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)[O-])cc1S(=O)(=O)[N-]NC(=O)c1ccccc1O ZINC000013028011 956908150 /nfs/dbraw/zinc/90/81/50/956908150.db2.gz PSYMHXGISPYXSB-UHFFFAOYSA-N -2 0 350.352 1.022 50 50 FDGARL O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)ccc1Cl ZINC000012792966 956905353 /nfs/dbraw/zinc/90/53/53/956905353.db2.gz YJWZDMVLJPMKMG-UHFFFAOYSA-N -2 0 370.770 1.367 50 50 FDGARL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)c1C ZINC000013078594 956929899 /nfs/dbraw/zinc/92/98/99/956929899.db2.gz KGHVOCXRTCJFTC-UHFFFAOYSA-N -2 0 364.379 1.331 50 50 FDGARL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1ccccc1 ZINC000013358643 957038654 /nfs/dbraw/zinc/03/86/54/957038654.db2.gz UQQVXMJSJIIITB-UHFFFAOYSA-N -2 0 350.352 1.017 50 50 FDGARL