smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NS(=O)(=O)c1ccc(NC(=O)C[n+]2ccccc2)cc1 ZINC000103174809 219265527 /nfs/dbraw/zinc/26/55/27/219265527.db2.gz DBAXWOKXCGXANC-UHFFFAOYSA-O 2 1 334.381 -0.215 1 30 EBEFMP