smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(CC[NH2+]CCCC[NH2+]CCc2ccc(Cl)cc2)cc1O ZINC000045227083 208327904 /nfs/dbraw/zinc/32/79/04/208327904.db2.gz ONZYHIXNJGLUAE-UHFFFAOYSA-N 2 0 362.901 3.496 1 10 FGCFRP C[C@H]1C[N@H+](CCc2ccccc2)CC[C@H]1N(C(=O)C[N+]#N)c1ccccc1 ZINC000028009597 204872466 /nfs/dbraw/zinc/87/24/66/204872466.db2.gz WCKHIXJEUUOWGC-GHTZIAJQSA-N 2 0 362.477 3.273 1 10 FGCFRP