/96/650175396.db2.gz JFCNLFJVGISILQ-CQSZACIVSA-N 1 0 347.419 -0.926 20 10 EBCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490260 811124728 /nfs/dbraw/zinc/12/47/28/811124728.db2.gz YZQXHTYOGWWXHI-VFZGTOFNSA-N 1 0 337.376 -0.114 20 10 EBCDRO C[N@@H+]1CCN(C(=O)c2cc([O-])[nH]c(=O)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001269919022 815638289 /nfs/dbraw/zinc/63/82/89/815638289.db2.gz GNQCPEMZEVXECO-INIZCTEOSA-N 1 0 334.376 -0.081 20 10 EBCDRO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)cc1C ZINC001284435702 819230628 /nfs/dbraw/zinc/23/06/28/819230628.db2.gz KKQNZTGFOGJXHN-ZDUSSCGKSA-N 1 0 348.407 -0.250 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(CC(N)=O)nn2)cc1 ZINC001118202885 826875368 /nfs/dbraw/zinc/87/53/68/826875368.db2.gz HMNILNJUOZEDMW-LBPRGKRZSA-N 1 0 331.380 -0.741 20 10 EBCDRO COc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)c(O)c1OC ZINC001181587432 833167884 /nfs/dbraw/zinc/16/78/84/833167884.db2.gz FUECBACGWOBJTL-UHFFFAOYSA-N 1 0 333.410 -0.105 20 10 EBCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CNC(=O)C3)CC2)cc1 ZINC001335969671 842379710 /nfs/dbraw/zinc/37/97/10/842379710.db2.gz IUCNDOOZXBFRPQ-GOEBONIOSA-N 1 0 348.447 -0.344 20 10 EBCDRO O=C(NCc1c(O)cccc1F)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001342613373 843172146 /nfs/dbraw/zinc/17/21/46/843172146.db2.gz NEEKEYXKIGRRBB-XPTSAGLGSA-N 1 0 328.365 -0.218 20 10 EBCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)cc1C ZINC001486028574 1126999543 /nfs/dbraw/zinc/99/95/43/1126999543.db2.gz VRCCZNNPCOBSRY-LBPRGKRZSA-N 1 0 334.380 -0.592 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC000269286213 379358307 /nfs/dbraw/zinc/35/83/07/379358307.db2.gz IPGKRWSEEKJMEA-NVXWUHKLSA-N 1 0 348.447 -0.344 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000817989453 583732812 /nfs/dbraw/zinc/73/28/12/583732812.db2.gz LWUPYFMXADIZTJ-MRXNPFEDSA-N 1 0 347.463 -0.188 20 10 EBCDRO C[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818677770 583748273 /nfs/dbraw/zinc/74/82/73/583748273.db2.gz VMPUAMWKQOFAGG-ZDUSSCGKSA-N 1 0 334.420 -0.027 20 10 EBCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)COCC[NH3+])cc2)C1 ZINC000827469216 583921586 /nfs/dbraw/zinc/92/15/86/583921586.db2.gz QIFSVNCFDDULQA-CQSZACIVSA-N 1 0 334.420 -0.020 20 10 EBCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861753664 584337586 /nfs/dbraw/zinc/33/75/86/584337586.db2.gz ATBWAWVLNGVJEL-OAHLLOKOSA-N 1 0 344.415 -0.216 20 10 EBCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861761979 584338161 /nfs/dbraw/zinc/33/81/61/584338161.db2.gz PCOSKOTYSQHVEI-CQSZACIVSA-N 1 0 332.404 -0.383 20 10 EBCDRO COc1ccc(N2CCN(C(=O)CNC(=O)C[NH3+])CC2)c(OC)c1 ZINC000877227562 584530219 /nfs/dbraw/zinc/53/02/19/584530219.db2.gz LUNXISBGSLKZMM-UHFFFAOYSA-N 1 0 336.392 -0.573 20 10 EBCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000884698421 584634739 /nfs/dbraw/zinc/63/47/39/584634739.db2.gz NOKINKORRXQPAK-CQSZACIVSA-N 1 0 347.463 -0.234 20 10 EBCDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971444 816563448 /nfs/dbraw/zinc/56/34/48/816563448.db2.gz IZOUNLVNYHHEJR-MRXNPFEDSA-N 1 0 349.431 -0.293 20 10 EBCDRO COc1ccc(-n2nnnc2C[NH2+][C@@H](C)CCNC(=O)C(N)=O)cc1 ZINC001281744980 818273981 /nfs/dbraw/zinc/27/39/81/818273981.db2.gz OHPZBEFAIDHDJQ-JTQLQIEISA-N 1 0 347.379 -0.859 20 10 EBCDRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001131832010 829236947 /nfs/dbraw/zinc/23/69/47/829236947.db2.gz VVOSFHDTZDDAIR-UHFFFAOYSA-N 1 0 344.437 -0.737 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)cc1C ZINC001135443635 829966456 /nfs/dbraw/zinc/96/64/56/829966456.db2.gz BNRJPFANMZUFSZ-UHFFFAOYSA-N 1 0 334.376 -0.239 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNCc3cn(CC(N)=O)nn3)cc2)CC1 ZINC001353030243 832393012 /nfs/dbraw/zinc/39/30/12/832393012.db2.gz NPEXOWXBRQIHJP-UHFFFAOYSA-N 1 0 343.435 -0.195 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](CO)NC(N)=O)cc2)CC1 ZINC001176083803 832656239 /nfs/dbraw/zinc/65/62/39/832656239.db2.gz SUTMRAZHMCYVKU-CQSZACIVSA-N 1 0 335.408 -0.916 20 10 EBCDRO NC(=O)[C@@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(N)=O ZINC001196093742 835346992 /nfs/dbraw/zinc/34/69/92/835346992.db2.gz NOZYLWXMVXJJJI-HUUCEWRRSA-N 1 0 332.404 -0.458 20 10 EBCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CN(C)C(=O)CN2)[NH+](C)C)cc1 ZINC001345648718 843414669 /nfs/dbraw/zinc/41/46/69/843414669.db2.gz ZJSXLRPXOOALDR-JKSUJKDBSA-N 1 0 347.463 -0.098 20 10 EBCDRO O=C1NC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN2C1=O ZINC000091866307 381872996 /nfs/dbraw/zinc/87/29/96/381872996.db2.gz QHIJPVQUYANGHO-MRXNPFEDSA-N 1 0 344.415 -0.334 20 10 EBCDRO C[C@@H](O)CN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898324616 582725730 /nfs/dbraw/zinc/72/57/30/582725730.db2.gz RBFHGUSPALTQBJ-CQSZACIVSA-N 1 0 348.447 -0.106 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842154142 584057886 /nfs/dbraw/zinc/05/78/86/584057886.db2.gz RRDMEMSNONPYFQ-HNNXBMFYSA-N 1 0 334.420 -0.218 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000842277609 584063052 /nfs/dbraw/zinc/06/30/52/584063052.db2.gz LUXIHJCGAITBMX-OAHLLOKOSA-N 1 0 334.420 -0.184 20 10 EBCDRO Cc1nn(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(=O)n1C ZINC000848393884 584156612 /nfs/dbraw/zinc/15/66/12/584156612.db2.gz KPXMLHNVLCJZKP-CQSZACIVSA-N 1 0 332.408 -0.228 20 10 EBCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000851687851 584198893 /nfs/dbraw/zinc/19/88/93/584198893.db2.gz JONAAADYAVKNJR-CHWSQXEVSA-N 1 0 332.404 -0.132 20 10 EBCDRO [NH3+][C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851690869 584199945 /nfs/dbraw/zinc/19/99/45/584199945.db2.gz CEISMYYLKUACMX-AWEZNQCLSA-N 1 0 346.431 -0.177 20 10 EBCDRO CCOC(=O)C1=C(NC(=O)CN2C(=O)CSC2=S)C[NH2+]C1 ZINC001220826936 811257264 /nfs/dbraw/zinc/25/72/64/811257264.db2.gz CCOQDHKCACWQNV-UHFFFAOYSA-N 1 0 329.403 -0.617 20 10 EBCDRO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)cc1C ZINC001284435701 819231112 /nfs/dbraw/zinc/23/11/12/819231112.db2.gz KKQNZTGFOGJXHN-CYBMUJFWSA-N 1 0 348.407 -0.250 20 10 EBCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001328400724 840670792 /nfs/dbraw/zinc/67/07/92/840670792.db2.gz KUWJLIWPQQPGPJ-WCQYABFASA-N 1 0 346.387 -0.659 20 10 EBCDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC001328951914 840796638 /nfs/dbraw/zinc/79/66/38/840796638.db2.gz JDYXIOSVTUJIIC-ZDUSSCGKSA-N 1 0 333.392 -0.337 20 10 EBCDRO CN1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)NCC1=O ZINC001358052391 1131164116 /nfs/dbraw/zinc/16/41/16/1131164116.db2.gz OOLXQLHKYGOVRG-INIZCTEOSA-N 1 0 345.447 -0.515 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCOC3)cc2)CC1 ZINC000897664774 582705953 /nfs/dbraw/zinc/70/59/53/582705953.db2.gz PHQAWHVGWYITIB-HNNXBMFYSA-N 1 0 346.431 -0.040 20 10 EBCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000827468835 583921575 /nfs/dbraw/zinc/92/15/75/583921575.db2.gz DSRSNDLNMVMNCG-HOCLYGCPSA-N 1 0 346.431 -0.007 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000832173632 583996372 /nfs/dbraw/zinc/99/63/72/583996372.db2.gz STUCBRQXPXKGLQ-KRWDZBQOSA-N 1 0 346.431 -0.040 20 10 EBCDRO O=C(NC1C[NH2+]C1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842234382 584061603 /nfs/dbraw/zinc/06/16/03/584061603.db2.gz FMRRGVAHSNQDJR-AWEZNQCLSA-N 1 0 333.388 -0.012 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848930142 584163540 /nfs/dbraw/zinc/16/35/40/584163540.db2.gz OKZPONXVDCYPTO-JKSUJKDBSA-N 1 0 346.431 -0.354 20 10 EBCDRO C[NH2+]CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000851665303 584197110 /nfs/dbraw/zinc/19/71/10/584197110.db2.gz VATLBNUWCMBQQG-UHFFFAOYSA-N 1 0 340.449 -0.060 20 10 EBCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851686504 584198628 /nfs/dbraw/zinc/19/86/28/584198628.db2.gz PCOSKOTYSQHVEI-AWEZNQCLSA-N 1 0 332.404 -0.383 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(C(N)=O)CCOCC2)cc1 ZINC000852494311 584213069 /nfs/dbraw/zinc/21/30/69/584213069.db2.gz ZWUKGQBCPAQWLJ-UHFFFAOYSA-N 1 0 334.420 -0.007 20 10 EBCDRO O=S1(=O)CCN(c2ccc(CN[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925489032 650379636 /nfs/dbraw/zinc/37/96/36/650379636.db2.gz WURQBIORFVAMMZ-OAHLLOKOSA-N 1 0 339.461 -0.001 20 10 EBCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246080399 812563834 /nfs/dbraw/zinc/56/38/34/812563834.db2.gz GMUXIHPLKGWPGA-OLZOCXBDSA-N 1 0 335.404 -0.135 20 10 EBCDRO [NH3+][C@@H]1CCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)C1 ZINC001261482436 812917067 /nfs/dbraw/zinc/91/70/67/812917067.db2.gz MAQCNLBHPNPPAO-CHWSQXEVSA-N 1 0 344.371 -0.905 20 10 EBCDRO CN(CC[N@H+](C)CCO)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001149204030 830614611 /nfs/dbraw/zinc/61/46/11/830614611.db2.gz DYNSPWOYABEVAO-UHFFFAOYSA-N 1 0 345.421 -0.240 20 10 EBCDRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925254 831906002 /nfs/dbraw/zinc/90/60/02/831906002.db2.gz WQRRFEBCIDRNSF-ZDUSSCGKSA-N 1 0 333.388 -0.297 20 10 EBCDRO CN1C(=O)C(=CNNc2[nH+]ncc(N)c2Cl)C(=O)N(C)C1=O ZINC001319183145 838082774 /nfs/dbraw/zinc/08/27/74/838082774.db2.gz DCNUSHVNIOZBSG-UHFFFAOYSA-N 1 0 325.716 -0.437 20 10 EBCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3CNC(=O)C3)CC2)cc1 ZINC001335969669 842379487 /nfs/dbraw/zinc/37/94/87/842379487.db2.gz IUCNDOOZXBFRPQ-GDBMZVCRSA-N 1 0 348.447 -0.344 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](O)C[NH3+])cc2)CC1 ZINC001341929635 843125833 /nfs/dbraw/zinc/12/58/33/843125833.db2.gz XZYCAWDALUPEHN-MRXNPFEDSA-N 1 0 334.420 -0.319 20 10 EBCDRO O=S1(=O)C[C@@H]([NH2+]Cc2ccccc2O)[C@H](N2CCOCC2)C1 ZINC000265216780 379254327 /nfs/dbraw/zinc/25/43/27/379254327.db2.gz FVNSPSSXQUJZOB-ZIAGYGMSSA-N 1 0 326.418 -0.020 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H](C[NH3+])OC)CC2)cc1 ZINC000289817616 380449832 /nfs/dbraw/zinc/44/98/32/380449832.db2.gz AQNZMKRISUAFAL-MRXNPFEDSA-N 1 0 336.436 -0.093 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC(CO)C3)cc2)CC1 ZINC000898323793 582725704 /nfs/dbraw/zinc/72/57/04/582725704.db2.gz XQNLBCJJKYPLMW-UHFFFAOYSA-N 1 0 346.431 -0.495 20 10 EBCDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000762715208 583250672 /nfs/dbraw/zinc/25/06/72/583250672.db2.gz ASOLLIHOUFWJCR-AWEZNQCLSA-N 1 0 343.405 -0.440 20 10 EBCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463335 583315324 /nfs/dbraw/zinc/31/53/24/583315324.db2.gz RPMZTHQXZYNBMS-GXFFZTMASA-N 1 0 328.390 -0.059 20 10 EBCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC3C[NH2+]C3)C2)cc1 ZINC000818678592 583748228 /nfs/dbraw/zinc/74/82/28/583748228.db2.gz YCMZRZXUTKHXJR-LBPRGKRZSA-N 1 0 332.404 -0.274 20 10 EBCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CNC(=O)C[NH3+] ZINC000843489229 584080245 /nfs/dbraw/zinc/08/02/45/584080245.db2.gz JEZXILFUBNXOFR-UHFFFAOYSA-N 1 0 343.767 -0.378 20 10 EBCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000850845203 584189092 /nfs/dbraw/zinc/18/90/92/584189092.db2.gz CVWOSWUSRFWDOM-UHFFFAOYSA-N 1 0 335.408 -0.314 20 10 EBCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000851691325 584200236 /nfs/dbraw/zinc/20/02/36/584200236.db2.gz GYAJEUMEVLBVLR-UHFFFAOYSA-N 1 0 346.431 -0.304 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861751799 584337145 /nfs/dbraw/zinc/33/71/45/584337145.db2.gz ZGFXCYZQDHLHKG-CQSZACIVSA-N 1 0 334.420 -0.218 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1F ZINC000861750531 584337216 /nfs/dbraw/zinc/33/72/16/584337216.db2.gz SDCHQZBFWAXYDL-GFCCVEGCSA-N 1 0 338.383 -0.388 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861751798 584337300 /nfs/dbraw/zinc/33/73/00/584337300.db2.gz ZGFXCYZQDHLHKG-AWEZNQCLSA-N 1 0 334.420 -0.218 20 10 EBCDRO O=C1COC[C@@]2(C[NH2+]Cc3cc4c(cc3O)OCO4)COCCN12 ZINC000865797462 584396497 /nfs/dbraw/zinc/39/64/97/584396497.db2.gz IDCAFOGAISWWAN-MRXNPFEDSA-N 1 0 336.344 -0.162 20 10 EBCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](O)Cc1ccc(O)c(O)c1 ZINC001272971943 816563428 /nfs/dbraw/zinc/56/34/28/816563428.db2.gz MWHUHQXHQDNRSD-VBQJREDUSA-N 1 0 349.431 -0.152 20 10 EBCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCC(N)=O)CC2)cc1 ZINC001120480593 827230660 /nfs/dbraw/zinc/23/06/60/827230660.db2.gz YMKYRYIXVSKRJE-OAHLLOKOSA-N 1 0 336.436 -0.357 20 10 EBCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001161135512 831929564 /nfs/dbraw/zinc/92/95/64/831929564.db2.gz XTQSPWJRYGVJOV-WFASDCNBSA-N 1 0 336.436 -0.075 20 10 EBCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001328400726 840671170 /nfs/dbraw/zinc/67/11/70/840671170.db2.gz KUWJLIWPQQPGPJ-YPMHNXCESA-N 1 0 346.387 -0.659 20 10 EBCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)C1 ZINC001349081381 843810453 /nfs/dbraw/zinc/81/04/53/843810453.db2.gz DJIPWRPOCOSGQC-CYBMUJFWSA-N 1 0 347.419 -0.921 20 10 EBCDRO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001486002225 1126943615 /nfs/dbraw/zinc/94/36/15/1126943615.db2.gz MUFVGWKHUYDSPG-ZDUSSCGKSA-N 1 0 338.408 -0.501 20 10 EBCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)cc1C ZINC001486059423 1127008645 /nfs/dbraw/zinc/00/86/45/1127008645.db2.gz QTIXNTXYVAPNNR-AWEZNQCLSA-N 1 0 333.392 -0.138 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](CO)[C@H](O)C3)CC2)cc1 ZINC000839170987 583060669 /nfs/dbraw/zinc/06/06/69/583060669.db2.gz WVLWEHYUIWXMDW-RHSMWYFYSA-N 1 0 349.431 -0.371 20 10 EBCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CCNC(=O)C3)CC2)cc1 ZINC000779216513 583432327 /nfs/dbraw/zinc/43/23/27/583432327.db2.gz QNNCOOHPYRJBGK-INIZCTEOSA-N 1 0 348.447 -0.390 20 10 EBCDRO CC(=O)N1CCN(c2ccc(CNC(=O)COCC[NH3+])cc2)CC1 ZINC000832173626 583996354 /nfs/dbraw/zinc/99/63/54/583996354.db2.gz SPEHATNBNGHODJ-UHFFFAOYSA-N 1 0 334.420 -0.053 20 10 EBCDRO C[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842202825 584060621 /nfs/dbraw/zinc/06/06/21/584060621.db2.gz LXZMBIZFTTWTKP-CQSZACIVSA-N 1 0 347.463 -0.049 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 ZINC000846663361 584129633 /nfs/dbraw/zinc/12/96/33/584129633.db2.gz GVHQUDSDJUGCSR-CHWSQXEVSA-N 1 0 326.422 -0.440 20 10 EBCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NC1C[NH2+]C1 ZINC000851687808 584198841 /nfs/dbraw/zinc/19/88/41/584198841.db2.gz IPYPLXNSHKDDPO-UHFFFAOYSA-N 1 0 332.404 -0.648 20 10 EBCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)C1 ZINC000852860956 584217952 /nfs/dbraw/zinc/21/79/52/584217952.db2.gz MQJVGEUPLUMBKI-ZDUSSCGKSA-N 1 0 332.404 -0.661 20 10 EBCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000863831302 584379484 /nfs/dbraw/zinc/37/94/84/584379484.db2.gz IARGTHJRTNTGNR-NSHDSACASA-N 1 0 343.405 -0.440 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CC(=O)N(C)C2=O)cc1 ZINC000876506121 584517561 /nfs/dbraw/zinc/51/75/61/584517561.db2.gz FPEGVOPRDYPZAL-CYBMUJFWSA-N 1 0 333.392 -0.237 20 10 EBCDRO CNC(=O)CN(CC(=O)NC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877838672 584534928 /nfs/dbraw/zinc/53/49/28/584534928.db2.gz MRMPOWKXUKDZOW-UHFFFAOYSA-N 1 0 347.463 -0.268 20 10 EBCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246080446 812563484 /nfs/dbraw/zinc/56/34/84/812563484.db2.gz GMUXIHPLKGWPGA-STQMWFEESA-N 1 0 335.404 -0.135 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(CC(N)=O)nn2)cc1 ZINC001118202884 826874682 /nfs/dbraw/zinc/87/46/82/826874682.db2.gz HMNILNJUOZEDMW-GFCCVEGCSA-N 1 0 331.380 -0.741 20 10 EBCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]1O ZINC001206534752 836654879 /nfs/dbraw/zinc/65/48/79/836654879.db2.gz CAKOFEWIRFZZBN-HOCLYGCPSA-N 1 0 339.461 -0.327 20 10 EBCDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001327840211 840530834 /nfs/dbraw/zinc/53/08/34/840530834.db2.gz GINQBMUQEILWON-LBPRGKRZSA-N 1 0 334.420 -0.273 20 10 EBCDRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000265216774 379254705 /nfs/dbraw/zinc/25/47/05/379254705.db2.gz FVNSPSSXQUJZOB-KGLIPLIRSA-N 1 0 326.418 -0.020 20 10 EBCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463343 583315303 /nfs/dbraw/zinc/31/53/03/583315303.db2.gz RPMZTHQXZYNBMS-ZWNOBZJWSA-N 1 0 328.390 -0.059 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000817989451 583732769 /nfs/dbraw/zinc/73/27/69/583732769.db2.gz LWUPYFMXADIZTJ-INIZCTEOSA-N 1 0 347.463 -0.188 20 10 EBCDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 ZINC000842092360 584057329 /nfs/dbraw/zinc/05/73/29/584057329.db2.gz LCTBDTXYNXJXSJ-SNVBAGLBSA-N 1 0 344.462 -0.072 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)N2CCOCC2)cc1 ZINC000842785671 584067021 /nfs/dbraw/zinc/06/70/21/584067021.db2.gz JUUHJXMRHMTCIG-CQSZACIVSA-N 1 0 328.438 -0.081 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2C(=O)CN(C)C2=O)cc1 ZINC000843298754 584075280 /nfs/dbraw/zinc/07/52/80/584075280.db2.gz OZIPALDTGJLXBN-ZDUSSCGKSA-N 1 0 333.392 -0.237 20 10 EBCDRO CN(C)c1ccc(CNC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000844217744 584091390 /nfs/dbraw/zinc/09/13/90/584091390.db2.gz MCHPICARMKRVFM-UHFFFAOYSA-N 1 0 347.463 -0.268 20 10 EBCDRO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000858311411 584286337 /nfs/dbraw/zinc/28/63/37/584286337.db2.gz GKFUPQVKLYBXAA-UHFFFAOYSA-N 1 0 329.378 -0.299 20 10 EBCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861742650 584336727 /nfs/dbraw/zinc/33/67/27/584336727.db2.gz HOOIIAPVILAQRW-SNVBAGLBSA-N 1 0 344.462 -0.154 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CCOCC[NH3+])cc1F ZINC000861750565 584337322 /nfs/dbraw/zinc/33/73/22/584337322.db2.gz STVJKFMHVXZVAX-UHFFFAOYSA-N 1 0 340.399 -0.058 20 10 EBCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CCNCC1=O ZINC000876507005 584517540 /nfs/dbraw/zinc/51/75/40/584517540.db2.gz SOZLUHIZXIEBSL-DOMZBBRYSA-N 1 0 333.436 -0.311 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC000889663292 584687884 /nfs/dbraw/zinc/68/78/84/584687884.db2.gz OADGSOUJKWPCBQ-RDJZCZTQSA-N 1 0 348.447 -0.067 20 10 EBCDRO [NH3+][C@H]1CCCCN(CC(=O)NCCc2cc(O)c(O)cc2O)C1=O ZINC001220115167 810987230 /nfs/dbraw/zinc/98/72/30/810987230.db2.gz IQRSGUAKGBBCOX-NSHDSACASA-N 1 0 337.376 -0.198 20 10 EBCDRO [NH3+][C@H]1CCCCN(CC(=O)NCC(=O)c2ccc(O)c(O)c2)C1=O ZINC001220489824 811124862 /nfs/dbraw/zinc/12/48/62/811124862.db2.gz IQINDGIXAAUNFV-NSHDSACASA-N 1 0 335.360 -0.264 20 10 EBCDRO [NH3+][C@H]1CCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)C1 ZINC001327002738 840267086 /nfs/dbraw/zinc/26/70/86/840267086.db2.gz MAQCNLBHPNPPAO-OLZOCXBDSA-N 1 0 344.371 -0.905 20 10 EBCDRO CNC(=O)C[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001356569823 1130881115 /nfs/dbraw/zinc/88/11/15/1130881115.db2.gz PVKUPCOEIUDTRI-HNNXBMFYSA-N 1 0 336.436 -0.486 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc1 ZINC000269286209 379357267 /nfs/dbraw/zinc/35/72/67/379357267.db2.gz IPGKRWSEEKJMEA-DOTOQJQBSA-N 1 0 348.447 -0.344 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000269309374 379362646 /nfs/dbraw/zinc/36/26/46/379362646.db2.gz VRVSNXZQWLLTQF-QGZVFWFLSA-N 1 0 348.447 -0.078 20 10 EBCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)C[C@H](C)O)cc2=O ZINC000289884488 380451804 /nfs/dbraw/zinc/45/18/04/380451804.db2.gz ROEHZWNTADZDBV-JTQLQIEISA-N 1 0 338.364 -0.213 20 10 EBCDRO O=C1NC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN2C1=O ZINC000091866308 381873198 /nfs/dbraw/zinc/87/31/98/381873198.db2.gz QHIJPVQUYANGHO-INIZCTEOSA-N 1 0 344.415 -0.334 20 10 EBCDRO CN(C)c1ccc([C@H](CNC(=O)CCNC(=O)CO)[NH+](C)C)cc1 ZINC000891245293 582543620 /nfs/dbraw/zinc/54/36/20/582543620.db2.gz CCCQDPYOHUTTPD-HNNXBMFYSA-N 1 0 336.436 -0.030 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000785439388 583497899 /nfs/dbraw/zinc/49/78/99/583497899.db2.gz NYLCZHLSAJFERW-MRXNPFEDSA-N 1 0 347.463 -0.269 20 10 EBCDRO C[NH2+]CCNC(=O)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818677768 583748223 /nfs/dbraw/zinc/74/82/23/583748223.db2.gz VMPUAMWKQOFAGG-CYBMUJFWSA-N 1 0 334.420 -0.027 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCNS(C)(=O)=O)cc1 ZINC000832280217 583997138 /nfs/dbraw/zinc/99/71/38/583997138.db2.gz NYOFXEBTTJVQEL-CYBMUJFWSA-N 1 0 328.438 -0.192 20 10 EBCDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000842035800 584056631 /nfs/dbraw/zinc/05/66/31/584056631.db2.gz IZHMEUJBYLYGTB-WFASDCNBSA-N 1 0 334.420 -0.057 20 10 EBCDRO COCCS(=O)(=O)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298510 584075203 /nfs/dbraw/zinc/07/52/03/584075203.db2.gz NVEXXRBSKHWQIN-AWEZNQCLSA-N 1 0 343.449 -0.070 20 10 EBCDRO COC(=O)c1cn(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nn1 ZINC000843297031 584075353 /nfs/dbraw/zinc/07/53/53/584075353.db2.gz FAHCYKJSIBOULW-CYBMUJFWSA-N 1 0 346.391 -0.053 20 10 EBCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851688297 584199329 /nfs/dbraw/zinc/19/93/29/584199329.db2.gz WIZMIWHHZAWVFK-UHFFFAOYSA-N 1 0 348.447 -0.010 20 10 EBCDRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851690870 584199875 /nfs/dbraw/zinc/19/98/75/584199875.db2.gz CEISMYYLKUACMX-CQSZACIVSA-N 1 0 346.431 -0.177 20 10 EBCDRO CN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851692177 584200599 /nfs/dbraw/zinc/20/05/99/584200599.db2.gz SDPCGYIGSXMKOI-UHFFFAOYSA-N 1 0 334.420 -0.319 20 10 EBCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCNCC1=O ZINC000876507006 584517519 /nfs/dbraw/zinc/51/75/19/584517519.db2.gz SOZLUHIZXIEBSL-IUODEOHRSA-N 1 0 333.436 -0.311 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC000889663282 584687965 /nfs/dbraw/zinc/68/79/65/584687965.db2.gz OADGSOUJKWPCBQ-DOTOQJQBSA-N 1 0 348.447 -0.067 20 10 EBCDRO CC(=O)N1CC(=O)NC[C@@]12CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233013883 812310736 /nfs/dbraw/zinc/31/07/36/812310736.db2.gz USKZJGJVDSLEDD-MRXNPFEDSA-N 1 0 335.360 -0.274 20 10 EBCDRO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(C(=O)[O-])cc1O ZINC001236312099 812516685 /nfs/dbraw/zinc/51/66/85/812516685.db2.gz NOLOVXUJPKHTDN-UHFFFAOYSA-N 1 0 338.408 -0.294 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)cc1C ZINC001132320723 829412894 /nfs/dbraw/zinc/41/28/94/829412894.db2.gz QORHQXASFXKSTA-UHFFFAOYSA-N 1 0 334.420 -0.359 20 10 EBCDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2C(=O)CSC2=S)O1 ZINC001144848133 830168307 /nfs/dbraw/zinc/16/83/07/830168307.db2.gz CSAWUSPJMVHIAV-LNLATYFQSA-N 1 0 347.462 -0.312 20 10 EBCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cc1 ZINC001177237606 832770206 /nfs/dbraw/zinc/77/02/06/832770206.db2.gz FPBLNZYMNXOOCL-UHFFFAOYSA-N 1 0 349.351 -0.247 20 10 EBCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001331781471 841496348 /nfs/dbraw/zinc/49/63/48/841496348.db2.gz YMUKYQNBTUNTGS-WCQYABFASA-N 1 0 346.387 -0.659 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)NCCC(N)=O)CC2)cc1 ZINC000299349483 380572566 /nfs/dbraw/zinc/57/25/66/380572566.db2.gz PXKYUWKWMJOSLC-UHFFFAOYSA-N 1 0 349.435 -0.008 20 10 EBCDRO CN(C)c1ccc([C@@H](CNC(=O)CCNC(=O)CO)[NH+](C)C)cc1 ZINC000891245294 582543569 /nfs/dbraw/zinc/54/35/69/582543569.db2.gz CCCQDPYOHUTTPD-OAHLLOKOSA-N 1 0 336.436 -0.030 20 10 EBCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000827468836 583921607 /nfs/dbraw/zinc/92/16/07/583921607.db2.gz DSRSNDLNMVMNCG-ZBFHGGJFSA-N 1 0 346.431 -0.007 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CCCS2(=O)=O)cc1 ZINC000832281979 583997114 /nfs/dbraw/zinc/99/71/14/583997114.db2.gz WUPLDFZVCMWMDZ-AWEZNQCLSA-N 1 0 340.449 -0.096 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1 ZINC000843296810 584075218 /nfs/dbraw/zinc/07/52/18/584075218.db2.gz GOEGZRZJMBOODJ-JTQLQIEISA-N 1 0 332.364 -0.034 20 10 EBCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3C[NH2+]C3)C2)cc1 ZINC000851688007 584198879 /nfs/dbraw/zinc/19/88/79/584198879.db2.gz OCGCSDHAAKPQGY-ZDUSSCGKSA-N 1 0 332.404 -0.274 20 10 EBCDRO COc1cc(O)c(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1OC ZINC000862536336 584351637 /nfs/dbraw/zinc/35/16/37/584351637.db2.gz HLMILWWGGRHNOH-UHFFFAOYSA-N 1 0 345.421 -0.010 20 10 EBCDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CCNCC1=O ZINC000876507008 584517527 /nfs/dbraw/zinc/51/75/27/584517527.db2.gz SOZLUHIZXIEBSL-WFASDCNBSA-N 1 0 333.436 -0.311 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000910992649 650144401 /nfs/dbraw/zinc/14/44/01/650144401.db2.gz NSSJDOPJQAALIP-QGZVFWFLSA-N 1 0 334.420 -0.319 20 10 EBCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)cc(OC)n1 ZINC001020352237 729143768 /nfs/dbraw/zinc/14/37/68/729143768.db2.gz DRLZAJUZFCTTIX-SRVKXCTJSA-N 1 0 334.376 -0.162 20 10 EBCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)cc1C ZINC001278178070 817718505 /nfs/dbraw/zinc/71/85/05/817718505.db2.gz AJBIEOCJCOEVRF-CYBMUJFWSA-N 1 0 333.392 -0.069 20 10 EBCDRO C[N@H+](C1CN(C(=O)CN2C(=O)CSC2=S)C1)[C@H]1CCOC1 ZINC001144850614 830169457 /nfs/dbraw/zinc/16/94/57/830169457.db2.gz XRUGYBZFJAPAKS-VIFPVBQESA-N 1 0 329.447 -0.222 20 10 EBCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1O ZINC001205370573 836560594 /nfs/dbraw/zinc/56/05/94/836560594.db2.gz WTHVSERCYRCTGA-HUUCEWRRSA-N 1 0 325.434 -0.575 20 10 EBCDRO CC(=O)N[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(N)=O ZINC001328468090 840683062 /nfs/dbraw/zinc/68/30/62/840683062.db2.gz ABVTVRCARDUGSR-KBPBESRZSA-N 1 0 335.408 -0.751 20 10 EBCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)C(N)=O)CC2)cc1 ZINC001335367996 842268299 /nfs/dbraw/zinc/26/82/99/842268299.db2.gz OJINXQZNYJMJKG-DZGCQCFKSA-N 1 0 336.436 -0.359 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCOCC3)cc2)CC1 ZINC000898327898 582725754 /nfs/dbraw/zinc/72/57/54/582725754.db2.gz WZXJBMJFRGLMDI-UHFFFAOYSA-N 1 0 346.431 -0.087 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000817918830 583730963 /nfs/dbraw/zinc/73/09/63/583730963.db2.gz NOYLCMLDVPOFTM-OAHLLOKOSA-N 1 0 334.420 -0.103 20 10 EBCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000827468833 583921490 /nfs/dbraw/zinc/92/14/90/583921490.db2.gz DSRSNDLNMVMNCG-GDBMZVCRSA-N 1 0 346.431 -0.007 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000832280625 583997077 /nfs/dbraw/zinc/99/70/77/583997077.db2.gz PLXINGRBBDJUTG-ZDUSSCGKSA-N 1 0 328.438 -0.240 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCCS2(=O)=O)cc1 ZINC000832281980 583997171 /nfs/dbraw/zinc/99/71/71/583997171.db2.gz WUPLDFZVCMWMDZ-CQSZACIVSA-N 1 0 340.449 -0.096 20 10 EBCDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000842035798 584056742 /nfs/dbraw/zinc/05/67/42/584056742.db2.gz IZHMEUJBYLYGTB-SWLSCSKDSA-N 1 0 334.420 -0.057 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000842151807 584057719 /nfs/dbraw/zinc/05/77/19/584057719.db2.gz CWMWQUXFKPMBPK-OAHLLOKOSA-N 1 0 334.420 -0.137 20 10 EBCDRO COCC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147108 584057760 /nfs/dbraw/zinc/05/77/60/584057760.db2.gz AYOBXCQGAPCSBO-UHFFFAOYSA-N 1 0 340.399 -0.140 20 10 EBCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)ccc21 ZINC000842149551 584057858 /nfs/dbraw/zinc/05/78/58/584057858.db2.gz AACJEYSDQONHAZ-HNNXBMFYSA-N 1 0 346.431 -0.129 20 10 EBCDRO COc1ccc(N2CCCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)cc1 ZINC000842234126 584061628 /nfs/dbraw/zinc/06/16/28/584061628.db2.gz AZQUYPPBNMPLGS-UHFFFAOYSA-N 1 0 332.404 -0.178 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000843298985 584075302 /nfs/dbraw/zinc/07/53/02/584075302.db2.gz RVYXQBWJDGKZKC-GFCCVEGCSA-N 1 0 347.375 -0.711 20 10 EBCDRO COC(=O)c1cn(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nn1 ZINC000843297033 584075323 /nfs/dbraw/zinc/07/53/23/584075323.db2.gz FAHCYKJSIBOULW-ZDUSSCGKSA-N 1 0 346.391 -0.053 20 10 EBCDRO C[NH2+]CCOCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861749540 584337333 /nfs/dbraw/zinc/33/73/33/584337333.db2.gz CATQAPJRNXSHJZ-UHFFFAOYSA-N 1 0 340.399 -0.140 20 10 EBCDRO O=C1COC[C@]2(C[NH2+]Cc3cc4c(cc3O)OCO4)COCCN12 ZINC000865797457 584396493 /nfs/dbraw/zinc/39/64/93/584396493.db2.gz IDCAFOGAISWWAN-INIZCTEOSA-N 1 0 336.344 -0.162 20 10 EBCDRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000911204061 650159568 /nfs/dbraw/zinc/15/95/68/650159568.db2.gz RNZHCCOWNGYEOA-UHFFFAOYSA-N 1 0 332.404 -0.253 20 10 EBCDRO O=S(=O)(NCc1ccc(N2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC000923593666 650346158 /nfs/dbraw/zinc/34/61/58/650346158.db2.gz CHBCFDIKKHIWBW-UHFFFAOYSA-N 1 0 340.449 -0.237 20 10 EBCDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001268910228 814438942 /nfs/dbraw/zinc/43/89/42/814438942.db2.gz XHUZQUWFKFZUNC-UHFFFAOYSA-N 1 0 342.490 -0.448 20 10 EBCDRO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4cc([O-])[nH]c(=O)c4)CC3)[C@H]2C1 ZINC001269919417 815637826 /nfs/dbraw/zinc/63/78/26/815637826.db2.gz QCFKCDOCSIUGEU-RYUDHWBXSA-N 1 0 346.387 -0.225 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1C ZINC001134456516 829772485 /nfs/dbraw/zinc/77/24/85/829772485.db2.gz XXLMBFUGCHVEPB-LBPRGKRZSA-N 1 0 334.376 -0.192 20 10 EBCDRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001350341075 832156560 /nfs/dbraw/zinc/15/65/60/832156560.db2.gz GINQBMUQEILWON-GFCCVEGCSA-N 1 0 334.420 -0.273 20 10 EBCDRO C[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001327839811 840530619 /nfs/dbraw/zinc/53/06/19/840530619.db2.gz BSZRUPNFERCPIR-UHFFFAOYSA-N 1 0 334.420 -0.401 20 10 EBCDRO CCN(CC[NH3+])C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001330199871 841139665 /nfs/dbraw/zinc/13/96/65/841139665.db2.gz APNYUERVHWIYCC-ZDUSSCGKSA-N 1 0 346.387 -0.657 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)cc1F ZINC001345196414 843373171 /nfs/dbraw/zinc/37/31/71/843373171.db2.gz AAOCKMDTTAMRDF-UHFFFAOYSA-N 1 0 336.367 -0.429 20 10 EBCDRO CNC(=O)C[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001356569824 1130880908 /nfs/dbraw/zinc/88/09/08/1130880908.db2.gz PVKUPCOEIUDTRI-OAHLLOKOSA-N 1 0 336.436 -0.486 20 10 EBCDRO C[C@H](O)CN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898324614 582725733 /nfs/dbraw/zinc/72/57/33/582725733.db2.gz RBFHGUSPALTQBJ-AWEZNQCLSA-N 1 0 348.447 -0.106 20 10 EBCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC(=O)N(C)C3)CC2)cc1 ZINC000764998811 583277346 /nfs/dbraw/zinc/27/73/46/583277346.db2.gz UHDKWZWMOYTSTI-INIZCTEOSA-N 1 0 348.447 -0.090 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CS(=O)(=O)N(C)C)cc1 ZINC000832284191 583997073 /nfs/dbraw/zinc/99/70/73/583997073.db2.gz IBOJDEUPMMWILQ-CYBMUJFWSA-N 1 0 328.438 -0.240 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCC(=O)NC2=O)cc1 ZINC000832273831 583997105 /nfs/dbraw/zinc/99/71/05/583997105.db2.gz QTADIYQURBKWEP-CYBMUJFWSA-N 1 0 333.392 -0.190 20 10 EBCDRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282296 583997180 /nfs/dbraw/zinc/99/71/80/583997180.db2.gz YNQJPNRXXKXLMO-GWCFXTLKSA-N 1 0 328.438 -0.194 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000842151800 584057866 /nfs/dbraw/zinc/05/78/66/584057866.db2.gz CWMWQUXFKPMBPK-HNNXBMFYSA-N 1 0 334.420 -0.137 20 10 EBCDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000842171216 584059433 /nfs/dbraw/zinc/05/94/33/584059433.db2.gz QGDTWIGYUHXOBG-MRXNPFEDSA-N 1 0 344.415 -0.135 20 10 EBCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000842190728 584060346 /nfs/dbraw/zinc/06/03/46/584060346.db2.gz HMASLOVAXIYQGO-CZUORRHYSA-N 1 0 346.431 -0.055 20 10 EBCDRO [NH3+]CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000851661856 584197118 /nfs/dbraw/zinc/19/71/18/584197118.db2.gz PYLHUBDJTDYFCS-UHFFFAOYSA-N 1 0 326.422 -0.321 20 10 EBCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000851687853 584198884 /nfs/dbraw/zinc/19/88/84/584198884.db2.gz JONAAADYAVKNJR-QWHCGFSZSA-N 1 0 332.404 -0.132 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@H]3O)cc2)CC1 ZINC000889662749 584687910 /nfs/dbraw/zinc/68/79/10/584687910.db2.gz INCRPDWFECCYRS-HZPDHXFCSA-N 1 0 334.420 -0.003 20 10 EBCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)CCO)[NH+](C)C)cc1 ZINC000934318446 719450605 /nfs/dbraw/zinc/45/06/05/719450605.db2.gz VTWXUNCNHBAWAL-HNNXBMFYSA-N 1 0 336.436 -0.078 20 10 EBCDRO COc1cc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc(O)c1O ZINC001193120042 834797167 /nfs/dbraw/zinc/79/71/67/834797167.db2.gz OPWYSMYAUWJSOC-UHFFFAOYSA-N 1 0 329.313 -0.616 20 10 EBCDRO NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC001333770721 841940684 /nfs/dbraw/zinc/94/06/84/841940684.db2.gz XVNNKKYUYRTZPC-MRXNPFEDSA-N 1 0 346.431 -0.007 20 10 EBCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3CNC(=O)C3)CC2)cc1 ZINC001335969673 842379740 /nfs/dbraw/zinc/37/97/40/842379740.db2.gz IUCNDOOZXBFRPQ-ZBFHGGJFSA-N 1 0 348.447 -0.344 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)C[C@H](O)C[NH3+])CC2)cc1 ZINC001341734313 843109699 /nfs/dbraw/zinc/10/96/99/843109699.db2.gz VUXRUNMKQWRZRZ-HNNXBMFYSA-N 1 0 336.436 -0.357 20 10 EBCDRO CN1C[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)NCC1=O ZINC001358052392 1131164022 /nfs/dbraw/zinc/16/40/22/1131164022.db2.gz OOLXQLHKYGOVRG-MRXNPFEDSA-N 1 0 345.447 -0.515 20 10 EBCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000269920648 379418503 /nfs/dbraw/zinc/41/85/03/379418503.db2.gz RPZMLUGYKZOSHV-AWEZNQCLSA-N 1 0 345.421 -0.194 20 10 EBCDRO CN(C)c1ccc([C@H](CNC(=O)CN2CCNC(=O)C2)[NH+](C)C)cc1 ZINC000891247748 582543624 /nfs/dbraw/zinc/54/36/24/582543624.db2.gz UZJOCJCQJRYXIN-INIZCTEOSA-N 1 0 347.463 -0.097 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1F ZINC000842148837 584057874 /nfs/dbraw/zinc/05/78/74/584057874.db2.gz QMEMPBSDSDHOPD-LBPRGKRZSA-N 1 0 338.383 -0.388 20 10 EBCDRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000842171215 584059464 /nfs/dbraw/zinc/05/94/64/584059464.db2.gz QGDTWIGYUHXOBG-INIZCTEOSA-N 1 0 344.415 -0.135 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000842277608 584062979 /nfs/dbraw/zinc/06/29/79/584062979.db2.gz LUXIHJCGAITBMX-HNNXBMFYSA-N 1 0 334.420 -0.184 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)c(OC)c1 ZINC000884693086 584634652 /nfs/dbraw/zinc/63/46/52/584634652.db2.gz LFNCLIMNEVHGQE-UHFFFAOYSA-N 1 0 348.403 -0.560 20 10 EBCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000884698420 584634729 /nfs/dbraw/zinc/63/47/29/584634729.db2.gz NOKINKORRXQPAK-AWEZNQCLSA-N 1 0 347.463 -0.234 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911122217 650152712 /nfs/dbraw/zinc/15/27/12/650152712.db2.gz AYCDTQPQGDAQBM-GOSISDBHSA-N 1 0 348.447 -0.011 20 10 EBCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC000958732738 722421810 /nfs/dbraw/zinc/42/18/10/722421810.db2.gz QBKSYGPKZGZSMB-YPMHNXCESA-N 1 0 335.364 -0.136 20 10 EBCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC000958732735 722421960 /nfs/dbraw/zinc/42/19/60/722421960.db2.gz QBKSYGPKZGZSMB-AAEUAGOBSA-N 1 0 335.364 -0.136 20 10 EBCDRO CN(C)C(=O)CNC(=O)C1=NO[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]12 ZINC001277441491 817570569 /nfs/dbraw/zinc/57/05/69/817570569.db2.gz LZAABFRKCSMLQT-GXTWGEPZSA-N 1 0 346.387 -0.217 20 10 EBCDRO COc1ccc(-n2nnnc2C[NH2+][C@H](C)CCNC(=O)C(N)=O)cc1 ZINC001317405854 822102336 /nfs/dbraw/zinc/10/23/36/822102336.db2.gz OHPZBEFAIDHDJQ-SNVBAGLBSA-N 1 0 347.379 -0.859 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1C ZINC001151306330 831054655 /nfs/dbraw/zinc/05/46/55/831054655.db2.gz FXXMUOMFQPJLCB-ZDUSSCGKSA-N 1 0 341.433 -0.099 20 10 EBCDRO COc1ccc(-n2nnnc2C[NH2+]CCCNC(=O)CC(N)=O)cc1 ZINC001156017707 831448170 /nfs/dbraw/zinc/44/81/70/831448170.db2.gz DSOBUAQGQFJWQV-UHFFFAOYSA-N 1 0 347.379 -0.858 20 10 EBCDRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN1C(=O)CSC1=S ZINC001157323082 831553665 /nfs/dbraw/zinc/55/36/65/831553665.db2.gz LKYGJGWESUEZFQ-QMMMGPOBSA-N 1 0 332.451 -0.794 20 10 EBCDRO CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1O ZINC000109771181 376606844 /nfs/dbraw/zinc/60/68/44/376606844.db2.gz LFCMHXKURYDTMN-UHFFFAOYSA-N 1 0 332.360 -0.314 20 10 EBCDRO COCCN1C(=O)C(=CNCCC[NH+]2CCCC2)C(=O)NC1=S ZINC000052536864 379202031 /nfs/dbraw/zinc/20/20/31/379202031.db2.gz BYFIFGQGILCQJZ-QXMHVHEDSA-N 1 0 340.449 -0.165 20 10 EBCDRO O=S1(=O)C[C@H]([NH2+]Cc2ccccc2O)[C@H](N2CCOCC2)C1 ZINC000265216777 379254686 /nfs/dbraw/zinc/25/46/86/379254686.db2.gz FVNSPSSXQUJZOB-UONOGXRCSA-N 1 0 326.418 -0.020 20 10 EBCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000817920663 583730861 /nfs/dbraw/zinc/73/08/61/583730861.db2.gz RVOXLWFELUINOV-UHFFFAOYSA-N 1 0 346.431 -0.087 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCNS(C)(=O)=O)cc1 ZINC000832280220 583997217 /nfs/dbraw/zinc/99/72/17/583997217.db2.gz NYOFXEBTTJVQEL-ZDUSSCGKSA-N 1 0 328.438 -0.192 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000842149032 584057747 /nfs/dbraw/zinc/05/77/47/584057747.db2.gz SWHAQBZGOGCEPL-GFCCVEGCSA-N 1 0 338.383 -0.306 20 10 EBCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000842208898 584060592 /nfs/dbraw/zinc/06/05/92/584060592.db2.gz YALNIMLTSDKJLC-UHFFFAOYSA-N 1 0 336.436 -0.071 20 10 EBCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H](O)CO)CC2)cc1 ZINC000843064231 584070970 /nfs/dbraw/zinc/07/09/70/584070970.db2.gz XHZKJNFMCVVQRC-HOTGVXAUSA-N 1 0 339.436 -0.879 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCN(C)S2(=O)=O)cc1 ZINC000843298822 584075226 /nfs/dbraw/zinc/07/52/26/584075226.db2.gz QGNNBQWQORIMFY-ZIAGYGMSSA-N 1 0 340.449 -0.098 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCN(C)S2(=O)=O)cc1 ZINC000843298820 584075385 /nfs/dbraw/zinc/07/53/85/584075385.db2.gz QGNNBQWQORIMFY-KGLIPLIRSA-N 1 0 340.449 -0.098 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 ZINC000846663362 584129666 /nfs/dbraw/zinc/12/96/66/584129666.db2.gz GVHQUDSDJUGCSR-OLZOCXBDSA-N 1 0 326.422 -0.440 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc1 ZINC000846663364 584129683 /nfs/dbraw/zinc/12/96/83/584129683.db2.gz GVHQUDSDJUGCSR-STQMWFEESA-N 1 0 326.422 -0.440 20 10 EBCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851691824 584200181 /nfs/dbraw/zinc/20/01/81/584200181.db2.gz MLJYPLHECRDJDX-ZDUSSCGKSA-N 1 0 348.447 -0.012 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CC(=O)N(C)C2=O)cc1 ZINC000876506122 584517546 /nfs/dbraw/zinc/51/75/46/584517546.db2.gz FPEGVOPRDYPZAL-ZDUSSCGKSA-N 1 0 333.392 -0.237 20 10 EBCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)cc(OC)n1 ZINC001022367397 729485701 /nfs/dbraw/zinc/48/57/01/729485701.db2.gz DRLZAJUZFCTTIX-GRYCIOLGSA-N 1 0 334.376 -0.162 20 10 EBCDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971443 816563253 /nfs/dbraw/zinc/56/32/53/816563253.db2.gz IZOUNLVNYHHEJR-INIZCTEOSA-N 1 0 349.431 -0.293 20 10 EBCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)cc1C ZINC001331682244 841458239 /nfs/dbraw/zinc/45/82/39/841458239.db2.gz IBKLVQLNGDHFBA-CYBMUJFWSA-N 1 0 344.433 -0.385 20 10 EBCDRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1cccc(O)c1O)C2 ZINC001269687081 1126110066 /nfs/dbraw/zinc/11/00/66/1126110066.db2.gz SJVMIKJZVXILJH-UHFFFAOYSA-N 1 0 349.387 -0.287 20 10 EBCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC2=O)cc1C ZINC001486023539 1126975203 /nfs/dbraw/zinc/97/52/03/1126975203.db2.gz TWJXWCSXFYMTHP-UONOGXRCSA-N 1 0 335.404 -0.294 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)[C@H](C[NH3+])OC)CC2)cc1 ZINC000289817615 380449519 /nfs/dbraw/zinc/44/95/19/380449519.db2.gz AQNZMKRISUAFAL-INIZCTEOSA-N 1 0 336.436 -0.093 20 10 EBCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463331 583315138 /nfs/dbraw/zinc/31/51/38/583315138.db2.gz RPMZTHQXZYNBMS-GWCFXTLKSA-N 1 0 328.390 -0.059 20 10 EBCDRO CN1C(=O)C(=CNNc2ccc(-n3ccnc3)n[nH+]2)C(=O)N(C)C1=O ZINC000794700059 583585155 /nfs/dbraw/zinc/58/51/55/583585155.db2.gz OUAFQURGAPFGSP-UHFFFAOYSA-N 1 0 342.319 -0.487 20 10 EBCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCC3C[NH2+]C3)C2)cc1 ZINC000818677191 583748199 /nfs/dbraw/zinc/74/81/99/583748199.db2.gz QWVOAYILPCEMGE-ZDUSSCGKSA-N 1 0 346.431 -0.027 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000831728684 583990733 /nfs/dbraw/zinc/99/07/33/583990733.db2.gz IGWMOKSWLSKFGA-GASCZTMLSA-N 1 0 344.415 -0.085 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000842036765 584056602 /nfs/dbraw/zinc/05/66/02/584056602.db2.gz XDNDWLWFJMLYOC-HNNXBMFYSA-N 1 0 334.420 -0.055 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1 ZINC000843296812 584075237 /nfs/dbraw/zinc/07/52/37/584075237.db2.gz GOEGZRZJMBOODJ-SNVBAGLBSA-N 1 0 332.364 -0.034 20 10 EBCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2nc3n(n2)CCCN3)cc1 ZINC000843298368 584075380 /nfs/dbraw/zinc/07/53/80/584075380.db2.gz NVARDSVSUSJQJL-CYBMUJFWSA-N 1 0 329.408 -0.153 20 10 EBCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851692034 584200146 /nfs/dbraw/zinc/20/01/46/584200146.db2.gz PZGFHBKSPAASRY-UHFFFAOYSA-N 1 0 348.447 -0.058 20 10 EBCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851691823 584200193 /nfs/dbraw/zinc/20/01/93/584200193.db2.gz MLJYPLHECRDJDX-CYBMUJFWSA-N 1 0 348.447 -0.012 20 10 EBCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)C1 ZINC000852860955 584218031 /nfs/dbraw/zinc/21/80/31/584218031.db2.gz MQJVGEUPLUMBKI-CYBMUJFWSA-N 1 0 332.404 -0.661 20 10 EBCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861753662 584337513 /nfs/dbraw/zinc/33/75/13/584337513.db2.gz ATBWAWVLNGVJEL-HNNXBMFYSA-N 1 0 344.415 -0.216 20 10 EBCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001278187710 817721792 /nfs/dbraw/zinc/72/17/92/817721792.db2.gz WUXZEZVJKUTIPX-KGLIPLIRSA-N 1 0 335.404 -0.151 20 10 EBCDRO C[N@@H+]1CCCN(CCNC(=O)CN2C(=O)CSC2=S)CC1 ZINC001144848097 830168499 /nfs/dbraw/zinc/16/84/99/830168499.db2.gz BNAYVUWMBMKYCJ-UHFFFAOYSA-N 1 0 330.479 -0.400 20 10 EBCDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2C(=O)CSC2=S)O1 ZINC001144848132 830168526 /nfs/dbraw/zinc/16/85/26/830168526.db2.gz CSAWUSPJMVHIAV-KBVBSXBZSA-N 1 0 347.462 -0.312 20 10 EBCDRO COc1ccc(-n2nnnc2C[NH2+]CCCN(C)C(=O)C(N)=O)cc1 ZINC001322673434 839232143 /nfs/dbraw/zinc/23/21/43/839232143.db2.gz SYEZUGDUYUODFZ-UHFFFAOYSA-N 1 0 347.379 -0.906 20 10 EBCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001327683386 840493535 /nfs/dbraw/zinc/49/35/35/840493535.db2.gz VWPVFCLAJBHYDL-UONOGXRCSA-N 1 0 333.388 -0.372 20 10 EBCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)cc1C ZINC001486059424 1127008590 /nfs/dbraw/zinc/00/85/90/1127008590.db2.gz QTIXNTXYVAPNNR-CQSZACIVSA-N 1 0 333.392 -0.138 20 10 EBCDRO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C(N)=O)O1 ZINC000122103678 376796405 /nfs/dbraw/zinc/79/64/05/376796405.db2.gz HSCMWZMOZFCFMX-DOMZBBRYSA-N 1 0 334.420 -0.057 20 10 EBCDRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000903967616 582823909 /nfs/dbraw/zinc/82/39/09/582823909.db2.gz DLHGLSCLYUQOPA-LLVKDONJSA-N 1 0 328.390 -0.013 20 10 EBCDRO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768445871 583314589 /nfs/dbraw/zinc/31/45/89/583314589.db2.gz ISJSXQPUYIHKMJ-MFKMUULPSA-N 1 0 328.390 -0.059 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000842149033 584057740 /nfs/dbraw/zinc/05/77/40/584057740.db2.gz SWHAQBZGOGCEPL-LBPRGKRZSA-N 1 0 338.383 -0.306 20 10 EBCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H](O)CO)CC2)cc1 ZINC000843064235 584070939 /nfs/dbraw/zinc/07/09/39/584070939.db2.gz XHZKJNFMCVVQRC-JKSUJKDBSA-N 1 0 339.436 -0.879 20 10 EBCDRO COCCS(=O)(=O)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298511 584075418 /nfs/dbraw/zinc/07/54/18/584075418.db2.gz NVEXXRBSKHWQIN-CQSZACIVSA-N 1 0 343.449 -0.070 20 10 EBCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000851686588 584198706 /nfs/dbraw/zinc/19/87/06/584198706.db2.gz PWGOYWIXPUEJNA-ZDUSSCGKSA-N 1 0 334.420 -0.137 20 10 EBCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233485463 812311512 /nfs/dbraw/zinc/31/15/12/812311512.db2.gz WQWQWXROTPTSHU-MRXNPFEDSA-N 1 0 335.360 -0.274 20 10 EBCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233485462 812312820 /nfs/dbraw/zinc/31/28/20/812312820.db2.gz WQWQWXROTPTSHU-INIZCTEOSA-N 1 0 335.360 -0.274 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1F ZINC001261382100 812900023 /nfs/dbraw/zinc/90/00/23/812900023.db2.gz AXJDCFZVNNCMDD-UHFFFAOYSA-N 1 0 338.383 -0.052 20 10 EBCDRO CCOC(=O)[C@@H](N)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001262044766 813029284 /nfs/dbraw/zinc/02/92/84/813029284.db2.gz VROSPNYUZCIZMC-HNNXBMFYSA-N 1 0 334.420 -0.055 20 10 EBCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001268909851 814438686 /nfs/dbraw/zinc/43/86/86/814438686.db2.gz PVJWTIZGCXLANC-PHIMTYICSA-N 1 0 342.490 -0.307 20 10 EBCDRO C[N@@H+]1CCN(C(=O)c2cc([O-])[nH]c(=O)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001269919023 815638005 /nfs/dbraw/zinc/63/80/05/815638005.db2.gz GNQCPEMZEVXECO-MRXNPFEDSA-N 1 0 334.376 -0.081 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)cc1C ZINC001152420793 831161385 /nfs/dbraw/zinc/16/13/85/831161385.db2.gz JKTWVZFKBNCAFK-UHFFFAOYSA-N 1 0 346.391 -0.400 20 10 EBCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001328400721 840670633 /nfs/dbraw/zinc/67/06/33/840670633.db2.gz KUWJLIWPQQPGPJ-AAEUAGOBSA-N 1 0 346.387 -0.659 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)[C@H](CO)C3)CC2)cc1 ZINC000839170989 583060782 /nfs/dbraw/zinc/06/07/82/583060782.db2.gz WVLWEHYUIWXMDW-WMLDXEAASA-N 1 0 349.431 -0.371 20 10 EBCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000827468834 583921525 /nfs/dbraw/zinc/92/15/25/583921525.db2.gz DSRSNDLNMVMNCG-GOEBONIOSA-N 1 0 346.431 -0.007 20 10 EBCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000842153555 584057864 /nfs/dbraw/zinc/05/78/64/584057864.db2.gz MYAGLFIGQIXZOA-UHFFFAOYSA-N 1 0 347.463 -0.301 20 10 EBCDRO COc1ccc(N2CCN(CCNC(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000842152503 584057868 /nfs/dbraw/zinc/05/78/68/584057868.db2.gz ILBPAHUMDHNXMP-UHFFFAOYSA-N 1 0 349.435 -0.992 20 10 EBCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851687403 584198901 /nfs/dbraw/zinc/19/89/01/584198901.db2.gz ADCOQYYHMLCZBL-CYBMUJFWSA-N 1 0 348.447 -0.025 20 10 EBCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc(CO)nn3)CC2)cc1 ZINC000881420551 584573666 /nfs/dbraw/zinc/57/36/66/584573666.db2.gz YQWGGLZYYWLBNO-MRXNPFEDSA-N 1 0 347.419 -0.038 20 10 EBCDRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000911204025 650159847 /nfs/dbraw/zinc/15/98/47/650159847.db2.gz QOSGMYQNQQQFOB-SHTZXODSSA-N 1 0 346.431 -0.007 20 10 EBCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CC3)C2)cc1 ZINC000911506842 650189199 /nfs/dbraw/zinc/18/91/99/650189199.db2.gz SBYCNRPVYDZYNQ-GFCCVEGCSA-N 1 0 332.404 -0.002 20 10 EBCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047644784 734296794 /nfs/dbraw/zinc/29/67/94/734296794.db2.gz PTFLTHAYOMUHSY-STQMWFEESA-N 1 0 335.364 -0.042 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)cc1C ZINC001130554141 828881447 /nfs/dbraw/zinc/88/14/47/828881447.db2.gz XPPGVEJATOQLCH-UHFFFAOYSA-N 1 0 348.447 -0.017 20 10 EBCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508519 830165986 /nfs/dbraw/zinc/16/59/86/830165986.db2.gz PIDOLVNVQHIBFO-INIZCTEOSA-N 1 0 335.360 -0.274 20 10 EBCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)cc1 ZINC001153047726 831203076 /nfs/dbraw/zinc/20/30/76/831203076.db2.gz KJCRCTRTBUWADN-LLVKDONJSA-N 1 0 346.347 -0.026 20 10 EBCDRO C[C@H]([NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NC(N)=O ZINC001153037985 831203680 /nfs/dbraw/zinc/20/36/80/831203680.db2.gz XUFQKXVARAHBHX-QMMMGPOBSA-N 1 0 349.351 -0.248 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)cc1F ZINC001325756633 839930927 /nfs/dbraw/zinc/93/09/27/839930927.db2.gz YMMRWXRAIANGDL-UHFFFAOYSA-N 1 0 338.383 -0.100 20 10 EBCDRO C[NH2+]CCN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001327004362 840267154 /nfs/dbraw/zinc/26/71/54/840267154.db2.gz UYEGMZVLSYMDAU-CYBMUJFWSA-N 1 0 346.387 -0.787 20 10 EBCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)C1 ZINC001349081382 843810477 /nfs/dbraw/zinc/81/04/77/843810477.db2.gz DJIPWRPOCOSGQC-ZDUSSCGKSA-N 1 0 347.419 -0.921 20 10 EBCDRO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001486002218 1126943718 /nfs/dbraw/zinc/94/37/18/1126943718.db2.gz MUFVGWKHUYDSPG-CYBMUJFWSA-N 1 0 338.408 -0.501 20 10 EBCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cc1C ZINC001485980642 1126945831 /nfs/dbraw/zinc/94/58/31/1126945831.db2.gz WUXZEZVJKUTIPX-ZIAGYGMSSA-N 1 0 335.404 -0.151 20 10 EBCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)C[C@@H](C)O)cc2=O ZINC000289884490 380451477 /nfs/dbraw/zinc/45/14/77/380451477.db2.gz ROEHZWNTADZDBV-SNVBAGLBSA-N 1 0 338.364 -0.213 20 10 EBCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC(=O)N(C)C3)CC2)cc1 ZINC000764998824 583277470 /nfs/dbraw/zinc/27/74/70/583277470.db2.gz UHDKWZWMOYTSTI-MRXNPFEDSA-N 1 0 348.447 -0.090 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)c(=O)[nH]c2=O)cc1 ZINC000832300579 583997397 /nfs/dbraw/zinc/99/73/97/583997397.db2.gz ZMFKCGPRMCBWSS-ZDUSSCGKSA-N 1 0 331.376 -0.018 20 10 EBCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000842192382 584060338 /nfs/dbraw/zinc/06/03/38/584060338.db2.gz RPYLFBATVUNQSB-CQSZACIVSA-N 1 0 346.431 -0.040 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000843298356 584075360 /nfs/dbraw/zinc/07/53/60/584075360.db2.gz MOHHEAPZMGCNKG-AWEZNQCLSA-N 1 0 345.403 -0.191 20 10 EBCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861742649 584336683 /nfs/dbraw/zinc/33/66/83/584336683.db2.gz HOOIIAPVILAQRW-JTQLQIEISA-N 1 0 344.462 -0.154 20 10 EBCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861814524 584340030 /nfs/dbraw/zinc/34/00/30/584340030.db2.gz NXBWVUWKCATWKG-OAHLLOKOSA-N 1 0 346.431 -0.040 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCON)cc2)CC1 ZINC000911365634 650175259 /nfs/dbraw/zinc/17/52/59/650175259.db2.gz MUYPBRAYFUBJIW-UHFFFAOYSA-N 1 0 349.435 -0.549 20 10 EBCDRO Cc1cc(C)c(CNC(=O)CN(CC[NH3+])S(C)(=O)=O)c(O)c1 ZINC001220825973 811256796 /nfs/dbraw/zinc/25/67/96/811256796.db2.gz WHPUFMLAZIWSMY-UHFFFAOYSA-N 1 0 329.422 -0.154 20 10 EBCDRO COc1ccc(N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)cc1F ZINC001261383527 812901474 /nfs/dbraw/zinc/90/14/74/812901474.db2.gz OLXKUSFNYQLHRS-LLVKDONJSA-N 1 0 338.383 -0.054 20 10 EBCDRO COCC(=O)NCCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001153985313 831298655 /nfs/dbraw/zinc/29/86/55/831298655.db2.gz NVZQTOXJLVCTKJ-UHFFFAOYSA-N 1 0 334.380 -0.087 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)CN3C(=O)CNC3=O)cc2)CC1 ZINC001330804570 841275724 /nfs/dbraw/zinc/27/57/24/841275724.db2.gz CFIPMHOFMLICTR-UHFFFAOYSA-N 1 0 345.403 -0.394 20 10 EBCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)cc1C ZINC001331682245 841458571 /nfs/dbraw/zinc/45/85/71/841458571.db2.gz IBKLVQLNGDHFBA-ZDUSSCGKSA-N 1 0 344.433 -0.385 20 10 EBCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)C(N)=O)CC2)cc1 ZINC001335367997 842268250 /nfs/dbraw/zinc/26/82/50/842268250.db2.gz OJINXQZNYJMJKG-ZFWWWQNUSA-N 1 0 336.436 -0.359 20 10 EBCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cc1C ZINC001485980641 1126945710 /nfs/dbraw/zinc/94/57/10/1126945710.db2.gz WUXZEZVJKUTIPX-UONOGXRCSA-N 1 0 335.404 -0.151 20 10 EBCDRO CN(CCO)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898325062 582725686 /nfs/dbraw/zinc/72/56/86/582725686.db2.gz XOPVGPNAGGKRFE-UHFFFAOYSA-N 1 0 334.420 -0.495 20 10 EBCDRO C[NH+]1CCN(c2ccc(CN3CCN(CC(N)=O)C(=O)C3)cc2)CC1 ZINC000839169066 583060666 /nfs/dbraw/zinc/06/06/66/583060666.db2.gz FCJKNMBXFPWKTM-UHFFFAOYSA-N 1 0 345.447 -0.432 20 10 EBCDRO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282300 583997109 /nfs/dbraw/zinc/99/71/09/583997109.db2.gz YNQJPNRXXKXLMO-GXFFZTMASA-N 1 0 328.438 -0.194 20 10 EBCDRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282303 583997201 /nfs/dbraw/zinc/99/72/01/583997201.db2.gz YNQJPNRXXKXLMO-MFKMUULPSA-N 1 0 328.438 -0.194 20 10 EBCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC3C[NH2+]C3)C2)cc1 ZINC000851688006 584198889 /nfs/dbraw/zinc/19/88/89/584198889.db2.gz OCGCSDHAAKPQGY-CYBMUJFWSA-N 1 0 332.404 -0.274 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)CN(CC[NH3+])C[C@H](O)CO)cc1 ZINC000852753635 584215670 /nfs/dbraw/zinc/21/56/70/584215670.db2.gz FHBOBTWCOKIGBZ-INIZCTEOSA-N 1 0 338.452 -0.675 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000861801971 584339341 /nfs/dbraw/zinc/33/93/41/584339341.db2.gz CAQCAZZIWCBINN-CQSZACIVSA-N 1 0 334.420 -0.184 20 10 EBCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3cc(CO)nn3)CC2)cc1 ZINC000881420550 584573656 /nfs/dbraw/zinc/57/36/56/584573656.db2.gz YQWGGLZYYWLBNO-INIZCTEOSA-N 1 0 347.419 -0.038 20 10 EBCDRO COc1ccc(N2CCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000320082559 649995721 /nfs/dbraw/zinc/99/57/21/649995721.db2.gz WFEXYEWXMNFBLA-UHFFFAOYSA-N 1 0 340.449 -0.033 20 10 EBCDRO O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC001118957840 827035340 /nfs/dbraw/zinc/03/53/40/827035340.db2.gz QKZIHZORTGMHJW-QWHCGFSZSA-N 1 0 331.372 -0.488 20 10 EBCDRO CC(=O)N[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(N)=O ZINC001328468092 840683638 /nfs/dbraw/zinc/68/36/38/840683638.db2.gz ABVTVRCARDUGSR-KGLIPLIRSA-N 1 0 335.408 -0.751 20 10 EBCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000903967617 582824061 /nfs/dbraw/zinc/82/40/61/582824061.db2.gz DLHGLSCLYUQOPA-NSHDSACASA-N 1 0 328.390 -0.013 20 10 EBCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)ccc21 ZINC000842150396 584057829 /nfs/dbraw/zinc/05/78/29/584057829.db2.gz QXAWNDLIJLQYBK-OAHLLOKOSA-N 1 0 346.431 -0.210 20 10 EBCDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000842190185 584060333 /nfs/dbraw/zinc/06/03/33/584060333.db2.gz BPJCAMXLDXVDBI-CQSZACIVSA-N 1 0 346.431 -0.040 20 10 EBCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H](O)CO)CC2)cc1 ZINC000843064229 584070843 /nfs/dbraw/zinc/07/08/43/584070843.db2.gz XHZKJNFMCVVQRC-CVEARBPZSA-N 1 0 339.436 -0.879 20 10 EBCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000851686587 584198676 /nfs/dbraw/zinc/19/86/76/584198676.db2.gz PWGOYWIXPUEJNA-CYBMUJFWSA-N 1 0 334.420 -0.137 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@@H]3O)cc2)CC1 ZINC000889658644 584687900 /nfs/dbraw/zinc/68/79/00/584687900.db2.gz INCRPDWFECCYRS-CVEARBPZSA-N 1 0 334.420 -0.003 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000889663291 584687992 /nfs/dbraw/zinc/68/79/92/584687992.db2.gz OADGSOUJKWPCBQ-NVXWUHKLSA-N 1 0 348.447 -0.067 20 10 EBCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CNC(N)=O)CC2)cc1 ZINC000920430151 650311493 /nfs/dbraw/zinc/31/14/93/650311493.db2.gz PEDPSMJYTMNFTJ-UHFFFAOYSA-N 1 0 349.435 -0.008 20 10 EBCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)cc(OC)n1 ZINC001022367398 729485681 /nfs/dbraw/zinc/48/56/81/729485681.db2.gz DRLZAJUZFCTTIX-TUAOUCFPSA-N 1 0 334.376 -0.162 20 10 EBCDRO [NH3+][C@@H]1CCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)C1 ZINC001261482437 812917103 /nfs/dbraw/zinc/91/71/03/812917103.db2.gz MAQCNLBHPNPPAO-QWHCGFSZSA-N 1 0 344.371 -0.905 20 10 EBCDRO C[NH+](C)CCN1CC2(CN(C(=O)c3ccc(O)c(O)c3)C2)OCC1=O ZINC001269955182 815650927 /nfs/dbraw/zinc/65/09/27/815650927.db2.gz VKBDBOFBNZCYSB-UHFFFAOYSA-N 1 0 349.387 -0.287 20 10 EBCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC001307785864 821771734 /nfs/dbraw/zinc/77/17/34/821771734.db2.gz RBBBYUJPLPFEJJ-OKILXGFUSA-N 1 0 330.388 -0.427 20 10 EBCDRO NC(=O)[C@@H]1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C(N)=O ZINC001206838366 836680000 /nfs/dbraw/zinc/68/00/00/836680000.db2.gz OVLDOJBYZFGJGV-HZPDHXFCSA-N 1 0 346.431 -0.334 20 10 EBCDRO [NH3+]CCCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001327508592 840439322 /nfs/dbraw/zinc/43/93/22/840439322.db2.gz BXYVIGKLOANCRV-UHFFFAOYSA-N 1 0 334.420 -0.271 20 10 EBCDRO CCN(CC[NH3+])C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001330199870 841139836 /nfs/dbraw/zinc/13/98/36/841139836.db2.gz APNYUERVHWIYCC-CYBMUJFWSA-N 1 0 346.387 -0.657 20 10 EBCDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001332301370 841610597 /nfs/dbraw/zinc/61/05/97/841610597.db2.gz CLALDGVVPHDMEX-UHFFFAOYSA-N 1 0 332.404 -0.354 20 10 EBCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001342095949 843138495 /nfs/dbraw/zinc/13/84/95/843138495.db2.gz IEZNFNCDPFJFNY-CQSZACIVSA-N 1 0 334.420 -0.287 20 10 EBCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)cc1C ZINC001486023540 1126975324 /nfs/dbraw/zinc/97/53/24/1126975324.db2.gz TWJXWCSXFYMTHP-ZIAGYGMSSA-N 1 0 335.404 -0.294 20 10 EBCDRO CC[N@@H+]1CCC[C@@H]1CNC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000299252310 521632866 /nfs/dbraw/zinc/63/28/66/521632866.db2.gz DEZNQLVDBIRJTE-JPQYHBGPSA-N 1 0 340.449 -0.166 20 10 EBCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCOC3)cc2)CC1 ZINC000897664775 582705947 /nfs/dbraw/zinc/70/59/47/582705947.db2.gz PHQAWHVGWYITIB-OAHLLOKOSA-N 1 0 346.431 -0.040 20 10 EBCDRO COCCN1C(=O)C(=CNNc2[nH+]cccc2F)C(=O)NC1=S ZINC000794696699 583584969 /nfs/dbraw/zinc/58/49/69/583584969.db2.gz ATVLNPHEKMCFKY-FPLPWBNLSA-N 1 0 339.352 -0.089 20 10 EBCDRO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282307 583997089 /nfs/dbraw/zinc/99/70/89/583997089.db2.gz YNQJPNRXXKXLMO-ZWNOBZJWSA-N 1 0 328.438 -0.194 20 10 EBCDRO C[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842202824 584060600 /nfs/dbraw/zinc/06/06/00/584060600.db2.gz LXZMBIZFTTWTKP-AWEZNQCLSA-N 1 0 347.463 -0.049 20 10 EBCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000842227054 584060819 /nfs/dbraw/zinc/06/08/19/584060819.db2.gz WVIIDWQYDAYIMW-UHFFFAOYSA-N 1 0 347.463 -0.268 20 10 EBCDRO COc1ccc(N2CCN(C(=O)CN(CC[NH3+])CCO)CC2)cc1 ZINC000844222613 584091612 /nfs/dbraw/zinc/09/16/12/584091612.db2.gz IMSOCTNGQLONDC-UHFFFAOYSA-N 1 0 336.436 -0.403 20 10 EBCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1 ZINC000846663363 584129644 /nfs/dbraw/zinc/12/96/44/584129644.db2.gz GVHQUDSDJUGCSR-QWHCGFSZSA-N 1 0 326.422 -0.440 20 10 EBCDRO Cc1nn(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(=O)n1C ZINC000848393883 584156526 /nfs/dbraw/zinc/15/65/26/584156526.db2.gz KPXMLHNVLCJZKP-AWEZNQCLSA-N 1 0 332.408 -0.228 20 10 EBCDRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851688245 584199298 /nfs/dbraw/zinc/19/92/98/584199298.db2.gz UIENDHPBYOYFQF-UHFFFAOYSA-N 1 0 348.447 -0.010 20 10 EBCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851689584 584199545 /nfs/dbraw/zinc/19/95/45/584199545.db2.gz NXBWVUWKCATWKG-HNNXBMFYSA-N 1 0 346.431 -0.040 20 10 EBCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@H]2CNOC2)[NH+](C)C)cc1 ZINC000911465114 650186529 /nfs/dbraw/zinc/18/65/29/650186529.db2.gz QIZQGSMOOKRSDW-ZFWWWQNUSA-N 1 0 349.435 -0.509 20 10 EBCDRO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(C(=O)[O-])ccc1O ZINC001236311218 812517301 /nfs/dbraw/zinc/51/73/01/812517301.db2.gz GAANMCTZIMQIIX-UHFFFAOYSA-N 1 0 338.408 -0.294 20 10 EBCDRO CCOC(=O)[C@H](N)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001262044767 813029143 /nfs/dbraw/zinc/02/91/43/813029143.db2.gz VROSPNYUZCIZMC-OAHLLOKOSA-N 1 0 334.420 -0.055 20 10 EBCDRO COc1ccc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)cc1C ZINC001150340115 830868325 /nfs/dbraw/zinc/86/83/25/830868325.db2.gz XGPKMWQOXYXJHP-UHFFFAOYSA-N 1 0 334.376 -0.239 20 10 EBCDRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925387 831906525 /nfs/dbraw/zinc/90/65/25/831906525.db2.gz ZQVJLWXMRRFQSF-CABZTGNLSA-N 1 0 337.376 -0.803 20 10 EBCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330184577 841137034 /nfs/dbraw/zinc/13/70/34/841137034.db2.gz RHVBZWMFLFSHLR-CYBMUJFWSA-N 1 0 332.404 -0.404 20 10 EBCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001331781472 841496528 /nfs/dbraw/zinc/49/65/28/841496528.db2.gz YMUKYQNBTUNTGS-YPMHNXCESA-N 1 0 346.387 -0.659 20 10 EBCDRO Cn1nnc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001333605388 841914355 /nfs/dbraw/zinc/91/43/55/841914355.db2.gz DJEWUIOLVZWZDM-UHFFFAOYSA-N 1 0 344.423 -0.039 20 10 EBCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3CNC(=O)C3)CC2)cc1 ZINC001335969672 842379985 /nfs/dbraw/zinc/37/99/85/842379985.db2.gz IUCNDOOZXBFRPQ-HOCLYGCPSA-N 1 0 348.447 -0.344 20 10 EBCDRO