smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@]1(O)Cn2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)C[C@H]1O)C(=O)[N-]C4=O ZINC000043121471 563167560 /nfs/dbraw/zinc/16/75/60/563167560.db2.gz HBMVUALJSJNKQX-BZQUYTCOSA-N -2 3 455.426 1.976 1 5 JDBFHL