smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(C(C)C)c2c(c1)C(C)(C)CCC2 ZINC000103190681 167569826 /nfs/dbraw/zinc/56/98/26/167569826.db2.gz MHTPOHCMKHDFOH-UHFFFAOYSA-N 0 2 244.422 5.547 1 0 BKAFLN