smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000001889452 1066879560 /nfs/dbraw/zinc/87/95/60/1066879560.db2.gz DNPQPVXFQNUWIN-HKWRFOASSA-N 1 2 518.492 3.783 40 10 KHCBLO COc1cc(/C=C2\SC(N3CC[NH+](C)CC3)=NC2=O)ccc1OC(=O)c1ccccc1Br ZINC000024543606 553791027 /nfs/dbraw/zinc/79/10/27/553791027.db2.gz WZIDRKTUDGYQAH-ZHZULCJRSA-N 1 2 516.417 3.895 40 10 KHCBLO COC[C@H]1CCCN1C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N(C)CCc3ccccn3)cc1C[NH2+]CC2=O ZINC000067879130 554534528 /nfs/dbraw/zinc/53/45/28/554534528.db2.gz WHZCLELWJPDENE-BRWNIOCJSA-N 1 2 577.770 3.515 40 10 KHCBLO CN(Cc1cccnc1)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1C[NH2+]CC2=O ZINC000100035335 554188262 /nfs/dbraw/zinc/18/82/62/554188262.db2.gz UUDNJXMDBDPSPH-QWPUVAJCSA-N 1 2 582.749 3.707 40 10 KHCBLO CC(NCC[NH+]1CCN(C(=O)C(C)C)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000100079855 554206475 /nfs/dbraw/zinc/20/64/75/554206475.db2.gz HQABAESNPYASFX-GFMRDNFCSA-N 1 2 516.671 3.711 40 10 KHCBLO O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000102619565 1066885310 /nfs/dbraw/zinc/88/53/10/1066885310.db2.gz XFPHBSLNSAYIQN-ZHZULCJRSA-N 1 2 530.366 3.852 40 10 KHCBLO O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000103766333 555473316 /nfs/dbraw/zinc/47/33/16/555473316.db2.gz USROMDVMJMASOV-UHFFFAOYSA-N 1 2 535.553 3.790 40 10 KHCBLO Cc1ccc2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 ZINC000104195032 571376538 /nfs/dbraw/zinc/37/65/38/571376538.db2.gz UMXCIFPKFZFLIW-CFRMEGHHSA-N 1 2 577.732 3.911 40 10 KHCBLO CCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)SC1=S ZINC000104195036 571376535 /nfs/dbraw/zinc/37/65/35/571376535.db2.gz JTNRSYSPDHJULU-UCQKPKSFSA-N 1 2 563.705 3.665 40 10 KHCBLO COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NCC[NH+]2CCN(C(=O)CCN3C(=O)/C(=C/c4ccccc4OC)SC3=S)CC2)C1=O ZINC000150418167 571486456 /nfs/dbraw/zinc/48/64/56/571486456.db2.gz JQUYPYCNFHIRNQ-PLNZPELQSA-N 1 2 739.967 3.847 40 10 KHCBLO COC(=O)c1ccc(/C=C2/SC(=S)N(CCC(=O)NCC[NH+]3CCN(C(=O)CCCN4C(=O)/C(=C/c5ccc(C(=O)OC)cc5)SC4=S)CC3)C2=O)cc1 ZINC000150419442 571487024 /nfs/dbraw/zinc/48/70/24/571487024.db2.gz NICUBFSGCNQEOY-XWFWGDPBSA-N 1 2 810.014 3.793 40 10 KHCBLO O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC[NH+]1CCN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC000150436287 571496042 /nfs/dbraw/zinc/49/60/42/571496042.db2.gz DHIUDAMUHHIDBN-YJKAXRSRSA-N 1 2 677.946 3.563 40 10 KHCBLO O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NCC[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 ZINC000150447679 571501480 /nfs/dbraw/zinc/50/14/80/571501480.db2.gz PMNKAZWTRVKOJX-SVJPUMPYSA-N 1 2 781.960 3.677 40 10 KHCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223127507 571434367 /nfs/dbraw/zinc/43/43/67/571434367.db2.gz QNDNOALMGHQPFP-FQLXRVMXSA-N 1 2 546.741 3.630 40 10 KHCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223127571 571434335 /nfs/dbraw/zinc/43/43/35/571434335.db2.gz QNDNOALMGHQPFP-WDYNHAJCSA-N 1 2 546.741 3.630 40 10 KHCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223127640 571434297 /nfs/dbraw/zinc/43/42/97/571434297.db2.gz QNDNOALMGHQPFP-URLMMPGGSA-N 1 2 546.741 3.630 40 10 KHCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000223127698 571434309 /nfs/dbraw/zinc/43/43/09/571434309.db2.gz QNDNOALMGHQPFP-VMPREFPWSA-N 1 2 546.741 3.630 40 10 KHCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223146021 571436138 /nfs/dbraw/zinc/43/61/38/571436138.db2.gz BVCKESPAXATLPL-CLJLJLNGSA-N 1 2 505.644 3.523 40 10 KHCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223146081 571436097 /nfs/dbraw/zinc/43/60/97/571436097.db2.gz BVCKESPAXATLPL-FTJBHMTQSA-N 1 2 505.644 3.523 40 10 KHCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223146137 571436122 /nfs/dbraw/zinc/43/61/22/571436122.db2.gz BVCKESPAXATLPL-IZZNHLLZSA-N 1 2 505.644 3.523 40 10 KHCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223146201 571436240 /nfs/dbraw/zinc/43/62/40/571436240.db2.gz BVCKESPAXATLPL-UIOOFZCWSA-N 1 2 505.644 3.523 40 10 KHCBLO COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223146828 571436342 /nfs/dbraw/zinc/43/63/42/571436342.db2.gz CWFWJKUKHGEMLL-CLJLJLNGSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223146884 571436372 /nfs/dbraw/zinc/43/63/72/571436372.db2.gz CWFWJKUKHGEMLL-FTJBHMTQSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223146949 571436409 /nfs/dbraw/zinc/43/64/09/571436409.db2.gz CWFWJKUKHGEMLL-IZZNHLLZSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223147009 571436321 /nfs/dbraw/zinc/43/63/21/571436321.db2.gz CWFWJKUKHGEMLL-UIOOFZCWSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)c([N+](=O)[O-])c1 ZINC000223147091 571436391 /nfs/dbraw/zinc/43/63/91/571436391.db2.gz RBEPRYAZIQQWPN-CLJLJLNGSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)c([N+](=O)[O-])c1 ZINC000223147141 571436385 /nfs/dbraw/zinc/43/63/85/571436385.db2.gz RBEPRYAZIQQWPN-FTJBHMTQSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)c([N+](=O)[O-])c1 ZINC000223147204 571436365 /nfs/dbraw/zinc/43/63/65/571436365.db2.gz RBEPRYAZIQQWPN-IZZNHLLZSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)c([N+](=O)[O-])c1 ZINC000223147252 571436347 /nfs/dbraw/zinc/43/63/47/571436347.db2.gz RBEPRYAZIQQWPN-UIOOFZCWSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223148077 571436508 /nfs/dbraw/zinc/43/65/08/571436508.db2.gz GXQBEUCSEILCAH-CLJLJLNGSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223148141 571436530 /nfs/dbraw/zinc/43/65/30/571436530.db2.gz GXQBEUCSEILCAH-FTJBHMTQSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223148194 571436615 /nfs/dbraw/zinc/43/66/15/571436615.db2.gz GXQBEUCSEILCAH-IZZNHLLZSA-N 1 2 536.658 3.711 40 10 KHCBLO COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223148250 571436577 /nfs/dbraw/zinc/43/65/77/571436577.db2.gz GXQBEUCSEILCAH-UIOOFZCWSA-N 1 2 536.658 3.711 40 10 KHCBLO COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)c1 ZINC000223164447 571439260 /nfs/dbraw/zinc/43/92/60/571439260.db2.gz YQQPZNSPFFJTIF-CLJLJLNGSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)c1 ZINC000223164506 571439299 /nfs/dbraw/zinc/43/92/99/571439299.db2.gz YQQPZNSPFFJTIF-FTJBHMTQSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)c1 ZINC000223164568 571439310 /nfs/dbraw/zinc/43/93/10/571439310.db2.gz YQQPZNSPFFJTIF-IZZNHLLZSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)c1 ZINC000223164621 571439237 /nfs/dbraw/zinc/43/92/37/571439237.db2.gz YQQPZNSPFFJTIF-UIOOFZCWSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223164704 571439278 /nfs/dbraw/zinc/43/92/78/571439278.db2.gz DCOOCWNBMJVLFM-CLJLJLNGSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223164755 571439294 /nfs/dbraw/zinc/43/92/94/571439294.db2.gz DCOOCWNBMJVLFM-FTJBHMTQSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223164817 571439313 /nfs/dbraw/zinc/43/93/13/571439313.db2.gz DCOOCWNBMJVLFM-IZZNHLLZSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223164876 571439403 /nfs/dbraw/zinc/43/94/03/571439403.db2.gz DCOOCWNBMJVLFM-UIOOFZCWSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1 ZINC000223164946 571439343 /nfs/dbraw/zinc/43/93/43/571439343.db2.gz JWBQAKNEYMAUNH-CLJLJLNGSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1 ZINC000223165009 571439352 /nfs/dbraw/zinc/43/93/52/571439352.db2.gz JWBQAKNEYMAUNH-FTJBHMTQSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1 ZINC000223165068 571439422 /nfs/dbraw/zinc/43/94/22/571439422.db2.gz JWBQAKNEYMAUNH-IZZNHLLZSA-N 1 2 519.671 3.580 40 10 KHCBLO COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1 ZINC000223165134 571439347 /nfs/dbraw/zinc/43/93/47/571439347.db2.gz JWBQAKNEYMAUNH-UIOOFZCWSA-N 1 2 519.671 3.580 40 10 KHCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223189211 571442899 /nfs/dbraw/zinc/44/28/99/571442899.db2.gz VAXBQIVUOHKMLB-KAYWLYCHSA-N 1 2 519.671 3.913 40 10 KHCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223189280 571442833 /nfs/dbraw/zinc/44/28/33/571442833.db2.gz VAXBQIVUOHKMLB-SXOMAYOGSA-N 1 2 519.671 3.913 40 10 KHCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223189330 571442910 /nfs/dbraw/zinc/44/29/10/571442910.db2.gz VAXBQIVUOHKMLB-RRPNLBNLSA-N 1 2 519.671 3.913 40 10 KHCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000223189383 571442896 /nfs/dbraw/zinc/44/28/96/571442896.db2.gz VAXBQIVUOHKMLB-SVBPBHIXSA-N 1 2 519.671 3.913 40 10 KHCBLO COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)c1 ZINC000223207224 571445018 /nfs/dbraw/zinc/44/50/18/571445018.db2.gz LWMIOUMVVBFELA-KAYWLYCHSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)c1 ZINC000223207280 571445061 /nfs/dbraw/zinc/44/50/61/571445061.db2.gz LWMIOUMVVBFELA-SXOMAYOGSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)c1 ZINC000223207333 571445036 /nfs/dbraw/zinc/44/50/36/571445036.db2.gz LWMIOUMVVBFELA-RRPNLBNLSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)c1 ZINC000223207380 571444999 /nfs/dbraw/zinc/44/49/99/571444999.db2.gz LWMIOUMVVBFELA-SVBPBHIXSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223207462 571445137 /nfs/dbraw/zinc/44/51/37/571445137.db2.gz XRDYOPCSWSJRIG-KAYWLYCHSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223207519 571445118 /nfs/dbraw/zinc/44/51/18/571445118.db2.gz XRDYOPCSWSJRIG-SXOMAYOGSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223207578 571445110 /nfs/dbraw/zinc/44/51/10/571445110.db2.gz XRDYOPCSWSJRIG-RRPNLBNLSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223207637 571445103 /nfs/dbraw/zinc/44/51/03/571445103.db2.gz XRDYOPCSWSJRIG-SVBPBHIXSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)cc1 ZINC000223207712 571445105 /nfs/dbraw/zinc/44/51/05/571445105.db2.gz IHQATNJLNXLNMF-KAYWLYCHSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)cc1 ZINC000223207777 571445135 /nfs/dbraw/zinc/44/51/35/571445135.db2.gz IHQATNJLNXLNMF-SXOMAYOGSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)cc1 ZINC000223207828 571445113 /nfs/dbraw/zinc/44/51/13/571445113.db2.gz IHQATNJLNXLNMF-RRPNLBNLSA-N 1 2 533.698 3.971 40 10 KHCBLO COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)c2C)cc1 ZINC000223207890 571445143 /nfs/dbraw/zinc/44/51/43/571445143.db2.gz IHQATNJLNXLNMF-SVBPBHIXSA-N 1 2 533.698 3.971 40 10 KHCBLO Cn1c2cc(NC=C3C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c(N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000408535394 572188211 /nfs/dbraw/zinc/18/82/11/572188211.db2.gz SNVZIGSROBSNGA-LHLOQNFPSA-N 1 2 623.758 3.675 40 10 KHCBLO C[NH+]1CCN(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)CC1 ZINC000408535473 572188724 /nfs/dbraw/zinc/18/87/24/572188724.db2.gz SVFFIOSXCILKBA-HMMYKYKNSA-N 1 2 527.463 3.631 40 10 KHCBLO CN(CCc1ccccn1)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NC(C)(C)C)[C@@H](C=CCO2)C1 ZINC000958317642 1066840642 /nfs/dbraw/zinc/84/06/42/1066840642.db2.gz DJAXIOCGDMUUPE-ZEQRLZLVSA-N 1 2 533.717 3.568 40 10 KHCBLO CN(CCc1ccccn1)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3ccccc3)[C@@H](C=CCO2)C1 ZINC000958317651 1066840626 /nfs/dbraw/zinc/84/06/26/1066840626.db2.gz MCQLCJUASPDEFA-NSOVKSMOSA-N 1 2 567.734 3.970 40 10 KHCBLO CN(Cc1cccnc1)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N(C)CCc3ccccn3)cc1C[NH2+]CC2=O ZINC000958317654 1066840676 /nfs/dbraw/zinc/84/06/76/1066840676.db2.gz UUDNJXMDBDPSPH-NSOVKSMOSA-N 1 2 582.749 3.707 40 10 KHCBLO COc1cc2c3c(c1)C(C[NH+]1CCN(c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=C1SC(=S)NC1=O ZINC001554503124 1066877601 /nfs/dbraw/zinc/87/76/01/1066877601.db2.gz GXUUMKUXPDWWEX-GYHWCHFESA-N 1 2 532.691 3.899 40 10 KHCBLO CC1(C)C=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)NC1=O ZINC001554503134 1066877673 /nfs/dbraw/zinc/87/76/73/1066877673.db2.gz HGKQCMQWMRXLOP-BZZOAKBMSA-N 1 2 578.691 3.753 40 10 KHCBLO