smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)[nH+]1	ZINC000328973147	569422904	/nfs/dbraw/zinc/42/29/04/569422904.db2.gz	DZJOVYLOAZOEIE-UHFFFAOYSA-N	2	2	406.490	2.871	40	5		HFBBLP
C[NH+](C)CCCNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000329033365	569423801	/nfs/dbraw/zinc/42/38/01/569423801.db2.gz	QTWPBODPFWQNSW-UHFFFAOYSA-N	2	2	406.490	2.871	40	5		HFBBLP
C[NH+](C)CCCNc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccc2)[nH+]1	ZINC000328955358	569422808	/nfs/dbraw/zinc/42/28/08/569422808.db2.gz	ACJULIFPQZYYPV-UHFFFAOYSA-N	2	2	406.490	2.871	40	5		HFBBLP
C[NH+]1CCN(C[C@H]2CC3(CC[NH+](Cc4cccc([N+](=O)[O-])c4Cl)CC3)O2)CC1	ZINC000306142369	568901740	/nfs/dbraw/zinc/90/17/40/568901740.db2.gz	WXJPOYHBPAGJIM-QGZVFWFLSA-N	2	2	408.930	2.619	40	5		HFBBLP
CN1CC[NH+](C[C@H]2CC3(CC[NH+](Cc4cccc([N+](=O)[O-])c4Cl)CC3)O2)CC1	ZINC000306142369	568901741	/nfs/dbraw/zinc/90/17/41/568901741.db2.gz	WXJPOYHBPAGJIM-QGZVFWFLSA-N	2	2	408.930	2.619	40	5		HFBBLP