smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc([N+](=O)[O-])c([O-])cc1[O-] ZINC000408854990 560647642 /nfs/dbraw/zinc/64/76/42/560647642.db2.gz LMTMNUMRJPHTII-XCVCLJGOSA-N -3 1 413.298 1.401 40 10 HDCBML COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187878 560688035 /nfs/dbraw/zinc/68/80/35/560688035.db2.gz VLPYZQIMQATTQF-UHFFFAOYSA-N -2 1 412.423 1.887 40 10 HDCBML