smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C(NCN1CC[NH2+]CC1)C(=S)NCN1CC[NH2+]CC1 ZINC000022859747 526389001 /nfs/dbraw/zinc/38/90/01/526389001.db2.gz KLYDKATVWYEPIP-UHFFFAOYSA-N 2 0 316.500 -0.632 40 30 DBEBRP