smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(CN1CCCCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000161388043 402385985 /nfs/dbraw/zinc/38/59/85/402385985.db2.gz FTXITSDGIJDXMS-UHFFFAOYSA-N 2 3 323.525 2.439 20 70 DEIDHP