smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](N[C@H](C)c1sccc1C)c1cccc([N+](=O)[O-])c1	ZINC000090918643	332057089	/nfs/dbraw/zinc/05/70/89/332057089.db2.gz	ZRIPMXRNTKFUDI-DOMZBBRYSA-N	0	3	304.415	4.767	10	5		DJBEHN
CC[C@H](N[C@@H](C)c1sccc1C)c1cccc([N+](=O)[O-])c1	ZINC000090918642	332057148	/nfs/dbraw/zinc/05/71/48/332057148.db2.gz	ZRIPMXRNTKFUDI-WFASDCNBSA-N	0	3	304.415	4.767	10	5		DJBEHN
CC[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1	ZINC000108163506	333007130	/nfs/dbraw/zinc/00/71/30/333007130.db2.gz	KDJJXLIHMFDTLN-LBPRGKRZSA-N	0	3	310.806	4.551	10	5		DJBEHN
CC[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1	ZINC000108163509	333006941	/nfs/dbraw/zinc/00/69/41/333006941.db2.gz	KDJJXLIHMFDTLN-GFCCVEGCSA-N	0	3	310.806	4.551	10	5		DJBEHN
CC[C@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1cccs1	ZINC000049529314	334345308	/nfs/dbraw/zinc/34/53/08/334345308.db2.gz	IOOOEACMXUCHEZ-GJZGRUSLSA-N	0	3	304.415	4.848	10	5		DJBEHN
CC[C@@H](N[C@@H](CC)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000049529315	334345272	/nfs/dbraw/zinc/34/52/72/334345272.db2.gz	IOOOEACMXUCHEZ-CABCVRRESA-N	0	3	304.415	4.848	10	5		DJBEHN
CCC[C@H](N[C@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000020000103	333296118	/nfs/dbraw/zinc/29/61/18/333296118.db2.gz	VKRXKMTVTQCARB-DOMZBBRYSA-N	0	3	304.415	4.848	10	5		DJBEHN
CCC[C@@H](N[C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000020000095	333273384	/nfs/dbraw/zinc/27/33/84/333273384.db2.gz	VKRXKMTVTQCARB-SWLSCSKDSA-N	0	3	304.415	4.848	10	5		DJBEHN
CCC[C@@H](N[C@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000020000101	333296247	/nfs/dbraw/zinc/29/62/47/333296247.db2.gz	VKRXKMTVTQCARB-IUODEOHRSA-N	0	3	304.415	4.848	10	5		DJBEHN
CCC[C@H](N[C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000020000098	333296255	/nfs/dbraw/zinc/29/62/55/333296255.db2.gz	VKRXKMTVTQCARB-WFASDCNBSA-N	0	3	304.415	4.848	10	5		DJBEHN
CC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1cccs1	ZINC000049529316	334345339	/nfs/dbraw/zinc/34/53/39/334345339.db2.gz	IOOOEACMXUCHEZ-LSDHHAIUSA-N	0	3	304.415	4.848	10	5		DJBEHN
CC[C@@H](N[C@H](CC)c1cccc([N+](=O)[O-])c1)c1cccs1	ZINC000049529317	334345279	/nfs/dbraw/zinc/34/52/79/334345279.db2.gz	IOOOEACMXUCHEZ-HUUCEWRRSA-N	0	3	304.415	4.848	10	5		DJBEHN