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-])C[C@@H](C(=O)[O-])[C@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001673205 555708860 /nfs/dbraw/zinc/70/88/60/555708860.db2.gz PMCXMNWKMHPDIP-LEAFIULHSA-N -2 0 434.491 6.454 40 5 IKBBRL O=C([O-])c1ccccc1SC(Sc1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000001599627 568875934 /nfs/dbraw/zinc/87/59/34/568875934.db2.gz CNMFOMLHPXMJJU-UHFFFAOYSA-N -2 0 441.486 5.574 40 5 IKBBRL CN(C)c1ccc2c(c1)[o+]c1cc(N(C)C)ccc1c2-c1ccc(C(=O)[O-])cc1C(=O)[O-] ZINC000022054130 522254525 /nfs/dbraw/zinc/25/45/25/522254525.db2.gz YMZMTOFQCVHHFB-UHFFFAOYSA-O -2 0 431.468 5.063 40 5 in-vitro IKBBRL O=C([O-])c1ccccc1-c1c2c(cc([O-])c3ccccc32)oc2cc(=O)c3ccccc3c1-2 ZINC000016525398 556614036 /nfs/dbraw/zinc/61/40/36/556614036.db2.gz ZXJFCTOFBYDWAZ-UHFFFAOYSA-N -2 0 432.431 6.275 40 5 IKBBRL O=C([O-])C[C@@H](C(=O)[O-])[C@@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001673204 555708912 /nfs/dbraw/zinc/70/89/12/555708912.db2.gz PMCXMNWKMHPDIP-NAKRPHOHSA-N -2 0 434.491 6.454 40 5 IKBBRL O=C([O-])C[C@H](C(=O)[O-])[C@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001673207 555708953 /nfs/dbraw/zinc/70/89/53/555708953.db2.gz PMCXMNWKMHPDIP-LBNVMWSVSA-N -2 0 434.491 6.454 40 5 IKBBRL COC(=S)[N-]c1ccc2c(c1)nc(-c1ccccc1)c1cc([N-]C(=S)OC)ccc21 ZINC000001866257 555721957 /nfs/dbraw/zinc/72/19/57/555721957.db2.gz UNFFHJCDDQUUFZ-UHFFFAOYSA-N -2 0 433.558 5.741 40 5 IKBBRL O=C([O-])C[C@H](C(=O)[O-])[C@@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001673206 555708905 /nfs/dbraw/zinc/70/89/05/555708905.db2.gz PMCXMNWKMHPDIP-LSYYVWMOSA-N -2 0 434.491 6.454 40 5 IKBBRL O=c1[n-]c(C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)nc([O-])c1[N+](=O)[O-] ZINC000409330091 557064507 /nfs/dbraw/zinc/06/45/07/557064507.db2.gz JOLOHWXHOBCVOL-BENRWUELSA-N -2 0 449.850 5.352 40 5 IKBBRL O=c1[n-]c(C=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)nc([O-])c1[N+](=O)[O-] ZINC000409351432 557079148 /nfs/dbraw/zinc/07/91/48/557079148.db2.gz UKBJEWMFQLHRNH-VAWYXSNFSA-N -2 0 438.443 5.123 40 5 IKBBRL