smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCN1CCCCc2cc(NC(=[NH2+])c3cccs3)ccc21 ZINC000084605007 217620630 /nfs/dbraw/zinc/62/06/30/217620630.db2.gz XXFKDMTZCZDTMA-UHFFFAOYSA-N 2 1 328.485 3.147 1 30 EGEFMP