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(NCc1cccc(C(F)(F)F)n1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001311329017 1069326337 /nfs/dbraw/zinc/32/63/37/1069326337.db2.gz YIJGFIMAPIIRPB-UHFFFAOYSA-N -1 0 457.459 3.679 20 0 JHADRM COc1ccc([C@@H](C)NC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1Br ZINC001311475931 1069396210 /nfs/dbraw/zinc/39/62/10/1069396210.db2.gz AMDKXRGIEPOLAB-SUNKGSAMSA-N -1 0 466.298 3.760 20 0 JHADRM CO[C@@H]1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)CC1(C)C ZINC001306846628 1069657766 /nfs/dbraw/zinc/65/77/66/1069657766.db2.gz QQQPIJTZGQABBY-OAQYLSRUSA-N -1 0 451.592 3.815 20 0 JHADRM C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001312319373 1069860497 /nfs/dbraw/zinc/86/04/97/1069860497.db2.gz FTWLNEHEYXXALC-HFAKWTLXSA-N -1 0 468.289 3.618 20 0 JHADRM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)ccc1[N-]S(=O)(=O)C(F)(F)F 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20 0 JHADRM CC[C@@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1)c1noc(C)n1 ZINC001310099476 1071117217 /nfs/dbraw/zinc/11/72/17/1071117217.db2.gz NKCBPNJODHOQGQ-MRXNPFEDSA-N -1 0 459.528 3.769 20 0 JHADRM CC(C)n1cc2cc(NC(=O)N3CCC([C@@H]4OCC[C@H]4[N-]C(=O)C(F)(F)F)CC3)ccc2n1 ZINC001310359217 1071337053 /nfs/dbraw/zinc/33/70/53/1071337053.db2.gz VCUDUBKICPVLCZ-MOPGFXCFSA-N -1 0 467.492 3.697 20 0 JHADRM CC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(Cl)c1 ZINC001306301417 1068718266 /nfs/dbraw/zinc/71/82/66/1068718266.db2.gz CACQCIUFUZUIJA-IBGZPJMESA-N -1 0 451.957 3.834 20 0 JHADRM Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3c([O-])cc(Cl)cc3Cl)C2)cc1 ZINC001306477296 1069017735 /nfs/dbraw/zinc/01/77/35/1069017735.db2.gz ZOZSTEUPZMRZLK-CQSZACIVSA-N -1 0 457.379 3.838 20 0 JHADRM O=C(Nc1cccc(S(=O)(=O)[N-]c2ncccn2)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC001310570190 1069023963 /nfs/dbraw/zinc/02/39/63/1069023963.db2.gz QYDYTBQRXPHDOS-UHFFFAOYSA-N -1 0 455.515 3.656 20 0 JHADRM CC(=O)c1nc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)sc1C ZINC001310764728 1069154082 /nfs/dbraw/zinc/15/40/82/1069154082.db2.gz XLLKEEHATGSDQE-GJZGRUSLSA-N -1 0 472.464 3.862 20 0 JHADRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)N[C@@H]3CCCC[C@@H]3F)ccc2OC)cc1 ZINC001310797915 1069167742 /nfs/dbraw/zinc/16/77/42/1069167742.db2.gz RVTDWYPKHXTMGS-ZWKOTPCHSA-N -1 0 451.520 3.907 20 0 JHADRM O=C([N-][C@H]1CN(C(=O)Nc2cccc3[nH]c(=O)oc32)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001310837866 1069186890 /nfs/dbraw/zinc/18/68/90/1069186890.db2.gz UHQGXDMPHQRVPZ-BBRMVZONSA-N -1 0 466.391 3.741 20 0 JHADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)CC(C)(C)C)ccc1Cl ZINC001306574205 1069241169 /nfs/dbraw/zinc/24/11/69/1069241169.db2.gz NKPHDMDVCNPSJY-HNNXBMFYSA-N -1 0 454.976 3.676 20 0 JHADRM CC[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)c2)C[C@H](C)O1 ZINC001306585803 1069252316 /nfs/dbraw/zinc/25/23/16/1069252316.db2.gz RCKLEHHFHFGPPO-HOCLYGCPSA-N -1 0 452.960 3.789 20 0 JHADRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCOCC1 ZINC000009509820 562956449 /nfs/dbraw/zinc/95/64/49/562956449.db2.gz LTCZBGZHKVZCEZ-UHFFFAOYSA-N -1 0 487.603 3.955 20 0 JHADRM Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])C3)c1 ZINC001164804196 721601859 /nfs/dbraw/zinc/60/18/59/721601859.db2.gz WYTLSECMMQBGAE-QRWLVFNGSA-N -1 0 452.889 3.900 20 0 JHADRM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001164999910 722222033 /nfs/dbraw/zinc/22/20/33/722222033.db2.gz TXIYKIMYRSBIFQ-IBGZPJMESA-N -1 0 476.911 3.953 20 0 JHADRM