smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccsc1-c1cc(C(=O)[O-])c2c(ccc3ccccc32)n1 ZINC000000448289 563255630 /nfs/dbraw/zinc/25/56/30/563255630.db2.gz LLROHWVUIUDROT-UHFFFAOYSA-N -1 0 319.385 5.123 50 5 DKBARM O=C([O-])CCCCCC(=O)c1cc2ccccc2c2ccccc12 ZINC000002580180 563309552 /nfs/dbraw/zinc/30/95/52/563309552.db2.gz VBWYJGUMLKCFCY-UHFFFAOYSA-N -1 0 320.388 5.211 50 5 DKBARM