smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCc1cc(=O)[n-]c(-c2cnn(C)c2)n1 ZINC000217789499 174265421 /nfs/dbraw/zinc/26/54/21/174265421.db2.gz NLTVJIHAGCKDRG-UHFFFAOYSA-N -1 1 248.286 1.162 40 70 BDIBMM