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-])CN(C/C=C\Cl)Cc1cc(Cl)ccc1[O-] ZINC000833247786 604674228 /nfs/dbraw/zinc/67/42/28/604674228.db2.gz YMFQKIKQMMPWRW-RJRFIUFISA-N -2 3 290.146 2.685 20 10 CFCDHL CN(C(=O)[O-])c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000737335022 574136443 /nfs/dbraw/zinc/13/64/43/574136443.db2.gz BABUYETUXHHTIJ-UHFFFAOYSA-N -2 3 292.316 2.820 20 10 CFCDHL CN(Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000737493504 574144825 /nfs/dbraw/zinc/14/48/25/574144825.db2.gz BTHDLUMTKOIKJV-HNNXBMFYSA-N -2 3 271.316 2.650 20 10 CFCDHL CN(CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739631849 574241281 /nfs/dbraw/zinc/24/12/81/574241281.db2.gz KKFUOAQIBSVKSN-UHFFFAOYSA-N -2 3 285.299 2.808 20 10 CFCDHL O=C([O-])CN(C/C=C/Cl)Cc1cc(Cl)ccc1[O-] ZINC000833247785 604674286 /nfs/dbraw/zinc/67/42/86/604674286.db2.gz YMFQKIKQMMPWRW-DAFODLJHSA-N -2 3 290.146 2.685 20 10 CFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c(F)c1 ZINC000404884184 775154796 /nfs/dbraw/zinc/15/47/96/775154796.db2.gz RIOVGOHDAXXTNA-UHFFFAOYSA-N -2 3 299.298 2.780 20 10 CFCDHL O=C([O-])[C@@H](OC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000740290276 574246003 /nfs/dbraw/zinc/24/60/03/574246003.db2.gz HYBDUYKAYLVUMQ-NSHDSACASA-N -2 3 296.275 2.576 20 10 CFCDHL O=C1[N-]C(=S)S/C1=C\c1cc(Cl)cc(F)c1[O-] ZINC000768269473 627329646 /nfs/dbraw/zinc/32/96/46/627329646.db2.gz PJCRCVOWELDQNA-UQCOIBPSSA-N -2 3 289.740 2.674 20 10 CFCDHL O=C([O-])c1cc(F)ccc1COC(=O)c1cc([O-])cs1 ZINC000740290312 574246245 /nfs/dbraw/zinc/24/62/45/574246245.db2.gz LBOZQLDONPMVDD-UHFFFAOYSA-N -2 3 296.275 2.648 20 10 CFCDHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc(O)c1[O-] ZINC000805261618 626955183 /nfs/dbraw/zinc/95/51/83/626955183.db2.gz HUPQNNKAUNOVQX-UHFFFAOYSA-N -2 3 297.669 2.848 20 10 CFCDHL O=C([O-])NC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000834220613 605990417 /nfs/dbraw/zinc/99/04/17/605990417.db2.gz QBHJWUDLJNPCCH-NSHDSACASA-N -2 3 298.770 2.668 20 10 CFCDHL O=C([O-])CCc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000739760305 574224313 /nfs/dbraw/zinc/22/43/13/574224313.db2.gz PMMIYUFXRXYSTG-UHFFFAOYSA-N -2 3 291.328 2.723 20 10 CFCDHL O=C([O-])c1ccc(CNCc2c([O-])cccc2Cl)o1 ZINC000740133097 574238922 /nfs/dbraw/zinc/23/89/22/574238922.db2.gz VFSKEBCCJSBIFP-UHFFFAOYSA-N -2 3 281.695 2.627 20 10 CFCDHL O=S(=O)(CCCCF)[N-]c1cc(Cl)c([O-])cc1F ZINC000295195537 199399191 /nfs/dbraw/zinc/39/91/91/199399191.db2.gz LZYMHHQTBIRZJF-UHFFFAOYSA-N -2 3 299.726 2.676 20 10 CFCDHL O=C([O-])c1coc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000756306092 574091936 /nfs/dbraw/zinc/09/19/36/574091936.db2.gz HPRMHALPJKFZFE-UHFFFAOYSA-N -2 3 299.685 2.766 20 10 CFCDHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc(O)c1[O-] ZINC000790938791 629273123 /nfs/dbraw/zinc/27/31/23/629273123.db2.gz UYVOMERFJRQBMW-UHFFFAOYSA-N -2 3 297.669 2.848 20 10 CFCDHL O=C([O-])Nc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000740041497 574233043 /nfs/dbraw/zinc/23/30/43/574233043.db2.gz QNEOBSGLJFHGBU-UHFFFAOYSA-N -2 3 278.289 2.796 20 10 CFCDHL O=C(Nc1cc(Cl)ccc1[O-])c1c([O-])c(O)ccc1F ZINC000789995080 629202783 /nfs/dbraw/zinc/20/27/83/629202783.db2.gz TYIBSBKCRSCCCI-UHFFFAOYSA-N -2 3 297.669 2.848 20 10 CFCDHL O=C([N-]Cc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC000811529067 631577257 /nfs/dbraw/zinc/57/72/57/631577257.db2.gz KKQDRVZOUQDPIB-UHFFFAOYSA-N -2 3 270.062 2.580 20 10 CFCDHL CN(Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000737493507 574144877 /nfs/dbraw/zinc/14/48/77/574144877.db2.gz BTHDLUMTKOIKJV-OAHLLOKOSA-N -2 3 271.316 2.650 20 10 CFCDHL O=C([N-]Cc1cccc(Cl)c1[O-])C(F)(F)C(F)F ZINC000890759613 617836588 /nfs/dbraw/zinc/83/65/88/617836588.db2.gz DWIRFHAOTCUGFE-UHFFFAOYSA-N -2 3 285.624 2.562 20 10 CFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cn1 ZINC000795342623 619564978 /nfs/dbraw/zinc/56/49/78/619564978.db2.gz ABMJOJCNNCJQFG-UHFFFAOYSA-N -2 3 298.751 2.550 20 10 CFCDHL O=C([O-])Nc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000738666930 574179132 /nfs/dbraw/zinc/17/91/32/574179132.db2.gz JFNJFONVGBKDHS-UHFFFAOYSA-N -2 3 278.289 2.796 20 10 CFCDHL O=C([O-])NC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000834220609 605990644 /nfs/dbraw/zinc/99/06/44/605990644.db2.gz QBHJWUDLJNPCCH-LLVKDONJSA-N -2 3 298.770 2.668 20 10 CFCDHL O=C([O-])Cc1cccc(NCc2cccc(F)c2[O-])c1 ZINC000821540007 598212505 /nfs/dbraw/zinc/21/25/05/598212505.db2.gz WGTGZEXYRSBLBS-UHFFFAOYSA-N -2 3 275.279 2.771 20 10 CFCDHL O=C([O-])c1cccc(COC(=O)c2cc([O-])cs2)c1 ZINC000740221563 574243698 /nfs/dbraw/zinc/24/36/98/574243698.db2.gz RRGTUSCVUYLOTC-UHFFFAOYSA-N -2 3 278.285 2.509 20 10 CFCDHL O=S(=O)([N-]c1ccc(O)cc1)c1cccc(Cl)c1[O-] ZINC000753019055 574397184 /nfs/dbraw/zinc/39/71/84/574397184.db2.gz PPYWFXBLLMDKBB-UHFFFAOYSA-N -2 3 299.735 2.552 20 10 CFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1 ZINC000085203944 626039978 /nfs/dbraw/zinc/03/99/78/626039978.db2.gz LSYIQOQRZBJHBB-UHFFFAOYSA-N -2 3 287.337 2.702 20 10 CFCDHL Cc1ccsc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758169270 626579798 /nfs/dbraw/zinc/57/97/98/626579798.db2.gz NDAXPLWTDFKGFF-UHFFFAOYSA-N -2 3 287.337 2.702 20 10 CFCDHL O=C([O-])c1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000740134258 574238909 /nfs/dbraw/zinc/23/89/09/574238909.db2.gz QTJXQLUIRUXLHJ-UHFFFAOYSA-N -2 3 278.285 2.509 20 10 CFCDHL O=C1[N-]C(=S)S/C1=C/c1cc(Cl)cc(F)c1[O-] ZINC000768269444 627329998 /nfs/dbraw/zinc/32/99/98/627329998.db2.gz PJCRCVOWELDQNA-FARCUNLSSA-N -2 3 289.740 2.674 20 10 CFCDHL O=C([O-])[C@H](OC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000740290274 574246142 /nfs/dbraw/zinc/24/61/42/574246142.db2.gz HYBDUYKAYLVUMQ-LLVKDONJSA-N -2 3 296.275 2.576 20 10 CFCDHL