smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(=O)[nH]c(CN2CCC[N@H+](Cc3nc(CC)cc(=O)[nH]3)CC2)n1 ZINC000160580650 524920495 /nfs/dbraw/zinc/92/04/95/524920495.db2.gz GJOGECZCQXVHGE-UHFFFAOYSA-N -2 2 372.473 1.511 20 70 FDIDLL