smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)[O-])ccc1OC(F)F ZINC000012504724 956903315 /nfs/dbraw/zinc/90/33/15/956903315.db2.gz LZCDRPIXZTWOOM-GHXNOFRVSA-N -1 0 388.330 3.065 50 50 GGGARM COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000002298272 956863980 /nfs/dbraw/zinc/86/39/80/956863980.db2.gz XDCLXSUXUHMIEB-VCHYOVAHSA-N -1 0 394.427 3.404 50 50 GGGARM