smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCC[N@H+]1CCC[NH2+]CC1 ZINC000100413831 566877528 /nfs/dbraw/zinc/87/75/28/566877528.db2.gz NGOGDZCYLSHPIB-UHFFFAOYSA-N 2 1 254.462 3.813 40 30 CHEBMP