smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCSc1cc[nH+]c(C)c1 218601253 573122781 /nfs/dbraw/zinc/12/27/81/573122781.db2.gz GGSLJFQXEGQHRZ-UHFFFAOYSA-N 1 2 181.304 3.282 10 70 AGIELO CCO[NH2+]C1CC(C)(C)CC(C)(C)C1 160442925 344166588 /nfs/dbraw/zinc/16/65/88/344166588.db2.gz HPDZFKIMVVQLKB-UHFFFAOYSA-N 1 2 199.338 3.132 10 70 AGIELO