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)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000009968694 569575899 /nfs/dbraw/zinc/57/58/99/569575899.db2.gz RWHNZXLOGFUBST-UHFFFAOYSA-N -2 1 444.896 4.400 10 0 IIAEML Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)[O-])c2)c1 ZINC000003015271 569435535 /nfs/dbraw/zinc/43/55/35/569435535.db2.gz LQRFVIUZJIGNOJ-UHFFFAOYSA-N -2 1 444.896 4.400 10 0 IIAEML