smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H]1O[C@@H](Nc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008384279	552989189	/nfs/dbraw/zinc/98/91/89/552989189.db2.gz	JAHCWUDIXJOXMR-AEWXESQOSA-N	0	0	530.443	-1.513	50	5		KABARN
O=[N+]([O-])C(CNc1nc(NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])nc(NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])n1)([N+](=O)[O-])[N+](=O)[O-]	ZINC000033354493	553930088	/nfs/dbraw/zinc/93/00/88/553930088.db2.gz	FRLAKDVBKJHGHO-UHFFFAOYSA-N	0	0	615.258	-3.441	50	5		KABARN
O=[N+]([O-])N(COCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])CN(CN(COCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	ZINC000103562442	555449510	/nfs/dbraw/zinc/44/95/10/555449510.db2.gz	ISZOHMLIFYGPHQ-UHFFFAOYSA-N	0	0	596.248	-3.702	50	5		KABARN
O=[N+]([O-])OCCC(CN1CCN(CC(CCO[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])CC1)([N+](=O)[O-])[N+](=O)[O-]	ZINC000109938776	1066206007	/nfs/dbraw/zinc/20/60/07/1066206007.db2.gz	WGCMNMWHQMUIGY-UHFFFAOYSA-N	0	0	500.334	-1.700	50	5		KABARN
O=[N+]([O-])C(F)(COC(OCC(F)([N+](=O)[O-])[N+](=O)[O-])(OCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	ZINC000195767411	1066207749	/nfs/dbraw/zinc/20/77/49/1066207749.db2.gz	OXTSVLSXTUKQMY-UHFFFAOYSA-N	0	0	624.191	-1.629	50	5		KABARN
O=[N+]([O-])N(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(COCC(CN(CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000195793838	571563881	/nfs/dbraw/zinc/56/38/81/571563881.db2.gz	ASJQZAFRJVYFGU-UHFFFAOYSA-N	0	0	674.265	-3.157	50	5		KABARN
O=[N+]([O-])N(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(COCOCC(CN(CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000197907117	571566083	/nfs/dbraw/zinc/56/60/83/571566083.db2.gz	DXPMZHWAAMOSQC-UHFFFAOYSA-N	0	0	704.291	-3.183	50	5		KABARN
O=[N+]([O-])N(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(CN(CC(CN(CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000197990339	571566395	/nfs/dbraw/zinc/56/63/95/571566395.db2.gz	MJNQNJJCEVMGRY-UHFFFAOYSA-N	0	0	718.278	-3.680	50	5		KABARN
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@H](O)[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](OC(=O)CC[N+](=O)[O-])[C@@H]1OC(=O)CC[N+](=O)[O-]	ZINC000238781904	572188220	/nfs/dbraw/zinc/18/82/20/572188220.db2.gz	JMPKPWBLQUWFHQ-XJWTZCLFSA-N	0	0	584.400	-2.351	50	5		KABARN
CC(=O)OC[C@@H]1O[C@H](Nc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000252613264	572268476	/nfs/dbraw/zinc/26/84/76/572268476.db2.gz	JAHCWUDIXJOXMR-IGBMMGQUSA-N	0	0	530.443	-1.513	50	5		KABARN
CC(=O)OC[C@@H]1O[C@H](Nc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000252613265	572268493	/nfs/dbraw/zinc/26/84/93/572268493.db2.gz	JAHCWUDIXJOXMR-NBGIZXCLSA-N	0	0	530.443	-1.513	50	5		KABARN
CC(=O)OC[C@@H]1O[C@H](Nc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000252613266	572268406	/nfs/dbraw/zinc/26/84/06/572268406.db2.gz	JAHCWUDIXJOXMR-VJHAZISPSA-N	0	0	530.443	-1.513	50	5		KABARN
CC(=O)OC[C@@H]1O[C@H](Nc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000252613267	572268463	/nfs/dbraw/zinc/26/84/63/572268463.db2.gz	JAHCWUDIXJOXMR-WIYYGXSFSA-N	0	0	530.443	-1.513	50	5		KABARN