smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)/C(=N\Nc2ccc3ccccc3c2S(=O)(=O)[O-])C(=O)N1 ZINC000013941873 518669755 /nfs/dbraw/zinc/66/97/55/518669755.db2.gz KRGVLUFQTSDTCZ-UHFFFAOYSA-N -2 2 362.323 1.061 50 30 FDEALL O=C1[N-]C(=O)/C(=N/Nc2ccc3ccccc3c2S(=O)(=O)[O-])C(=O)N1 ZINC000013941873 518669761 /nfs/dbraw/zinc/66/97/61/518669761.db2.gz KRGVLUFQTSDTCZ-UHFFFAOYSA-N -2 2 362.323 1.061 50 30 FDEALL