smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000157107148 525843736 /nfs/dbraw/zinc/84/37/36/525843736.db2.gz ZMAODXLYPIQMEM-XNCJUZBTSA-N -2 1 322.270 -0.154 10 5 DBBEML C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000157107600 525848864 /nfs/dbraw/zinc/84/88/64/525848864.db2.gz ZMAODXLYPIQMEM-SVGQVSJJSA-N -2 1 322.270 -0.154 10 5 DBBEML C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000157107441 525831820 /nfs/dbraw/zinc/83/18/20/525831820.db2.gz ZMAODXLYPIQMEM-YLWLKBPMSA-N -2 1 322.270 -0.154 10 5 DBBEML