smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([O-])C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](O)S(=O)(=O)[O-] ZINC000104271287 559159624 /nfs/dbraw/zinc/15/96/24/559159624.db2.gz BAADKBLLDHCFHA-LWMBPPNESA-N -2 3 422.224 -0.060 40 30 HBEBHL O=S(=O)([O-])C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](O)S(=O)(=O)[O-] ZINC000104271294 559159618 /nfs/dbraw/zinc/15/96/18/559159618.db2.gz BAADKBLLDHCFHA-JCYAYHJZSA-N -2 3 422.224 -0.060 40 30 HBEBHL