smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc([O-])cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1 ZINC000031518081 570950989 /nfs/dbraw/zinc/95/09/89/570950989.db2.gz YDQFJWNPRLHOFT-UHFFFAOYSA-N -2 3 397.369 0.396 40 30 GCEBHL COC(=O)c1ccc([O-])cc1S(=O)(=O)N=C([O-])Nc1nc(C)nc(OC)n1 ZINC000031518081 570950994 /nfs/dbraw/zinc/95/09/94/570950994.db2.gz YDQFJWNPRLHOFT-UHFFFAOYSA-N -2 3 397.369 0.396 40 30 GCEBHL