smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[P@](=O)([O-])[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1O ZINC000073197467 205355303 /nfs/dbraw/zinc/35/53/03/205355303.db2.gz MZYFGAIYUXYAOB-RDJZCZTQSA-N -1 2 379.349 2.898 1 10 GFCFLM CCO[P@](=O)([O-])[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1O ZINC000073197468 211125638 /nfs/dbraw/zinc/12/56/38/211125638.db2.gz MZYFGAIYUXYAOB-DOTOQJQBSA-N -1 2 379.349 2.898 1 10 GFCFLM O=C([O-])COc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O ZINC000084668814 222319752 /nfs/dbraw/zinc/31/97/52/222319752.db2.gz QZPUQLPWRDLJGU-UHFFFAOYSA-N -1 2 379.415 2.871 1 10 GFCFLM