smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]CCC[NH+]=C1CCCc2cc(N)ccc2N1 ZINC000064447791 205298374 /nfs/dbraw/zinc/29/83/74/205298374.db2.gz XIBGUPYGSITOFI-UHFFFAOYSA-N 3 3 360.550 2.114 1 30 FEEFHP