smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cn(CCC(=O)c2ccc(C)cc2)c1C ZINC000159664280 187301627 /nfs/dbraw/zinc/30/16/27/187301627.db2.gz OPPNPALRYIMTNR-UHFFFAOYSA-N 1 1 242.322 3.081 50 70 BGIAMO