smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc([O-])c([N+](=O)[O-])c3)CC2)cc1 ZINC000034683569 569644531 /nfs/dbraw/zinc/64/45/31/569644531.db2.gz VBFFINUOUJKIFG-UHFFFAOYSA-N -1 1 463.509 5.059 10 5 JKBEMM