smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216795895 569879370 /nfs/dbraw/zinc/87/93/70/569879370.db2.gz IHOFSKIITRNPCY-UHFFFAOYSA-N 0 2 467.613 2.556 40 70 JFIBLN