smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(C[NH+]1CCCCC1)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000160747885 337383405 /nfs/dbraw/zinc/38/34/05/337383405.db2.gz JNANMQDAKQTDHT-UHFFFAOYSA-N 2 1 308.510 3.676 50 70 DHIAMP