smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 ZINC001601330086 970977766 /nfs/dbraw/zinc/97/77/66/970977766.db2.gz KEVLKGMCCLBACS-UHFFFAOYSA-N -1 0 281.224 -1.537 20 50 CAGDRM O=C([O-])C1=NO[C@H](C(=O)NNC(=O)[C@H]2CCCCO2)C1 ZINC001611361432 971006622 /nfs/dbraw/zinc/00/66/22/971006622.db2.gz CZJOBPSTADQWBI-SFYZADRCSA-N -1 0 285.256 -1.068 20 50 CAGDRM CN(C)CC(=O)N[N-]C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736764500 944885424 /nfs/dbraw/zinc/88/54/24/944885424.db2.gz RHRYIEYVRKQAQR-UHFFFAOYSA-N -1 0 290.287 -1.416 20 50 CAGDRM O=C([O-])Cn1ccc(NC(=O)NNC(=O)CO)n1 ZINC001602165643 971159412 /nfs/dbraw/zinc/15/94/12/971159412.db2.gz QGICFIDXBJKHEQ-UHFFFAOYSA-N -1 0 257.206 -1.887 20 50 CAGDRM C[C@@H](C(=O)[O-])C(=O)NNC(=O)N1CCN(C)CC1 ZINC001602804303 971582110 /nfs/dbraw/zinc/58/21/10/971582110.db2.gz GSQWGNZCQQBYNM-SSDOTTSWSA-N -1 0 258.278 -1.305 20 50 CAGDRM C[C@H](C(=O)[O-])C(=O)NNC(=O)N1CCN(C)CC1 ZINC001602804305 971582183 /nfs/dbraw/zinc/58/21/83/971582183.db2.gz GSQWGNZCQQBYNM-ZETCQYMHSA-N -1 0 258.278 -1.305 20 50 CAGDRM C[C@H](C(=O)[O-])C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001602805439 971586229 /nfs/dbraw/zinc/58/62/29/971586229.db2.gz VJDDMESENPERMD-NTSWFWBYSA-N -1 0 278.286 -1.711 20 50 CAGDRM O=C([O-])[C@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCO1 ZINC001595281842 949979086 /nfs/dbraw/zinc/97/90/86/949979086.db2.gz DEWDKAJGJSSVHD-KSBSHMNSSA-N -1 0 285.256 -1.954 20 50 CAGDRM O=C([O-])[C@@]1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCCO1 ZINC001595281837 949979965 /nfs/dbraw/zinc/97/99/65/949979965.db2.gz DEWDKAJGJSSVHD-KBUNVGBDSA-N -1 0 285.256 -1.954 20 50 CAGDRM CC(C)(C(=O)[O-])C(=O)NNC(=O)[C@@H]1COCCO1 ZINC001602836800 971663180 /nfs/dbraw/zinc/66/31/80/971663180.db2.gz NIXVFTMBNNFZKM-LURJTMIESA-N -1 0 260.246 -1.340 20 50 CAGDRM CCN(CCO)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589734297 950518844 /nfs/dbraw/zinc/51/88/44/950518844.db2.gz VRKNJORJYUYSBP-UHFFFAOYSA-N -1 0 283.284 -1.108 20 50 CAGDRM O=C([O-])CCC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001594996690 951087772 /nfs/dbraw/zinc/08/77/72/951087772.db2.gz JGUYNCCQSCVGMQ-ZCFIWIBFSA-N -1 0 293.301 -1.631 20 50 CAGDRM O=C([O-])CCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001594996872 951089311 /nfs/dbraw/zinc/08/93/11/951089311.db2.gz SNWXWSSQYJHGFK-ZCFIWIBFSA-N -1 0 278.286 -1.567 20 50 CAGDRM O=C([O-])COCC(=O)NNC(=O)Cc1ccncc1 ZINC001595107026 951882824 /nfs/dbraw/zinc/88/28/24/951882824.db2.gz JLGBEYLKPHQZPU-UHFFFAOYSA-N -1 0 267.241 -1.127 20 50 CAGDRM O=C([O-])COCC(=O)NNC(=O)c1ccnnc1 ZINC001595107437 951887103 /nfs/dbraw/zinc/88/71/03/951887103.db2.gz YCSIRTMWTZZKAH-UHFFFAOYSA-N -1 0 254.202 -1.661 20 50 CAGDRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NNC(=O)CO ZINC001595138032 952066545 /nfs/dbraw/zinc/06/65/45/952066545.db2.gz DEJHDMUFNRWHRN-UHFFFAOYSA-N -1 0 295.251 -1.608 20 50 CAGDRM O=C([O-])[C@@H](C(=O)NNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001594779286 953615339 /nfs/dbraw/zinc/61/53/39/953615339.db2.gz PHNKNZVRBVIVSD-JGVFFNPUSA-N -1 0 272.257 -1.340 20 50 CAGDRM O=C([O-])[C@@H](C(=O)NNC(=O)[C@H]1COCCO1)C1CC1 ZINC001594779284 953615365 /nfs/dbraw/zinc/61/53/65/953615365.db2.gz PHNKNZVRBVIVSD-HTQZYQBOSA-N -1 0 272.257 -1.340 20 50 CAGDRM O=C([O-])[C@H](C(=O)NNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001594779291 953615380 /nfs/dbraw/zinc/61/53/80/953615380.db2.gz PHNKNZVRBVIVSD-YUMQZZPRSA-N -1 0 272.257 -1.340 20 50 CAGDRM O=C([O-])[C@H]1CN(C(=O)NNC(=O)c2cn[nH]c2)CCO1 ZINC001594782637 953647588 /nfs/dbraw/zinc/64/75/88/953647588.db2.gz CVGOVINWKLHVSQ-SSDOTTSWSA-N -1 0 283.244 -1.451 20 50 CAGDRM O=C([O-])c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)[nH]n1 ZINC001594782685 953647780 /nfs/dbraw/zinc/64/77/80/953647780.db2.gz GNYGCQFVVNBUDL-UHFFFAOYSA-N -1 0 295.255 -1.509 20 50 CAGDRM O=C([O-])[C@@]1(C(=O)NNC(=O)c2ccnnc2)CCCO1 ZINC001594782886 953648553 /nfs/dbraw/zinc/64/85/53/953648553.db2.gz LTOSKZXWVBVYQI-NSHDSACASA-N -1 0 280.240 -1.129 20 50 CAGDRM O=C([O-])[C@]1(C(=O)NNC(=O)c2ccnnc2)CCCO1 ZINC001594782885 953648661 /nfs/dbraw/zinc/64/86/61/953648661.db2.gz LTOSKZXWVBVYQI-LLVKDONJSA-N -1 0 280.240 -1.129 20 50 CAGDRM O=C([O-])[C@]1(C(=O)NNC(=O)c2ccn[nH]2)CCCO1 ZINC001594782876 953648899 /nfs/dbraw/zinc/64/88/99/953648899.db2.gz LMOMIRZVSNSWAO-SNVBAGLBSA-N -1 0 268.229 -1.196 20 50 CAGDRM O=C([O-])C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 ZINC001594830985 953960975 /nfs/dbraw/zinc/96/09/75/953960975.db2.gz BWJBWOLADVXGDE-RXMQYKEDSA-N -1 0 253.218 -1.928 20 50 CAGDRM O=C([O-])C(=O)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC001594831212 953964495 /nfs/dbraw/zinc/96/44/95/953964495.db2.gz KGLCONDCNMXOAJ-UHFFFAOYSA-N -1 0 267.245 -1.159 20 50 CAGDRM CN(NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(N)=O ZINC001593766724 954524012 /nfs/dbraw/zinc/52/40/12/954524012.db2.gz ZNGBJRMDPSLGLY-LURJTMIESA-N -1 0 272.261 -1.649 20 50 CAGDRM CCC(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589424925 954608546 /nfs/dbraw/zinc/60/85/46/954608546.db2.gz GDMQBIBTVPGDKT-UHFFFAOYSA-N -1 0 283.244 -1.536 20 50 CAGDRM COC(=O)C(=O)NNC(=O)NCCCCC(=O)[O-] ZINC001593804129 954878986 /nfs/dbraw/zinc/87/89/86/954878986.db2.gz FWRNWDJODJNSOX-UHFFFAOYSA-N -1 0 261.234 -1.255 20 50 CAGDRM CC[C@@H](CNC(=O)NNC(=O)C(=O)OC)C(=O)[O-] ZINC001589539084 955188628 /nfs/dbraw/zinc/18/86/28/955188628.db2.gz PJYBEAZSSGOALM-YFKPBYRVSA-N -1 0 261.234 -1.399 20 50 CAGDRM CC[C@@H](CNC(=O)NNC(=O)[C@@H]1COCCO1)C(=O)[O-] ZINC001589539473 955190862 /nfs/dbraw/zinc/19/08/62/955190862.db2.gz UZSXKYWEZNHULZ-YUMQZZPRSA-N -1 0 289.288 -1.157 20 50 CAGDRM O=C(CN1CCO[C@H](C(=O)[O-])C1)NNC(=O)C1CC1 ZINC000738465484 955241845 /nfs/dbraw/zinc/24/18/45/955241845.db2.gz WORVNZNQDKGRGB-QMMMGPOBSA-N -1 0 271.273 -1.671 20 50 CAGDRM CC(C)(C)C(=O)NNC(=O)CN1CCO[C@H](C(=O)[O-])C1 ZINC000817797323 955368045 /nfs/dbraw/zinc/36/80/45/955368045.db2.gz VTTBUJYXBJGQMH-QMMMGPOBSA-N -1 0 287.316 -1.035 20 50 CAGDRM C[C@@]1(NNC(=O)NCCC(=O)[O-])CCS(=O)(=O)C1 ZINC000818080627 955385303 /nfs/dbraw/zinc/38/53/03/955385303.db2.gz VHSXLDSWXQYSLE-SECBINFHSA-N -1 0 279.318 -1.158 20 50 CAGDRM O=C([O-])CCCNC(=O)NNC(=O)C(=O)NC1CC1 ZINC000819443070 955445813 /nfs/dbraw/zinc/44/58/13/955445813.db2.gz KEMFOATYPCJSEW-UHFFFAOYSA-N -1 0 272.261 -1.540 20 50 CAGDRM O=C([O-])CCCNC(=O)NNC(=O)C(=O)N1CCCC1 ZINC000819443220 955445871 /nfs/dbraw/zinc/44/58/71/955445871.db2.gz QLNVCEXNBBPQFK-UHFFFAOYSA-N -1 0 286.288 -1.196 20 50 CAGDRM O=C([O-])CCNC(=O)NNC(=O)C(=O)Nc1ccccn1 ZINC000819490250 955447737 /nfs/dbraw/zinc/44/77/37/955447737.db2.gz TVKZIYVOPKSMQQ-UHFFFAOYSA-N -1 0 295.255 -1.175 20 50 CAGDRM O=C([O-])CCNC(=O)NNC(=O)[C@@H]1COCCO1 ZINC000819492612 955449024 /nfs/dbraw/zinc/44/90/24/955449024.db2.gz SIKSVFAMQLNUJU-LURJTMIESA-N -1 0 261.234 -1.793 20 50 CAGDRM O=C([O-])CCNC(=O)NNC(=O)[C@H]1COCCO1 ZINC000819492613 955449051 /nfs/dbraw/zinc/44/90/51/955449051.db2.gz SIKSVFAMQLNUJU-ZCFIWIBFSA-N -1 0 261.234 -1.793 20 50 CAGDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NNC(=O)C(=O)N1CCCC1 ZINC000819846384 955452673 /nfs/dbraw/zinc/45/26/73/955452673.db2.gz BXUUKBGBFFZFMK-LBPRGKRZSA-N -1 0 296.283 -1.239 20 50 CAGDRM C[C@](C#N)(CC(=O)[O-])C(=O)NNC(=O)[C@H]1COCCO1 ZINC000819846744 955453732 /nfs/dbraw/zinc/45/37/32/955453732.db2.gz GHBCTUBGVWTWPJ-RDDDGLTNSA-N -1 0 285.256 -1.446 20 50 CAGDRM COC(=O)NNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001593858137 955519725 /nfs/dbraw/zinc/51/97/25/955519725.db2.gz GSIRSGODJFIQLG-UHFFFAOYSA-N -1 0 269.213 -1.066 20 50 CAGDRM CC(C)NC(=O)C(=O)NNC(=O)CCCC(=O)[O-] ZINC001603068407 972134147 /nfs/dbraw/zinc/13/41/47/972134147.db2.gz KNSGSAXQIGYMEP-UHFFFAOYSA-N -1 0 259.262 -1.087 20 50 CAGDRM CO[C@H](C(=O)[O-])C(=O)NNC(=O)[C@@H]1CCCCO1 ZINC001593909311 955959653 /nfs/dbraw/zinc/95/96/53/955959653.db2.gz WCCUWROYXIDASZ-BQBZGAKWSA-N -1 0 260.246 -1.198 20 50 CAGDRM CO[C@@H](C(=O)[O-])C(=O)NNC(=O)Cc1cc[nH]n1 ZINC001593908189 955950021 /nfs/dbraw/zinc/95/00/21/955950021.db2.gz DLLBBVHJTLHQGQ-SSDOTTSWSA-N -1 0 256.218 -1.801 20 50 CAGDRM CO[C@H](C(=O)[O-])C(=O)NNC(=O)[C@@H]1COCCO1 ZINC001593909218 955958625 /nfs/dbraw/zinc/95/86/25/955958625.db2.gz RXUVLSCSDGFHQD-WDSKDSINSA-N -1 0 262.218 -2.351 20 50 CAGDRM CO[C@H](C(=O)[O-])C(=O)NNC(=O)[C@H]1CCCCO1 ZINC001593909314 955959468 /nfs/dbraw/zinc/95/94/68/955959468.db2.gz WCCUWROYXIDASZ-RQJHMYQMSA-N -1 0 260.246 -1.198 20 50 CAGDRM CO[C@H](C(=O)[O-])C(=O)NNC(=O)c1c[nH]nc1C ZINC001593911627 955971141 /nfs/dbraw/zinc/97/11/41/955971141.db2.gz ORUADECYPPLCAF-LURJTMIESA-N -1 0 256.218 -1.421 20 50 CAGDRM CO[C@](C)(C(=O)[O-])C(=O)NNC(=O)Cc1cc[nH]n1 ZINC001593926414 956130999 /nfs/dbraw/zinc/13/09/99/956130999.db2.gz ICBDLLTZGJIKIX-JTQLQIEISA-N -1 0 270.245 -1.411 20 50 CAGDRM CO[C@@](C)(C(=O)[O-])C(=O)NNC(=O)CN1CCCC1=O ZINC001593926531 956133555 /nfs/dbraw/zinc/13/35/55/956133555.db2.gz JVYSJAZVESEWFG-LLVKDONJSA-N -1 0 287.272 -1.754 20 50 CAGDRM CO[C@](C)(C(=O)[O-])C(=O)NNC(=O)N1CCN(C)CC1 ZINC001593926615 956135099 /nfs/dbraw/zinc/13/50/99/956135099.db2.gz LLXVFKYDMAZFSA-NSHDSACASA-N -1 0 288.304 -1.536 20 50 CAGDRM CO[C@@](C)(C(=O)[O-])C(=O)NNC(=O)c1cc(C)n[nH]1 ZINC001593926821 956136831 /nfs/dbraw/zinc/13/68/31/956136831.db2.gz OSUFLLAGEABKSS-SNVBAGLBSA-N -1 0 270.245 -1.031 20 50 CAGDRM CO[C@](C)(C(=O)[O-])C(=O)NNC(=O)[C@@H]1COCCO1 ZINC001593927340 956142999 /nfs/dbraw/zinc/14/29/99/956142999.db2.gz XYALRJMPRBBDBH-WKEGUHRASA-N -1 0 276.245 -1.961 20 50 CAGDRM C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)[O-] ZINC001589132261 956211676 /nfs/dbraw/zinc/21/16/76/956211676.db2.gz RCJIRPPVPGHWST-YFKPBYRVSA-N -1 0 281.290 -2.064 20 50 CAGDRM C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)C(=O)[O-] ZINC001589132328 956213100 /nfs/dbraw/zinc/21/31/00/956213100.db2.gz UHHQPBMHFDRVBO-RFZPGFLSSA-N -1 0 281.290 -2.208 20 50 CAGDRM C[C@H](O)CN(C)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589153297 956346197 /nfs/dbraw/zinc/34/61/97/956346197.db2.gz ZESKAYXMNHSZMK-QMMMGPOBSA-N -1 0 283.284 -1.110 20 50 CAGDRM O=C(CN[C@]1(C(=O)[O-])CCOC1)NNC(=O)C1CC1 ZINC001594697199 956782882 /nfs/dbraw/zinc/78/28/82/956782882.db2.gz ZASZRFFUBKRBHH-LLVKDONJSA-N -1 0 271.273 -1.623 20 50 CAGDRM O=C([O-])c1ccnc(NC(=O)NNC(=O)CO)c1 ZINC001594698116 956795054 /nfs/dbraw/zinc/79/50/54/956795054.db2.gz WVQHXKFGZVXEBL-UHFFFAOYSA-N -1 0 254.202 -1.075 20 50 CAGDRM O=C([O-])[C@]1(C(=O)NNC(=O)Cc2cc[nH]n2)CCCO1 ZINC001594705414 956838196 /nfs/dbraw/zinc/83/81/96/956838196.db2.gz OMVAWZAZFVTYRQ-LLVKDONJSA-N -1 0 282.256 -1.267 20 50 CAGDRM COCCCNC(=O)NNC(=O)[C@](C)(OC)C(=O)[O-] ZINC001593994593 956868105 /nfs/dbraw/zinc/86/81/05/956868105.db2.gz JZKVHAQYGFAETA-JTQLQIEISA-N -1 0 277.277 -1.157 20 50 CAGDRM COCCN(C)NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001593995583 956889011 /nfs/dbraw/zinc/88/90/11/956889011.db2.gz IWMWGLBGXDAVGK-UHFFFAOYSA-N -1 0 257.250 -1.414 20 50 CAGDRM COCCOCC(=O)NNC(=O)[C@@H](OC)C(=O)[O-] ZINC001594018236 957051899 /nfs/dbraw/zinc/05/18/99/957051899.db2.gz PFAPNUAUSOSBOV-SSDOTTSWSA-N -1 0 264.234 -2.104 20 50 CAGDRM C[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C(=O)[O-] ZINC001327679607 957348713 /nfs/dbraw/zinc/34/87/13/957348713.db2.gz JGMLNULPFZSVGT-RXMQYKEDSA-N -1 0 272.261 -1.684 20 50 CAGDRM C[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)C(=O)[O-] ZINC001327679608 957348851 /nfs/dbraw/zinc/34/88/51/957348851.db2.gz JGMLNULPFZSVGT-YFKPBYRVSA-N -1 0 272.261 -1.684 20 50 CAGDRM C[C@@H](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)C(=O)[O-] ZINC001603183769 972283766 /nfs/dbraw/zinc/28/37/66/972283766.db2.gz FDGSHXKWHPIEKA-WDSKDSINSA-N -1 0 272.261 -1.684 20 50 CAGDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NNC(=O)[C@H]1CCC(=O)N1 ZINC001574824719 957924716 /nfs/dbraw/zinc/92/47/16/957924716.db2.gz DNSPMFKAKSXJIZ-FSDSQADBSA-N -1 0 269.257 -1.477 20 50 CAGDRM O=C([O-])C1(C(=O)NNC(=O)[C@H]2CCC(=O)N2)CCOCC1 ZINC001574825536 957930551 /nfs/dbraw/zinc/93/05/51/957930551.db2.gz WUMGEQIXXFNTDE-SSDOTTSWSA-N -1 0 299.283 -1.706 20 50 CAGDRM O=C(NNC(=O)[C@H]1CCC(=O)N1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001575039504 957965069 /nfs/dbraw/zinc/96/50/69/957965069.db2.gz XWDHXMATOYSKRQ-FSDSQADBSA-N -1 0 284.272 -1.541 20 50 CAGDRM CS(=O)(=O)CC(=O)NNC(=O)C1(C(=O)[O-])CC1 ZINC001594164076 958932990 /nfs/dbraw/zinc/93/29/90/958932990.db2.gz QIXFKEIPVVCYNL-UHFFFAOYSA-N -1 0 264.259 -1.957 20 50 CAGDRM CS(=O)(=O)CC(=O)NNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001594164101 958933129 /nfs/dbraw/zinc/93/31/29/958933129.db2.gz RGBBJWARLITQTH-UHFFFAOYSA-N -1 0 290.297 -1.401 20 50 CAGDRM C[C@@H](C(=O)[O-])C(=O)NNC(=O)C(=O)N1CCCC1 ZINC001588574112 959209051 /nfs/dbraw/zinc/20/90/51/959209051.db2.gz XKTRFEDCBNYIJG-ZCFIWIBFSA-N -1 0 257.246 -1.523 20 50 CAGDRM C[C@H](C(=O)[O-])C(=O)NNC(=O)CN1CCCC1=O ZINC001588574187 959211349 /nfs/dbraw/zinc/21/13/49/959211349.db2.gz ZTMMSSXIGZWABN-LURJTMIESA-N -1 0 257.246 -1.523 20 50 CAGDRM C[C@@H](C(=O)[O-])C(=O)NNc1ccc(C(N)=O)nn1 ZINC001588575329 959216828 /nfs/dbraw/zinc/21/68/28/959216828.db2.gz AYZPQMZETBZCRL-SCSAIBSYSA-N -1 0 253.218 -1.261 20 50 CAGDRM CC(C)(C(=O)[O-])C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001588618576 959533093 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/nfs/dbraw/zinc/63/84/01/978638401.db2.gz LDQOHKKSXJURAH-FSDSQADBSA-N -1 0 290.297 -1.711 20 50 CAGDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)N1CCOCC1 ZINC000739545725 978643904 /nfs/dbraw/zinc/64/39/04/978643904.db2.gz BMGKYHUGSKAACE-NKWVEPMBSA-N -1 0 257.246 -1.220 20 50 CAGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNC(=O)N1CCOCC1 ZINC000739545727 978643954 /nfs/dbraw/zinc/64/39/54/978643954.db2.gz BMGKYHUGSKAACE-RNFRBKRXSA-N -1 0 257.246 -1.220 20 50 CAGDRM C[C@@H](CNC(=O)NNC(=O)C(=O)[O-])CN1CCOCC1 ZINC001592675730 979090753 /nfs/dbraw/zinc/09/07/53/979090753.db2.gz FPWQMIZJKCULOI-QMMMGPOBSA-N -1 0 288.304 -1.630 20 50 CAGDRM C[C@H](CNC(=O)NNC(=O)C(=O)[O-])Cn1cccn1 ZINC001592676551 979095603 /nfs/dbraw/zinc/09/56/03/979095603.db2.gz RAMGUGUDLPTHCY-SSDOTTSWSA-N -1 0 269.261 -1.066 20 50 CAGDRM C[C@H](CO)N(C)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592761439 979350570 /nfs/dbraw/zinc/35/05/70/979350570.db2.gz BKEHNTVVEAYYBL-MRVPVSSYSA-N -1 0 283.284 -1.110 20 50 CAGDRM CC(CS(C)(=O)=O)=NNC(=O)NCC(=O)[O-] ZINC001592814612 979503198 /nfs/dbraw/zinc/50/31/98/979503198.db2.gz UKWQXILGNGWMDC-UHFFFAOYSA-N -1 0 251.264 -1.209 20 50 CAGDRM C[C@@H](C[S@@](C)=O)NC(=O)NNC(=O)C(=O)[O-] ZINC001592822318 979525850 /nfs/dbraw/zinc/52/58/50/979525850.db2.gz KHPGOQFGSPWXQW-FOIQGAMDSA-N -1 0 251.264 -1.832 20 50 CAGDRM C[C@H](C[S@@](C)=O)NC(=O)NNC(=O)C(=O)[O-] ZINC001592822321 979526079 /nfs/dbraw/zinc/52/60/79/979526079.db2.gz KHPGOQFGSPWXQW-SOQXXWAFSA-N -1 0 251.264 -1.832 20 50 CAGDRM C[C@H](Cn1cccn1)NC(=O)NNC(=O)C(=O)[O-] ZINC001592926216 979947517 /nfs/dbraw/zinc/94/75/17/979947517.db2.gz PLBBQMQMYCSWGU-ZCFIWIBFSA-N -1 0 255.234 -1.313 20 50 CAGDRM CCC[C@H](C)C(=O)NCCNC(=O)NNC(=O)C(=O)[O-] ZINC001595566213 981460110 /nfs/dbraw/zinc/46/01/10/981460110.db2.gz BSRIRNOAERRITB-ZETCQYMHSA-N -1 0 288.304 -1.046 20 50 CAGDRM CC[C@@H](C(=O)[O-])C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001594755292 981664682 /nfs/dbraw/zinc/66/46/82/981664682.db2.gz FUTPRRPVBSEGIH-PHDIDXHHSA-N 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ZINC001596462837 984176739 /nfs/dbraw/zinc/17/67/39/984176739.db2.gz GXQJKGXQZYXMPM-UHFFFAOYSA-N -1 0 282.322 -1.196 20 50 CAGDRM CCOC(=O)CCCNC(=O)NNC(=O)C(=O)[O-] ZINC001596603468 984564232 /nfs/dbraw/zinc/56/42/32/984564232.db2.gz FUAFXYYCSWRACF-UHFFFAOYSA-N -1 0 261.234 -1.255 20 50 CAGDRM CC(=O)NNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001589150209 985470379 /nfs/dbraw/zinc/47/03/79/985470379.db2.gz MSXCBMMHFOMCCC-ZETCQYMHSA-N -1 0 257.246 -1.523 20 50 CAGDRM CC(=O)Nc1ccc(CNC(=O)NNC(=O)C(=O)[O-])cn1 ZINC001589191875 985604960 /nfs/dbraw/zinc/60/49/60/985604960.db2.gz WRMCHOGMGORRGX-UHFFFAOYSA-N -1 0 295.255 -1.045 20 50 CAGDRM CCOCC(=O)NNC(=O)NC[C@H](F)C(=O)[O-] ZINC001596861938 985638337 /nfs/dbraw/zinc/63/83/37/985638337.db2.gz PXUKCCYSVAEEDA-YFKPBYRVSA-N -1 0 251.214 -1.224 20 50 CAGDRM C[C@@H]1OCC[C@@H]1C(=O)NNS(=O)(=O)CCC(=O)[O-] ZINC001594642901 986810764 /nfs/dbraw/zinc/81/07/64/986810764.db2.gz AAKRRWYYOSXEEQ-BQBZGAKWSA-N -1 0 280.302 -1.163 20 50 CAGDRM C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COCC(=O)[O-] ZINC001594644492 986833310 /nfs/dbraw/zinc/83/33/10/986833310.db2.gz NGAFVOCHEBEIFR-RQJHMYQMSA-N -1 0 260.246 -1.340 20 50 CAGDRM CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)C(=O)[O-] ZINC001597210220 987131220 /nfs/dbraw/zinc/13/12/20/987131220.db2.gz PCGUIAPKIFBSGZ-YFKPBYRVSA-N -1 0 281.290 -1.775 20 50 CAGDRM CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)C(=O)[O-] ZINC001597210219 987131317 /nfs/dbraw/zinc/13/13/17/987131317.db2.gz PCGUIAPKIFBSGZ-RXMQYKEDSA-N -1 0 281.290 -1.775 20 50 CAGDRM CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)C(=O)[O-] ZINC001590426976 989979252 /nfs/dbraw/zinc/97/92/52/989979252.db2.gz ZLFYDSXOSLIFGJ-GOSISDBHSA-N -1 0 279.318 -1.051 20 50 CAGDRM CC(C)(CNC(=O)NNC(=O)C(=O)[O-])S(C)(=O)=O ZINC001590726433 990517108 /nfs/dbraw/zinc/51/71/08/990517108.db2.gz JFWMKMNEFBGJRP-UHFFFAOYSA-N -1 0 281.290 -1.775 20 50 CAGDRM CC(C)(CNC(=O)NNC(=O)[C@H]1CCC(=O)N1)C(=O)[O-] ZINC001590726626 990519825 /nfs/dbraw/zinc/51/98/25/990519825.db2.gz 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CS(=O)(=O)CC(=O)NNC(=O)CCCCC(=O)[O-] ZINC001599747250 991945205 /nfs/dbraw/zinc/94/52/05/991945205.db2.gz MJFKBSGMYDVUTP-UHFFFAOYSA-N -1 0 280.302 -1.177 20 50 CAGDRM CS(=O)(=O)CC(=O)NNC(=O)CCSCC(=O)[O-] ZINC001599747313 991945919 /nfs/dbraw/zinc/94/59/19/991945919.db2.gz OUPZSXFTERKPST-UHFFFAOYSA-N -1 0 298.342 -1.614 20 50 CAGDRM CS(=O)(=O)CC(=O)NNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599747487 991947458 /nfs/dbraw/zinc/94/74/58/991947458.db2.gz ZCBHAAYXLFCYNA-OLQVQODUSA-N -1 0 278.286 -1.711 20 50 CAGDRM CS(=O)(=O)N1CC[C@@H](NC(=O)NNC(=O)C(=O)[O-])C1 ZINC001599756107 992055896 /nfs/dbraw/zinc/05/58/96/992055896.db2.gz OHSRWGOKFCEENR-RXMQYKEDSA-N -1 0 294.289 -2.565 20 50 CAGDRM CN1C(=O)CC[C@@H](NC(=O)NNC(=O)C(=O)[O-])C1=O ZINC001598549698 992987652 /nfs/dbraw/zinc/98/76/52/992987652.db2.gz SXPBGGNGBIOCAU-SCSAIBSYSA-N -1 0 272.217 -2.451 20 50 CAGDRM COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)[O-])cc1 ZINC001599588788 993649088 /nfs/dbraw/zinc/64/90/88/993649088.db2.gz 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Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cn1 ZINC000739021979 978613285 /nfs/dbraw/zinc/61/32/85/978613285.db2.gz FHJAISUBXKEYQQ-RNFRBKRXSA-N -1 0 252.230 -1.098 20 50 CAGDRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NNC(=O)C1CC1 ZINC000739293432 978626964 /nfs/dbraw/zinc/62/69/64/978626964.db2.gz IZDVUNLAYRGPJT-SFYZADRCSA-N -1 0 271.273 -1.936 20 50 CAGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 ZINC000739453631 978638185 /nfs/dbraw/zinc/63/81/85/978638185.db2.gz KYOWHXHLTKFELT-PHDIDXHHSA-N -1 0 255.230 -1.867 20 50 CAGDRM O=C([O-])[C@H]1C[C@H]1C(=O)NNC(=O)C(=O)NC1CC1 ZINC000739453632 978638211 /nfs/dbraw/zinc/63/82/11/978638211.db2.gz KYOWHXHLTKFELT-RITPCOANSA-N -1 0 255.230 -1.867 20 50 CAGDRM O=C([O-])C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)C1CC1 ZINC000739633911 978647113 /nfs/dbraw/zinc/64/71/13/978647113.db2.gz JHKWOSXLGRGGOI-QMMMGPOBSA-N -1 0 298.299 -2.181 20 50 CAGDRM O=C([O-])NCCC(=O)NNC(=O)C(=O)N1CCCC1 ZINC000739937628 978659127 /nfs/dbraw/zinc/65/91/27/978659127.db2.gz CGIFRYMIPVOFBP-UHFFFAOYSA-N -1 0 272.261 -1.586 20 50 CAGDRM O=C([O-])NCCCC(=O)NNC(=O)C(=O)N1CCCC1 ZINC000739957800 978660704 /nfs/dbraw/zinc/66/07/04/978660704.db2.gz ZUMJDJJUDYMUSZ-UHFFFAOYSA-N -1 0 286.288 -1.196 20 50 CAGDRM C[C@@](CO)(NCC(=O)NNC(=O)C1CC1)C(=O)[O-] ZINC001592750569 979313749 /nfs/dbraw/zinc/31/37/49/979313749.db2.gz SPBBDAGCCKRYMZ-JTQLQIEISA-N -1 0 259.262 -2.031 20 50 CAGDRM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)C(=O)[O-] ZINC001592770371 979382315 /nfs/dbraw/zinc/38/23/15/979382315.db2.gz SPMRRNUMRQYPLO-NKWVEPMBSA-N -1 0 275.261 -1.405 20 50 CAGDRM C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)C(=O)[O-] ZINC001592770373 979382485 /nfs/dbraw/zinc/38/24/85/979382485.db2.gz SPMRRNUMRQYPLO-RQJHMYQMSA-N -1 0 275.261 -1.405 20 50 CAGDRM CC[C@H](C(=O)[O-])C(=O)NNC(=O)C(=O)NC1CC1 ZINC001594755409 981666288 /nfs/dbraw/zinc/66/62/88/981666288.db2.gz JFELFPISLWJBDF-LURJTMIESA-N -1 0 257.246 -1.477 20 50 CAGDRM CCCCn1nccc1NC(=O)C(=O)NNC(=O)C(=O)[O-] ZINC001595810872 982647304 /nfs/dbraw/zinc/64/73/04/982647304.db2.gz SXJLZHFHPHOICA-UHFFFAOYSA-N -1 0 297.271 -1.146 20 50 CAGDRM CCCN1C[C@@H](CNC(=O)NNC(=O)C(=O)[O-])CC1=O ZINC001595902967 982965596 /nfs/dbraw/zinc/96/55/96/982965596.db2.gz VTXKZUSEAQBVBU-SSDOTTSWSA-N -1 0 286.288 -1.340 20 50 CAGDRM C=C(CCC(=O)[O-])C(=O)NNC(=O)[C@@H]1CCC(=O)N1 ZINC001588630617 983745473 /nfs/dbraw/zinc/74/54/73/983745473.db2.gz UCICFDFJIODIFI-ZETCQYMHSA-N -1 0 269.257 -1.167 20 50 CAGDRM C=C(CCC(=O)[O-])C(=O)NNC(=O)[C@H]1CCC(=O)N1 ZINC001588630616 983745589 /nfs/dbraw/zinc/74/55/89/983745589.db2.gz UCICFDFJIODIFI-SSDOTTSWSA-N -1 0 269.257 -1.167 20 50 CAGDRM C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)C(=O)[O-] ZINC001588918134 984569976 /nfs/dbraw/zinc/56/99/76/984569976.db2.gz ZYTBLUIXNRUMIQ-BQBZGAKWSA-N -1 0 257.246 -1.008 20 50 CAGDRM CC(=NNC(=O)[C@H]1CCC(=O)N1)c1cn(CC(=O)[O-])nn1 ZINC001589011365 984990011 /nfs/dbraw/zinc/99/00/11/984990011.db2.gz WCQQSXMETDPIAC-SSDOTTSWSA-N -1 0 294.271 -1.519 20 50 CAGDRM 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